smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000426525981 533821305 /nfs/dbraw/zinc/82/13/05/533821305.db2.gz SWYHZUTVVMQOAS-QWHCGFSZSA-N 1 0 276.336 2.978 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCc2cn(C)cn2)cccc1[N+](=O)[O-] ZINC000414120081 533942527 /nfs/dbraw/zinc/94/25/27/533942527.db2.gz AMDRMCLKEBCFHT-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1c([C@@H](C)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000423529359 533944068 /nfs/dbraw/zinc/94/40/68/533944068.db2.gz PVBNMXGMLZMMOT-GFCCVEGCSA-N 1 0 277.368 2.696 20 5 CFBDRO CS[C@@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000425362941 534001103 /nfs/dbraw/zinc/00/11/03/534001103.db2.gz VZEOLSAPUXEULX-CHWSQXEVSA-N 1 0 266.366 2.621 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414509398 534064257 /nfs/dbraw/zinc/06/42/57/534064257.db2.gz CJCWJSNNHYKUAN-SCRDCRAPSA-N 1 0 278.352 2.806 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)n1 ZINC000413345837 534326151 /nfs/dbraw/zinc/32/61/51/534326151.db2.gz GPQJXDSWXVAOSY-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000305721129 519836095 /nfs/dbraw/zinc/83/60/95/519836095.db2.gz BJUWHHVJRXJDKK-ZDUSSCGKSA-N 1 0 278.352 2.675 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000172955784 520644819 /nfs/dbraw/zinc/64/48/19/520644819.db2.gz XGVXKZSRNOYAON-TXEJJXNPSA-N 1 0 276.336 2.561 20 5 CFBDRO CCOc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000300174147 520753395 /nfs/dbraw/zinc/75/33/95/520753395.db2.gz CGSKPULXEATLAI-AAEUAGOBSA-N 1 0 293.367 2.557 20 5 CFBDRO CCOc1cc(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000360114698 520762275 /nfs/dbraw/zinc/76/22/75/520762275.db2.gz IINMYRBMRKFICH-UHFFFAOYSA-N 1 0 291.351 2.667 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000341552224 520859793 /nfs/dbraw/zinc/85/97/93/520859793.db2.gz SPRKKZMRGIMRLO-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000075757158 520860084 /nfs/dbraw/zinc/86/00/84/520860084.db2.gz CWORDBNLUSQFEQ-CYBMUJFWSA-N 1 0 279.384 2.723 20 5 CFBDRO CCC[C@H]([NH2+]C[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224460674 521158034 /nfs/dbraw/zinc/15/80/34/521158034.db2.gz YJKXMAKKEREVBB-NWDGAFQWSA-N 1 0 288.294 2.652 20 5 CFBDRO CCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341033274 521162169 /nfs/dbraw/zinc/16/21/69/521162169.db2.gz FURCRFPVHYHNSP-ZDUSSCGKSA-N 1 0 288.351 2.959 20 5 CFBDRO CC[NH+]1CCC(CCNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178239228 521549246 /nfs/dbraw/zinc/54/92/46/521549246.db2.gz RRXRIUMWIMDBHN-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000233496251 521658815 /nfs/dbraw/zinc/65/88/15/521658815.db2.gz HZNZLUPGGHORHF-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245466706 521878798 /nfs/dbraw/zinc/87/87/98/521878798.db2.gz RMIAAHLDSJYDAB-WDMOLILDSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159099507 522165375 /nfs/dbraw/zinc/16/53/75/522165375.db2.gz SEKIZRAXTXSPOM-CABCVRRESA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H]([NH2+]CCSC)c1cccc([N+](=O)[O-])c1 ZINC000069431009 522839866 /nfs/dbraw/zinc/83/98/66/522839866.db2.gz NDGJBPJHNNBGIW-GFCCVEGCSA-N 1 0 254.355 2.999 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000070360833 523404916 /nfs/dbraw/zinc/40/49/16/523404916.db2.gz KWTCPZCACICVCQ-OLZOCXBDSA-N 1 0 264.325 2.642 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000341264736 523629305 /nfs/dbraw/zinc/62/93/05/523629305.db2.gz PZWKOQLNMHQVQL-GHMZBOCLSA-N 1 0 270.354 2.561 20 5 CFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000072926568 523811051 /nfs/dbraw/zinc/81/10/51/523811051.db2.gz QWUJAOGLRMHPEO-HIFRSBDPSA-N 1 0 278.352 2.888 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000220301325 523923449 /nfs/dbraw/zinc/92/34/49/523923449.db2.gz GTUPGTPTZBKKLE-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO C[NH+](C)C1(CNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000061555336 524037063 /nfs/dbraw/zinc/03/70/63/524037063.db2.gz YAQCLYRFVRAZTR-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248358401 524290290 /nfs/dbraw/zinc/29/02/90/524290290.db2.gz QSTVUNCGAJUJCI-RYUDHWBXSA-N 1 0 264.325 2.704 20 5 CFBDRO C[C@H](CO)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000340104022 524522535 /nfs/dbraw/zinc/52/25/35/524522535.db2.gz IBNODMSLCQYOOU-UJZCVKTISA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000227372376 524580111 /nfs/dbraw/zinc/58/01/11/524580111.db2.gz VCKZRIGBDLQGLI-CYBMUJFWSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1cccc(NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000338682142 524680198 /nfs/dbraw/zinc/68/01/98/524680198.db2.gz WJAHTWUITVNVBK-AWEZNQCLSA-N 1 0 295.408 2.752 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361155519 524917649 /nfs/dbraw/zinc/91/76/49/524917649.db2.gz UJNUEFITCQXQMN-RTIZMKJZSA-N 1 0 289.379 2.632 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173493000 524954470 /nfs/dbraw/zinc/95/44/70/524954470.db2.gz NZFJUCVOPVEUMX-LBPRGKRZSA-N 1 0 294.351 2.714 20 5 CFBDRO CC(=O)c1cc(NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000342087325 534823847 /nfs/dbraw/zinc/82/38/47/534823847.db2.gz BEWCLQXDWODICH-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000310874459 525000268 /nfs/dbraw/zinc/00/02/68/525000268.db2.gz UDMJJIOJPQXRDO-NXEZZACHSA-N 1 0 252.289 2.822 20 5 CFBDRO Cc1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000062075975 525274787 /nfs/dbraw/zinc/27/47/87/525274787.db2.gz LBUYSYNRRLOOAY-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO C[C@H]([NH2+]CCn1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000312930231 525376814 /nfs/dbraw/zinc/37/68/14/525376814.db2.gz FIQZUDLQSLBAAE-JTQLQIEISA-N 1 0 294.742 2.796 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000338646560 525451412 /nfs/dbraw/zinc/45/14/12/525451412.db2.gz IGMIZSFNTJTLQN-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO Cc1c(C[NH2+][C@@]2(C)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000300422726 525728698 /nfs/dbraw/zinc/72/86/98/525728698.db2.gz JWIHZILNIIHGHG-FZMZJTMJSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000305195436 525893197 /nfs/dbraw/zinc/89/31/97/525893197.db2.gz ZEKPBBPKYROVJK-IUODEOHRSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000305195433 525894181 /nfs/dbraw/zinc/89/41/81/525894181.db2.gz ZEKPBBPKYROVJK-DOMZBBRYSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1cnc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000360107973 526091041 /nfs/dbraw/zinc/09/10/41/526091041.db2.gz NLALZHROBZHHQP-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO COc1cccc(N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000312692466 526211680 /nfs/dbraw/zinc/21/16/80/526211680.db2.gz ONQVAGVSDGRHOI-NSHDSACASA-N 1 0 281.356 2.744 20 5 CFBDRO CC(C)(C)[NH2+]CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414673204 526327329 /nfs/dbraw/zinc/32/73/29/526327329.db2.gz ISVUUGVNUCSYRN-UHFFFAOYSA-N 1 0 291.395 2.947 20 5 CFBDRO CC(C)(CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192916903 527056115 /nfs/dbraw/zinc/05/61/15/527056115.db2.gz VFOSQWHDIHFTNO-OAHLLOKOSA-N 1 0 292.379 2.970 20 5 CFBDRO CC(=O)c1ccc(NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000413361479 527315654 /nfs/dbraw/zinc/31/56/54/527315654.db2.gz OJRANQOPCLTDRT-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000230147389 527350581 /nfs/dbraw/zinc/35/05/81/527350581.db2.gz RNFTYCWKEYXJBK-UONOGXRCSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312816 527352522 /nfs/dbraw/zinc/35/25/22/527352522.db2.gz OFMQETPPWKXKPY-AWEZNQCLSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428078030 527364267 /nfs/dbraw/zinc/36/42/67/527364267.db2.gz QKZJZAWXNUTYTQ-GTBONMDNSA-N 1 0 290.363 2.843 20 5 CFBDRO [NH3+][C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000262079686 527374107 /nfs/dbraw/zinc/37/41/07/527374107.db2.gz XMOCAXOLTFYTQF-JKSUJKDBSA-N 1 0 297.358 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000365157826 527385952 /nfs/dbraw/zinc/38/59/52/527385952.db2.gz ABPUVPFOVDUVAV-UHFFFAOYSA-N 1 0 286.335 2.628 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364806830 527386556 /nfs/dbraw/zinc/38/65/56/527386556.db2.gz WSTKUFASPCKHPU-MRXNPFEDSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000062351277 527394109 /nfs/dbraw/zinc/39/41/09/527394109.db2.gz COCPRXXFTQSDMN-QGZVFWFLSA-N 1 0 298.342 2.687 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCSCC1 ZINC000048068921 527400905 /nfs/dbraw/zinc/40/09/05/527400905.db2.gz DMNGHFIYJCNRTG-UHFFFAOYSA-N 1 0 252.339 2.580 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000310705607 527401103 /nfs/dbraw/zinc/40/11/03/527401103.db2.gz CNRNFQJAOKFRNG-NSHDSACASA-N 1 0 266.366 2.828 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC2)CC1 ZINC000366626733 527404341 /nfs/dbraw/zinc/40/43/41/527404341.db2.gz CGQANISPIMPOHP-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCF)n1 ZINC000361002978 527407827 /nfs/dbraw/zinc/40/78/27/527407827.db2.gz MOIZEBGSKSWOLG-NEPJUHHUSA-N 1 0 284.335 2.614 20 5 CFBDRO CC(C)c1ccc(CNC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414785505 528100068 /nfs/dbraw/zinc/10/00/68/528100068.db2.gz JEUGPXJEVCUGEN-UHFFFAOYSA-N 1 0 277.368 2.560 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000414145185 528102150 /nfs/dbraw/zinc/10/21/50/528102150.db2.gz NUESYFBGVGXLQY-VHRBIJSZSA-N 1 0 264.325 2.813 20 5 CFBDRO CCC[C@H](N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283829 528240719 /nfs/dbraw/zinc/24/07/19/528240719.db2.gz WJCLEXUBNHUYJE-LSDHHAIUSA-N 1 0 277.368 2.763 20 5 CFBDRO CC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414830427 528329442 /nfs/dbraw/zinc/32/94/42/528329442.db2.gz NZTVPRLXRIWENM-UHFFFAOYSA-N 1 0 289.335 2.554 20 5 CFBDRO CCNCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847520 528332970 /nfs/dbraw/zinc/33/29/70/528332970.db2.gz OWAVEXIBXCIJES-UKRRQHHQSA-N 1 0 291.395 2.505 20 5 CFBDRO CC[NH2+]CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250252 528333003 /nfs/dbraw/zinc/33/30/03/528333003.db2.gz UBKSACDDKIXFQD-KRWDZBQOSA-N 1 0 299.374 2.883 20 5 CFBDRO CC[NH2+]CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250254 528335424 /nfs/dbraw/zinc/33/54/24/528335424.db2.gz UBKSACDDKIXFQD-QGZVFWFLSA-N 1 0 299.374 2.883 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413303789 528359139 /nfs/dbraw/zinc/35/91/39/528359139.db2.gz QSXGIINZZVPGJM-JTQLQIEISA-N 1 0 284.335 2.661 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000425251142 528443148 /nfs/dbraw/zinc/44/31/48/528443148.db2.gz DUGBKNFOKZNNHY-UHFFFAOYSA-N 1 0 299.346 2.521 20 5 CFBDRO CCC[NH2+]CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423316059 528512643 /nfs/dbraw/zinc/51/26/43/528512643.db2.gz XVHGWKUWGQMVIS-LBPRGKRZSA-N 1 0 265.357 2.553 20 5 CFBDRO CCC[C@@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423281236 529004888 /nfs/dbraw/zinc/00/48/88/529004888.db2.gz BACOWJSRCALURC-CYBMUJFWSA-N 1 0 265.357 2.763 20 5 CFBDRO CCC[C@@H](NCC[NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000423253741 529007459 /nfs/dbraw/zinc/00/74/59/529007459.db2.gz ZNXZMNDOAYSQJM-CQSZACIVSA-N 1 0 265.357 2.635 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000417988685 529139378 /nfs/dbraw/zinc/13/93/78/529139378.db2.gz PVQKLRIDMYYFJV-GFCCVEGCSA-N 1 0 298.770 2.948 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449785927 535224746 /nfs/dbraw/zinc/22/47/46/535224746.db2.gz JYBLRBOZOVYYOI-CQSZACIVSA-N 1 0 295.358 2.648 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000459458597 535508464 /nfs/dbraw/zinc/50/84/64/535508464.db2.gz FKVDREXOLGAISE-BFHYXJOUSA-N 1 0 296.392 2.593 20 5 CFBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000443489840 535524059 /nfs/dbraw/zinc/52/40/59/535524059.db2.gz MSSZEXJYWGCNAM-UHFFFAOYSA-N 1 0 294.399 2.794 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000744410270 574072775 /nfs/dbraw/zinc/07/27/75/574072775.db2.gz YNXRHZITGVFFSO-UHFFFAOYSA-N 1 0 291.351 2.634 20 5 CFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000754539287 574101356 /nfs/dbraw/zinc/10/13/56/574101356.db2.gz NVIAMBWPUZLKBO-GXFFZTMASA-N 1 0 292.335 2.587 20 5 CFBDRO COC(=O)C[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000754539291 574107055 /nfs/dbraw/zinc/10/70/55/574107055.db2.gz NVIAMBWPUZLKBO-MFKMUULPSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000747211451 574187551 /nfs/dbraw/zinc/18/75/51/574187551.db2.gz BESFWMJCOXAGIH-ZDUSSCGKSA-N 1 0 277.368 2.870 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccc(F)n1 ZINC000747938906 574221528 /nfs/dbraw/zinc/22/15/28/574221528.db2.gz PZXXRROGFBORPB-XQRVVYSFSA-N 1 0 287.294 2.932 20 5 CFBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000749393072 574292964 /nfs/dbraw/zinc/29/29/64/574292964.db2.gz VGAZQTOOJIUPKQ-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2F)c1 ZINC000749645207 574304259 /nfs/dbraw/zinc/30/42/59/574304259.db2.gz HOZAXQIFSCWDRI-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO Cc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749670270 574304456 /nfs/dbraw/zinc/30/44/56/574304456.db2.gz KCCSEFPEFNLYOH-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749668837 574304507 /nfs/dbraw/zinc/30/45/07/574304507.db2.gz ALKDVKLIQCXALP-ZLDLUXBVSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954844 574317759 /nfs/dbraw/zinc/31/77/59/574317759.db2.gz ZRYQDHBQMPRXPK-SNVBAGLBSA-N 1 0 291.355 2.583 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095492 574324023 /nfs/dbraw/zinc/32/40/23/574324023.db2.gz ZCJXVTIHTBZHDM-UKRRQHHQSA-N 1 0 278.352 2.606 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000752922469 574396451 /nfs/dbraw/zinc/39/64/51/574396451.db2.gz GHVLMICOZUZMHQ-HNNXBMFYSA-N 1 0 290.363 2.941 20 5 CFBDRO CC[C@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121251191 617609178 /nfs/dbraw/zinc/60/91/78/617609178.db2.gz WHOAVTNTFUQTGM-LBPRGKRZSA-N 1 0 288.351 2.942 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932348537 617679183 /nfs/dbraw/zinc/67/91/83/617679183.db2.gz GNDHEGYWVXCRIR-NWDGAFQWSA-N 1 0 264.325 2.767 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000891604815 617683851 /nfs/dbraw/zinc/68/38/51/617683851.db2.gz PZVHRIXLZZUHIF-SNVBAGLBSA-N 1 0 282.340 2.785 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000891863079 617791205 /nfs/dbraw/zinc/79/12/05/617791205.db2.gz ULOVEZYERZMWBB-QWRGUYRKSA-N 1 0 294.351 2.929 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933913202 617815106 /nfs/dbraw/zinc/81/51/06/617815106.db2.gz RPCDSLQBNRJAQI-ZDUSSCGKSA-N 1 0 293.392 2.707 20 5 CFBDRO Cc1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804813218 617895825 /nfs/dbraw/zinc/89/58/25/617895825.db2.gz PSOCSVXFKLYIGC-KBPBESRZSA-N 1 0 289.379 2.966 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892066274 617934355 /nfs/dbraw/zinc/93/43/55/617934355.db2.gz TUYKISXJSJGUBM-MNOVXSKESA-N 1 0 294.351 2.787 20 5 CFBDRO C[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000158667130 618076265 /nfs/dbraw/zinc/07/62/65/618076265.db2.gz WRXOHLNADAEBEV-ZIAGYGMSSA-N 1 0 296.392 2.504 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C[NH3+] ZINC000261935813 618114387 /nfs/dbraw/zinc/11/43/87/618114387.db2.gz MAHSBRBJCWJHLP-QMTHXVAHSA-N 1 0 297.786 2.807 20 5 CFBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000052345276 618156673 /nfs/dbraw/zinc/15/66/73/618156673.db2.gz JQHNORRPDGXNAM-UHFFFAOYSA-N 1 0 270.292 2.731 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632776 618208646 /nfs/dbraw/zinc/20/86/46/618208646.db2.gz YXWQOGSYJYSWJA-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO CCC[NH+](CCC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891449205 618213881 /nfs/dbraw/zinc/21/38/81/618213881.db2.gz ODAQEIJIXDJMHM-UHFFFAOYSA-N 1 0 282.340 2.931 20 5 CFBDRO CCC(CC)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000053070584 618214403 /nfs/dbraw/zinc/21/44/03/618214403.db2.gz XROGGOQCGCQUKI-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO CC[N@H+]1[C@H](C)CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895099535 618291935 /nfs/dbraw/zinc/29/19/35/618291935.db2.gz IUPWSHXPCDYWID-AOOOYVTPSA-N 1 0 298.774 2.562 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CSCCS2)cc1 ZINC000229599253 618351179 /nfs/dbraw/zinc/35/11/79/618351179.db2.gz GEFXBVAELPNQDU-ZDUSSCGKSA-N 1 0 298.433 2.576 20 5 CFBDRO CC(C)[NH2+]Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396823 620805149 /nfs/dbraw/zinc/80/51/49/620805149.db2.gz ZJIWNPOGSVMRHN-UHFFFAOYSA-N 1 0 261.281 2.748 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000895186500 618449173 /nfs/dbraw/zinc/44/91/73/618449173.db2.gz WOPZQFLVUHNRPU-UHFFFAOYSA-N 1 0 292.335 2.731 20 5 CFBDRO Cc1cc(N2CC[C@@H](CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895328199 618534731 /nfs/dbraw/zinc/53/47/31/618534731.db2.gz FIEAMYQKULTEPU-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CSC1 ZINC000895423766 618583376 /nfs/dbraw/zinc/58/33/76/618583376.db2.gz DGLZCZZSRUTWRO-UHFFFAOYSA-N 1 0 266.366 2.664 20 5 CFBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnc1F ZINC000892936678 618773745 /nfs/dbraw/zinc/77/37/45/618773745.db2.gz KHIXBQPJVQPSLX-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO C[C@H]([NH3+])[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516136 618855166 /nfs/dbraw/zinc/85/51/66/618855166.db2.gz VOZQLPZZYGCFQW-GUYCJALGSA-N 1 0 299.374 2.815 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587262 618932047 /nfs/dbraw/zinc/93/20/47/618932047.db2.gz VPEDVQLJDUGYOS-WDMOLILDSA-N 1 0 264.325 2.501 20 5 CFBDRO COc1cccc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2(C)C)c1 ZINC000931688089 619087500 /nfs/dbraw/zinc/08/75/00/619087500.db2.gz CLOQODDXBQFPOF-AWEZNQCLSA-N 1 0 278.352 2.540 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C)CCC2CC2)c1[N+](=O)[O-] ZINC000893648511 619144092 /nfs/dbraw/zinc/14/40/92/619144092.db2.gz HYHTZYDICMQWMF-SNVBAGLBSA-N 1 0 294.351 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1Cl ZINC000840978047 619207303 /nfs/dbraw/zinc/20/73/03/619207303.db2.gz KYNFPYGNGGXFBR-VXGBXAGGSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1ncoc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894418992 619379344 /nfs/dbraw/zinc/37/93/44/619379344.db2.gz DVRASSLNYSNOMP-UHFFFAOYSA-N 1 0 295.726 2.877 20 5 CFBDRO CCNc1cc(CNc2nc(C)ccc2[N+](=O)[O-])ccn1 ZINC000894873241 619492923 /nfs/dbraw/zinc/49/29/23/619492923.db2.gz OPZVVWQTSLKRLA-UHFFFAOYSA-N 1 0 287.323 2.737 20 5 CFBDRO CC1(C)C[C@@]1(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895535529 619549851 /nfs/dbraw/zinc/54/98/51/619549851.db2.gz VDFHTLXGACTMPK-MGULZYLOSA-N 1 0 278.356 2.521 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738279 619598015 /nfs/dbraw/zinc/59/80/15/619598015.db2.gz UKJPBPJHQJIYFK-MFKMUULPSA-N 1 0 286.335 2.648 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@@H]3C[C@H]3C3CC3)C2)c1 ZINC000896263436 619706526 /nfs/dbraw/zinc/70/65/26/619706526.db2.gz ZIYDCLBBTSNPPP-LPXQKFACSA-N 1 0 290.367 2.521 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000896510134 619747090 /nfs/dbraw/zinc/74/70/90/619747090.db2.gz LJFKJGFBFSDYTB-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H](CNc1cc[nH+]c(CO)c1)c1ccccc1[N+](=O)[O-] ZINC000896793398 619820018 /nfs/dbraw/zinc/82/00/18/619820018.db2.gz HOQSMPUXXGFTRK-NSHDSACASA-N 1 0 287.319 2.698 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCC1(OC)OC)c1cccc([N+](=O)[O-])c1 ZINC000925229801 620050769 /nfs/dbraw/zinc/05/07/69/620050769.db2.gz INZBUQSWPHWKNF-KGLIPLIRSA-N 1 0 294.351 2.787 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897458970 620176244 /nfs/dbraw/zinc/17/62/44/620176244.db2.gz GVDSDATYQVDHRR-OLZOCXBDSA-N 1 0 290.363 3.000 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000897461393 620176624 /nfs/dbraw/zinc/17/66/24/620176624.db2.gz OAEXITUANHFCNX-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000897460854 620176866 /nfs/dbraw/zinc/17/68/66/620176866.db2.gz KAZIJMVAHAKXRT-NSHDSACASA-N 1 0 287.319 2.589 20 5 CFBDRO Cc1nocc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464821 620177133 /nfs/dbraw/zinc/17/71/33/620177133.db2.gz PADIOHZQTCQESC-SNVBAGLBSA-N 1 0 275.308 2.785 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000897514605 620200507 /nfs/dbraw/zinc/20/05/07/620200507.db2.gz URJUTPZRKOBHSP-ZBFHGGJFSA-N 1 0 290.363 2.950 20 5 CFBDRO CC(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000897683585 620271180 /nfs/dbraw/zinc/27/11/80/620271180.db2.gz FDZLNMQYDGKCBZ-NHYWBVRUSA-N 1 0 278.352 2.531 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898378041 620376446 /nfs/dbraw/zinc/37/64/46/620376446.db2.gz ZEMIIPBWYALNBJ-LSDHHAIUSA-N 1 0 290.363 2.726 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898375285 620377211 /nfs/dbraw/zinc/37/72/11/620377211.db2.gz CPHNXEUBKLLYPL-SOUVJXGZSA-N 1 0 288.347 2.597 20 5 CFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565053 625417229 /nfs/dbraw/zinc/41/72/29/625417229.db2.gz NGIKUIUUUAWWNS-BXUZGUMPSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])C(C)C)no1 ZINC000041123315 620430576 /nfs/dbraw/zinc/43/05/76/620430576.db2.gz OEYRGJFPYKKRBW-LLVKDONJSA-N 1 0 276.296 2.609 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000927146159 620492456 /nfs/dbraw/zinc/49/24/56/620492456.db2.gz CIBPPVJEAUEXLM-PGUXBMHVSA-N 1 0 290.363 2.678 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnn(CCC[NH2+]C3CC3)c2)c1 ZINC000899629414 620588532 /nfs/dbraw/zinc/58/85/32/620588532.db2.gz FCKFDNPUAHYSDJ-UHFFFAOYSA-N 1 0 286.335 2.600 20 5 CFBDRO CCN(CC)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000899859691 620606429 /nfs/dbraw/zinc/60/64/29/620606429.db2.gz MNKKQUFDCCGLNX-AWEZNQCLSA-N 1 0 299.802 2.589 20 5 CFBDRO Cc1cc(OCc2cccnc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000902419823 621073023 /nfs/dbraw/zinc/07/30/23/621073023.db2.gz WVBWKTZYWMRUJR-UHFFFAOYSA-N 1 0 273.292 2.889 20 5 CFBDRO C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431175 621077065 /nfs/dbraw/zinc/07/70/65/621077065.db2.gz SCVYAFLXINTSSC-IUODEOHRSA-N 1 0 289.379 2.573 20 5 CFBDRO C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432730 621078260 /nfs/dbraw/zinc/07/82/60/621078260.db2.gz XAMDMSRMMSPFIP-VNHYZAJKSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC1(C)C ZINC000902450489 621091304 /nfs/dbraw/zinc/09/13/04/621091304.db2.gz SPCASIOEQQOZPA-IUODEOHRSA-N 1 0 291.395 2.504 20 5 CFBDRO O=[N+]([O-])c1cc(F)cc(F)c1OCC[NH+]1CCCCC1 ZINC000902696891 621149170 /nfs/dbraw/zinc/14/91/70/621149170.db2.gz KHKXLRTZVDJAEP-UHFFFAOYSA-N 1 0 286.278 2.738 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903078286 621244227 /nfs/dbraw/zinc/24/42/27/621244227.db2.gz FIRJWQQJJRYYPM-GHMZBOCLSA-N 1 0 282.340 2.537 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc([N+](=O)[O-])c1 ZINC000903105824 621255220 /nfs/dbraw/zinc/25/52/20/621255220.db2.gz UTJJKBKYLUSNIZ-LLVKDONJSA-N 1 0 289.335 2.793 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000903126529 621262517 /nfs/dbraw/zinc/26/25/17/621262517.db2.gz DACBKNPBRKETGP-BONVTDFDSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCC[C@@H](C)CO)cc([N+](=O)[O-])c1 ZINC000903129890 621263371 /nfs/dbraw/zinc/26/33/71/621263371.db2.gz JIHRSHBLLZROCI-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[C@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903177677 621275603 /nfs/dbraw/zinc/27/56/03/621275603.db2.gz RBVJHMRUHLIWFV-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903179221 621276282 /nfs/dbraw/zinc/27/62/82/621276282.db2.gz OFOLOBFCJUAXGU-WDEREUQCSA-N 1 0 296.367 2.804 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244897 621295686 /nfs/dbraw/zinc/29/56/86/621295686.db2.gz GANZQELFROWEQX-YRGRVCCFSA-N 1 0 278.352 2.713 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244894 621295783 /nfs/dbraw/zinc/29/57/83/621295783.db2.gz GANZQELFROWEQX-BZPMIXESSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000903244913 621295846 /nfs/dbraw/zinc/29/58/46/621295846.db2.gz GGDPASKDRORHQM-VXGBXAGGSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245459 621296354 /nfs/dbraw/zinc/29/63/54/621296354.db2.gz MHPRUPRZBRZAPN-NWDGAFQWSA-N 1 0 288.351 2.783 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903247191 621305204 /nfs/dbraw/zinc/30/52/04/621305204.db2.gz ZTTIODDZSDLLNS-OSAQELSMSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000903299797 621314700 /nfs/dbraw/zinc/31/47/00/621314700.db2.gz DZEBFXWXBIXVPU-RLCCDNCMSA-N 1 0 289.379 2.654 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287949 621318980 /nfs/dbraw/zinc/31/89/80/621318980.db2.gz UJIRTFZIOFBGBM-BZPMIXESSA-N 1 0 289.379 2.871 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903289503 621320270 /nfs/dbraw/zinc/32/02/70/621320270.db2.gz RWIFRMLTOBXFIB-LAMGADJJSA-N 1 0 288.347 2.730 20 5 CFBDRO CC[C@@H]([NH2+]C1CC(CCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000903328591 621340179 /nfs/dbraw/zinc/34/01/79/621340179.db2.gz MLMPBPZYNGLUQH-ABIUDSBCSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C2CC(CCO)C2)cccc1[N+](=O)[O-] ZINC000903331718 621341967 /nfs/dbraw/zinc/34/19/67/621341967.db2.gz YQUFUNOZMQHUMV-PNESKVBLSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H](O)C1CC1)CCC2 ZINC000903408553 621364072 /nfs/dbraw/zinc/36/40/72/621364072.db2.gz SKJDXEHPCYZNLZ-CVEARBPZSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903411466 621365360 /nfs/dbraw/zinc/36/53/60/621365360.db2.gz OJQYNXLIWFNSBQ-NOZJJQNGSA-N 1 0 282.315 2.546 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000903437928 621375248 /nfs/dbraw/zinc/37/52/48/621375248.db2.gz RJNBBMKLDDDQSX-XZJROXQQSA-N 1 0 290.363 2.979 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000903470890 621389215 /nfs/dbraw/zinc/38/92/15/621389215.db2.gz PCULLJJFKUAHDY-ZDUSSCGKSA-N 1 0 295.770 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@]23CC[NH2+]C3)c1 ZINC000903867703 621454135 /nfs/dbraw/zinc/45/41/35/621454135.db2.gz SGFQHVCCXBPGDV-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO [NH3+][C@H](CC(F)F)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903884394 621463920 /nfs/dbraw/zinc/46/39/20/621463920.db2.gz YRJOADOZJHAMGG-LLVKDONJSA-N 1 0 299.321 2.542 20 5 CFBDRO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988025 621499679 /nfs/dbraw/zinc/49/96/79/621499679.db2.gz MSBCVIYAKMJYLS-DYEKYZERSA-N 1 0 277.368 2.776 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000905081662 621691825 /nfs/dbraw/zinc/69/18/25/621691825.db2.gz JJRYWECYJDQEIB-UHFFFAOYSA-N 1 0 268.744 2.628 20 5 CFBDRO C[C@H]([NH2+]C1(CNCC[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000905115095 621702880 /nfs/dbraw/zinc/70/28/80/621702880.db2.gz YLPOSVWNDOATMG-AWEZNQCLSA-N 1 0 291.395 2.516 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000905155687 621705528 /nfs/dbraw/zinc/70/55/28/621705528.db2.gz QLLFYQUEIXCQTJ-KRWDZBQOSA-N 1 0 284.359 2.879 20 5 CFBDRO CC(C)C[C@H](CNCC[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000905294866 621733769 /nfs/dbraw/zinc/73/37/69/621733769.db2.gz LXEHFUQBLGKLNJ-GOEBONIOSA-N 1 0 293.411 2.618 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCCCCCc1ccccc1 ZINC000905391163 621757092 /nfs/dbraw/zinc/75/70/92/621757092.db2.gz URUFSZSCOPSSBH-UHFFFAOYSA-N 1 0 250.342 2.656 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@]23C[C@@H]2CCCC3)c1 ZINC000905510260 621783509 /nfs/dbraw/zinc/78/35/09/621783509.db2.gz SRSLEZVQZMWSDH-NUEKZKHPSA-N 1 0 290.363 2.798 20 5 CFBDRO Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)cc1[N+](=O)[O-] ZINC000906171642 621943410 /nfs/dbraw/zinc/94/34/10/621943410.db2.gz CBBSLHKPPYZLPH-CYBMUJFWSA-N 1 0 298.346 2.827 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000183887535 625554999 /nfs/dbraw/zinc/55/49/99/625554999.db2.gz YZROFSXDAVGEMK-GFCCVEGCSA-N 1 0 294.351 2.707 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000222763344 622968339 /nfs/dbraw/zinc/96/83/39/622968339.db2.gz RLYSBEVTQRCBDB-SRVKXCTJSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c(C[NH2+]CC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000223890106 622995334 /nfs/dbraw/zinc/99/53/34/622995334.db2.gz HXDRUWAEJPMTKM-AWEZNQCLSA-N 1 0 278.352 2.952 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000045704820 623013934 /nfs/dbraw/zinc/01/39/34/623013934.db2.gz WXVYMSCTJKTSAH-GFCCVEGCSA-N 1 0 279.384 2.723 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000225588806 623045650 /nfs/dbraw/zinc/04/56/50/623045650.db2.gz XHTYNXHOWHBSFU-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2=CCCC2)cc1 ZINC000228670943 623155873 /nfs/dbraw/zinc/15/58/73/623155873.db2.gz IWOVVPFOKLGPOZ-HNNXBMFYSA-N 1 0 276.336 2.718 20 5 CFBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388082 623344904 /nfs/dbraw/zinc/34/49/04/623344904.db2.gz IMYUSFVQJGUGGB-RYUDHWBXSA-N 1 0 266.345 2.649 20 5 CFBDRO CC1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173438365 623350501 /nfs/dbraw/zinc/35/05/01/623350501.db2.gz ZTHZFHUCTNCDSQ-UHFFFAOYSA-N 1 0 274.324 2.634 20 5 CFBDRO CC(C)C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000232671247 623453186 /nfs/dbraw/zinc/45/31/86/623453186.db2.gz MYQVEGNSTHYLIM-CQSZACIVSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824514618 623514867 /nfs/dbraw/zinc/51/48/67/623514867.db2.gz ABFKSVQLLSJEBQ-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635570 623536182 /nfs/dbraw/zinc/53/61/82/623536182.db2.gz IGBQLNBTBVFSOH-DGCLKSJQSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914432819 623847186 /nfs/dbraw/zinc/84/71/86/623847186.db2.gz FLOMZUDUMMDCCE-ACYLFWIKSA-N 1 0 288.347 2.623 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914432822 623847534 /nfs/dbraw/zinc/84/75/34/623847534.db2.gz FLOMZUDUMMDCCE-UJOCRUBTSA-N 1 0 288.347 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914433159 623847942 /nfs/dbraw/zinc/84/79/42/623847942.db2.gz LAWNDWHKPWURAQ-OLZOCXBDSA-N 1 0 296.754 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1Cl ZINC000914435342 623853852 /nfs/dbraw/zinc/85/38/52/623853852.db2.gz BQEDHJZQLGWIQQ-AAEUAGOBSA-N 1 0 296.754 2.763 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000929859946 623977116 /nfs/dbraw/zinc/97/71/16/623977116.db2.gz CMFJERMQMJFOJM-MRXNPFEDSA-N 1 0 270.332 2.837 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000915208020 623998599 /nfs/dbraw/zinc/99/85/99/623998599.db2.gz BKKYWBVHVMKFEI-NSHDSACASA-N 1 0 276.340 2.878 20 5 CFBDRO CCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827519948 624021699 /nfs/dbraw/zinc/02/16/99/624021699.db2.gz XIPBXGSRUVULNS-LBPRGKRZSA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721428 624142504 /nfs/dbraw/zinc/14/25/04/624142504.db2.gz HYDVUINRNCTFLW-GXFFZTMASA-N 1 0 297.786 2.821 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CSc1ccc([N+](=O)[O-])cc1F ZINC000917476075 624345190 /nfs/dbraw/zinc/34/51/90/624345190.db2.gz FHEXWEQFDQIWSP-JTQLQIEISA-N 1 0 270.329 2.920 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829125557 624378197 /nfs/dbraw/zinc/37/81/97/624378197.db2.gz AEFZZZDGDZTFIT-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000829121668 624378218 /nfs/dbraw/zinc/37/82/18/624378218.db2.gz VNDMRIKZELEFRM-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO COc1cc(OCCCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000830389398 624728823 /nfs/dbraw/zinc/72/88/23/624728823.db2.gz OHGSXQSCKHODSS-UHFFFAOYSA-N 1 0 282.340 2.891 20 5 CFBDRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000921553495 625985526 /nfs/dbraw/zinc/98/55/26/625985526.db2.gz VBSACHUAZIDUBK-NSHDSACASA-N 1 0 292.314 2.612 20 5 CFBDRO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922540871 626306430 /nfs/dbraw/zinc/30/64/30/626306430.db2.gz MEWJDBIHZVAKSO-LLVKDONJSA-N 1 0 286.335 2.588 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000922843211 626378344 /nfs/dbraw/zinc/37/83/44/626378344.db2.gz QPEIPSSQOJCACO-JQWIXIFHSA-N 1 0 266.366 2.969 20 5 CFBDRO COC[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000922949921 626431701 /nfs/dbraw/zinc/43/17/01/626431701.db2.gz XCJOTVQYBHMZFO-CYBMUJFWSA-N 1 0 296.367 2.612 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839191950 626530675 /nfs/dbraw/zinc/53/06/75/626530675.db2.gz MSCJZFDFAODCEX-YPMHNXCESA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C2COC(C)(C)OC2)cccc1[N+](=O)[O-] ZINC000757698864 626559001 /nfs/dbraw/zinc/55/90/01/626559001.db2.gz ULHAAMBOQAKAMM-NSHDSACASA-N 1 0 294.351 2.705 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521088 626842085 /nfs/dbraw/zinc/84/20/85/626842085.db2.gz JGNJINMNHRNDGA-PSASIEDQSA-N 1 0 254.717 2.994 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000763334107 626980837 /nfs/dbraw/zinc/98/08/37/626980837.db2.gz UXHUGKWEQSDLJC-GFCCVEGCSA-N 1 0 286.335 2.634 20 5 CFBDRO Cc1nn(C[N@@H+](C)C2CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000765037902 627114679 /nfs/dbraw/zinc/11/46/79/627114679.db2.gz PQMLZUZMFQLFFF-UHFFFAOYSA-N 1 0 274.324 2.695 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000765643667 627152570 /nfs/dbraw/zinc/15/25/70/627152570.db2.gz RDYFRJUDMVWPQO-MNOVXSKESA-N 1 0 281.331 2.653 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000772961879 627762182 /nfs/dbraw/zinc/76/21/82/627762182.db2.gz WXCOWCAWHMHFST-UHFFFAOYSA-N 1 0 275.352 2.706 20 5 CFBDRO C[N@@H+](Cc1ccsc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272256 628125164 /nfs/dbraw/zinc/12/51/64/628125164.db2.gz SDFCGLDFAKXSQP-CQSZACIVSA-N 1 0 292.360 2.822 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273910 628125279 /nfs/dbraw/zinc/12/52/79/628125279.db2.gz BJGFAQLKQSXAPG-RISCZKNCSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277073 628125323 /nfs/dbraw/zinc/12/53/23/628125323.db2.gz NMAQEDLSBOJEAJ-FZMZJTMJSA-N 1 0 280.368 2.995 20 5 CFBDRO CC[C@H](CSC)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605501 628163780 /nfs/dbraw/zinc/16/37/80/628163780.db2.gz LNPRCCLPOLXUSB-OCCSQVGLSA-N 1 0 298.408 2.702 20 5 CFBDRO C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCC1 ZINC000777956975 628266978 /nfs/dbraw/zinc/26/69/78/628266978.db2.gz OBQJZANAAHXHRV-UHFFFAOYSA-N 1 0 286.335 2.900 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000778954476 628341118 /nfs/dbraw/zinc/34/11/18/628341118.db2.gz WZOJUKLBZRPWKB-STQMWFEESA-N 1 0 277.368 2.600 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC=CO1 ZINC000780570920 628478109 /nfs/dbraw/zinc/47/81/09/628478109.db2.gz SPPWDTSLYVOAPX-DYLGSBMWSA-N 1 0 274.320 2.890 20 5 CFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783667924 628732669 /nfs/dbraw/zinc/73/26/69/628732669.db2.gz VCYHNRLMOFYHRM-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677121 628733335 /nfs/dbraw/zinc/73/33/35/628733335.db2.gz UCCKBLOKPLMQDW-QUCGXOGASA-N 1 0 284.743 2.665 20 5 CFBDRO Cc1nn(C[N@H+](C)C[C@H]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000784006597 628762141 /nfs/dbraw/zinc/76/21/41/628762141.db2.gz AFJSWJLJWLBYFA-ZDUSSCGKSA-N 1 0 278.356 2.654 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000784384751 628812818 /nfs/dbraw/zinc/81/28/18/628812818.db2.gz DTISXGDEUGOJEM-CZUORRHYSA-N 1 0 290.363 2.916 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000784390499 628813329 /nfs/dbraw/zinc/81/33/29/628813329.db2.gz HLWXSAZNIAEKKM-BBRMVZONSA-N 1 0 290.363 2.916 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000785730220 628908383 /nfs/dbraw/zinc/90/83/83/628908383.db2.gz MXZFTDBYAAHOLV-RYUDHWBXSA-N 1 0 292.335 2.511 20 5 CFBDRO CCCCN(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591560 629083875 /nfs/dbraw/zinc/08/38/75/629083875.db2.gz IFHVXCNXTVQVJG-LBPRGKRZSA-N 1 0 294.399 2.560 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641219 629089369 /nfs/dbraw/zinc/08/93/69/629089369.db2.gz IVODUMFCKZQSAR-VIFPVBQESA-N 1 0 251.330 2.874 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000788673676 629090956 /nfs/dbraw/zinc/09/09/56/629090956.db2.gz XCNYIAPMDIRCIW-RIEGTJTDSA-N 1 0 293.367 2.785 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000788673674 629091011 /nfs/dbraw/zinc/09/10/11/629091011.db2.gz XCNYIAPMDIRCIW-DGFSRKRXSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788763663 629097786 /nfs/dbraw/zinc/09/77/86/629097786.db2.gz JQMLNMXHAZBPDT-CMPLNLGQSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789557777 629166661 /nfs/dbraw/zinc/16/66/61/629166661.db2.gz MMDSMCRDZDIGGZ-CYBMUJFWSA-N 1 0 284.743 2.595 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000791055724 629284817 /nfs/dbraw/zinc/28/48/17/629284817.db2.gz WDVHPCGSFRROMA-CABCVRRESA-N 1 0 262.353 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1F ZINC000792925342 629467027 /nfs/dbraw/zinc/46/70/27/629467027.db2.gz JYFOYMLKYQSECU-CYBMUJFWSA-N 1 0 296.342 2.861 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423208 634742704 /nfs/dbraw/zinc/74/27/04/634742704.db2.gz WWHNFBLQWJRXLP-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424972 634742922 /nfs/dbraw/zinc/74/29/22/634742922.db2.gz HTJFIXHWLQHMGN-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO CCOC(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OCC ZINC000795237938 629749835 /nfs/dbraw/zinc/74/98/35/629749835.db2.gz USJIFXKIVWACSA-UHFFFAOYSA-N 1 0 296.367 2.819 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000796315711 629902714 /nfs/dbraw/zinc/90/27/14/629902714.db2.gz KUZZWJMKNIOJIR-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526828 630076986 /nfs/dbraw/zinc/07/69/86/630076986.db2.gz YMBDUPVMBUPQCF-ABAIWWIYSA-N 1 0 276.336 2.526 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852670010 634802392 /nfs/dbraw/zinc/80/23/92/634802392.db2.gz USEDYPASADVISW-JQWIXIFHSA-N 1 0 296.754 2.717 20 5 CFBDRO CC(C)CC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000852683465 634806093 /nfs/dbraw/zinc/80/60/93/634806093.db2.gz XMSGRMVBMMFPTJ-CQSZACIVSA-N 1 0 278.352 2.797 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000801517566 630452355 /nfs/dbraw/zinc/45/23/55/630452355.db2.gz HYIZXCOYXAVUGY-CYBMUJFWSA-N 1 0 295.358 2.508 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546371 630456990 /nfs/dbraw/zinc/45/69/90/630456990.db2.gz KSOWMPDWERWFJZ-NHYWBVRUSA-N 1 0 296.342 2.717 20 5 CFBDRO CC(C)(C)SCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000801938557 630492472 /nfs/dbraw/zinc/49/24/72/630492472.db2.gz GRWDSOLTCYMVBI-UHFFFAOYSA-N 1 0 295.408 2.880 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)C[NH+](C)C ZINC000807916009 630922048 /nfs/dbraw/zinc/92/20/48/630922048.db2.gz JTPSRFRUKCCXBJ-UHFFFAOYSA-N 1 0 293.367 2.797 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)CC[NH+](C)C ZINC000807945674 630925254 /nfs/dbraw/zinc/92/52/54/630925254.db2.gz RTZRORVAUXNHRY-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO COC1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000840792377 631224795 /nfs/dbraw/zinc/22/47/95/631224795.db2.gz KCCUNPUQZOGSLF-PKSQDBQZSA-N 1 0 293.367 2.785 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056096 631323512 /nfs/dbraw/zinc/32/35/12/631323512.db2.gz XQMWLBMGOBTIBU-WDEREUQCSA-N 1 0 283.759 2.608 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811848638 631632505 /nfs/dbraw/zinc/63/25/05/631632505.db2.gz NAFYHQOHHLZTSX-NSHDSACASA-N 1 0 293.367 2.938 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000842474035 631640726 /nfs/dbraw/zinc/64/07/26/631640726.db2.gz BIJPAVRNPDVWLR-TXEJJXNPSA-N 1 0 295.770 2.575 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000812780420 631773663 /nfs/dbraw/zinc/77/36/63/631773663.db2.gz DLTJQKSUAMFMFV-NSHDSACASA-N 1 0 284.743 2.859 20 5 CFBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000843105956 631836396 /nfs/dbraw/zinc/83/63/96/631836396.db2.gz ZWQYMYFBTJKFPU-CYBMUJFWSA-N 1 0 297.786 2.678 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC23CCCC3)cc1 ZINC000844276448 632153030 /nfs/dbraw/zinc/15/30/30/632153030.db2.gz TYFVANVFWURMFP-AWEZNQCLSA-N 1 0 276.336 2.647 20 5 CFBDRO CSCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581480 632292603 /nfs/dbraw/zinc/29/26/03/632292603.db2.gz HMTHFIULAPQITN-JTQLQIEISA-N 1 0 283.397 2.971 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601241 632296878 /nfs/dbraw/zinc/29/68/78/632296878.db2.gz QUEXWVWCYIGCDF-ITDIGPHOSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000815613925 632297753 /nfs/dbraw/zinc/29/77/53/632297753.db2.gz AJAZSRUWLXDJHK-LOWVWBTDSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625407 632300759 /nfs/dbraw/zinc/30/07/59/632300759.db2.gz CEXJUFVSVBTJOP-VDDIYKPWSA-N 1 0 281.381 2.579 20 5 CFBDRO C[C@@H]([NH2+]CCCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628084 632300799 /nfs/dbraw/zinc/30/07/99/632300799.db2.gz QWTGYPMKMTTWGQ-SECBINFHSA-N 1 0 255.293 2.577 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2F)cc1 ZINC000105908854 632434739 /nfs/dbraw/zinc/43/47/39/632434739.db2.gz YDKKNGUIHRQKSG-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000105909035 632435377 /nfs/dbraw/zinc/43/53/77/632435377.db2.gz DXZDAYQGIHMECY-WBMJQRKESA-N 1 0 286.331 2.979 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846183267 632655278 /nfs/dbraw/zinc/65/52/78/632655278.db2.gz GUNRPRWSCYNIIP-MISXGVKJSA-N 1 0 295.383 2.625 20 5 CFBDRO [NH3+]CCCCCCCOc1ccccc1[N+](=O)[O-] ZINC000818617030 632881067 /nfs/dbraw/zinc/88/10/67/632881067.db2.gz AGORGLJEYZOAEW-UHFFFAOYSA-N 1 0 252.314 2.883 20 5 CFBDRO [NH3+]CCCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000818618187 632882078 /nfs/dbraw/zinc/88/20/78/632882078.db2.gz OMMRMSBOJFSZSR-UHFFFAOYSA-N 1 0 252.314 2.883 20 5 CFBDRO C[NH2+]C1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000856762222 635850008 /nfs/dbraw/zinc/85/00/08/635850008.db2.gz DXVNKGZNEVGASC-UHFFFAOYSA-N 1 0 269.732 2.802 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000818967617 632917876 /nfs/dbraw/zinc/91/78/76/632917876.db2.gz XCQMGWXXBCWRRP-RHSMWYFYSA-N 1 0 298.342 2.558 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000818979436 632920525 /nfs/dbraw/zinc/92/05/25/632920525.db2.gz MCAGCZYASUTCDD-WFASDCNBSA-N 1 0 276.336 2.574 20 5 CFBDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819123747 632975821 /nfs/dbraw/zinc/97/58/21/632975821.db2.gz BKDSLODPFBKCPD-RISCZKNCSA-N 1 0 298.408 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC23CCC(CC2)C3)c1 ZINC000819190027 633009650 /nfs/dbraw/zinc/00/96/50/633009650.db2.gz YSDHPNBNUNWGAF-NRAUKZCXSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000819222737 633026117 /nfs/dbraw/zinc/02/61/17/633026117.db2.gz WVKHZTPWVWYINH-KGLIPLIRSA-N 1 0 296.392 2.504 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819279756 633050946 /nfs/dbraw/zinc/05/09/46/633050946.db2.gz RFDYZPRPXUPZKA-TYNCELHUSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819279757 633051846 /nfs/dbraw/zinc/05/18/46/633051846.db2.gz RFDYZPRPXUPZKA-XUJVJEKNSA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1csc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819346164 633096978 /nfs/dbraw/zinc/09/69/78/633096978.db2.gz DHKOMRJKMWIVEC-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC=CO1 ZINC000848548033 633285785 /nfs/dbraw/zinc/28/57/85/633285785.db2.gz TYWLZDKLNOQPQV-RISCZKNCSA-N 1 0 274.320 2.864 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCCCO ZINC000850447433 633997384 /nfs/dbraw/zinc/99/73/84/633997384.db2.gz GDGOLCDQNAMCDC-LBPRGKRZSA-N 1 0 296.367 2.807 20 5 CFBDRO CCC(CC)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000853136160 634918341 /nfs/dbraw/zinc/91/83/41/634918341.db2.gz WBSWLLWCJXEQJH-OAHLLOKOSA-N 1 0 294.399 2.955 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000853604748 635046784 /nfs/dbraw/zinc/04/67/84/635046784.db2.gz HYLROTKOFROJNU-ZDUSSCGKSA-N 1 0 278.356 2.794 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH+](C)C ZINC000853799976 635111090 /nfs/dbraw/zinc/11/10/90/635111090.db2.gz WIFXCPODGSTNIM-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO CC[C@@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000854139293 635227525 /nfs/dbraw/zinc/22/75/25/635227525.db2.gz OMRPCXQOUHYITA-LLVKDONJSA-N 1 0 276.296 2.624 20 5 CFBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512575 636017659 /nfs/dbraw/zinc/01/76/59/636017659.db2.gz NCYJDEQTLAAUDP-TZMCWYRMSA-N 1 0 286.335 2.627 20 5 CFBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512233 636017956 /nfs/dbraw/zinc/01/79/56/636017956.db2.gz MHAHSKNSWUTBFS-JSGCOSHPSA-N 1 0 286.335 2.627 20 5 CFBDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858463708 636254450 /nfs/dbraw/zinc/25/44/50/636254450.db2.gz YHBDDXSGAWBGSU-JTQLQIEISA-N 1 0 261.325 2.794 20 5 CFBDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000858474685 636261488 /nfs/dbraw/zinc/26/14/88/636261488.db2.gz CQJIGADEEUEIJC-GXFFZTMASA-N 1 0 290.319 2.507 20 5 CFBDRO Nc1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000858781996 636345360 /nfs/dbraw/zinc/34/53/60/636345360.db2.gz XIGDDBYELTVYEZ-CYBMUJFWSA-N 1 0 290.367 2.606 20 5 CFBDRO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000859402178 636558343 /nfs/dbraw/zinc/55/83/43/636558343.db2.gz QKIVZKAQGROFTG-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000119017021 637460272 /nfs/dbraw/zinc/46/02/72/637460272.db2.gz VQCDOOHHGVVBJI-CYBMUJFWSA-N 1 0 298.770 2.984 20 5 CFBDRO CC[NH2+][C@@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000863659142 637730458 /nfs/dbraw/zinc/73/04/58/637730458.db2.gz CNMCQGXYWCUJTF-VIFPVBQESA-N 1 0 276.296 2.624 20 5 CFBDRO Cc1ccccc1[C@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000077446991 650425255 /nfs/dbraw/zinc/42/52/55/650425255.db2.gz RGTRZWWCQNPNBJ-OAHLLOKOSA-N 1 0 286.335 2.894 20 5 CFBDRO Cc1ccc(CNCc2cn(C)nc2Cl)cc1[N+](=O)[O-] ZINC000865788060 638574182 /nfs/dbraw/zinc/57/41/82/638574182.db2.gz XOYCPJRHRFBDFI-UHFFFAOYSA-N 1 0 294.742 2.580 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000865926094 638661127 /nfs/dbraw/zinc/66/11/27/638661127.db2.gz QJGYEFFMWXUXKB-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CCC1(C)C ZINC000866115090 638743952 /nfs/dbraw/zinc/74/39/52/638743952.db2.gz UYMCKJUVAQOVPL-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO CN1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000866192139 638766594 /nfs/dbraw/zinc/76/65/94/638766594.db2.gz CZQHMOXZMJTXMQ-CQSZACIVSA-N 1 0 284.319 2.588 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265033 638784004 /nfs/dbraw/zinc/78/40/04/638784004.db2.gz HOJPQEVUJPEOOG-XHDPSFHLSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCOC1 ZINC000866273334 638786617 /nfs/dbraw/zinc/78/66/17/638786617.db2.gz KBJKQGXHKYEFNV-WZRBSPASSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCOC1 ZINC000866338081 638798654 /nfs/dbraw/zinc/79/86/54/638798654.db2.gz OBJGBJXKAUVKKU-RYUDHWBXSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC=CO1 ZINC000866343807 638799955 /nfs/dbraw/zinc/79/99/55/638799955.db2.gz ODFZRKGFZWWOSS-FZMZJTMJSA-N 1 0 294.326 2.947 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000866487929 638829645 /nfs/dbraw/zinc/82/96/45/638829645.db2.gz IGYDAJAVGMANDI-FBIMIBRVSA-N 1 0 281.381 2.722 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OCC[C@@H]1CC[NH2+]C1 ZINC000122533797 639186118 /nfs/dbraw/zinc/18/61/18/639186118.db2.gz NPFBEDYAQZYXRQ-QMMMGPOBSA-N 1 0 288.706 2.766 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000871933791 641516716 /nfs/dbraw/zinc/51/67/16/641516716.db2.gz YRMFAEBSZPDMIJ-YPMHNXCESA-N 1 0 292.335 2.589 20 5 CFBDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000871933790 641516978 /nfs/dbraw/zinc/51/69/78/641516978.db2.gz YRMFAEBSZPDMIJ-WCQYABFASA-N 1 0 292.335 2.589 20 5 CFBDRO C[C@@H](NCC(C)(C)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016921 641548452 /nfs/dbraw/zinc/54/84/52/641548452.db2.gz QNHLFIJXVSSGDG-SNVBAGLBSA-N 1 0 283.347 2.725 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+](C)C ZINC000872017363 641548478 /nfs/dbraw/zinc/54/84/78/641548478.db2.gz ZZMPFTWYLAXMJI-NSHDSACASA-N 1 0 297.424 2.919 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019486 641549946 /nfs/dbraw/zinc/54/99/46/641549946.db2.gz YGXILZJAUQGWJE-NWDGAFQWSA-N 1 0 295.358 2.869 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025109 641556143 /nfs/dbraw/zinc/55/61/43/641556143.db2.gz ZIOHDOXDBUKURJ-WDEREUQCSA-N 1 0 284.331 2.792 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)O ZINC000872033503 641564619 /nfs/dbraw/zinc/56/46/19/641564619.db2.gz DCQQQPLESLBSGQ-UWVGGRQHSA-N 1 0 284.381 2.738 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034676 641565918 /nfs/dbraw/zinc/56/59/18/641565918.db2.gz ILCSGFYJJIVJCG-QMTHXVAHSA-N 1 0 284.331 2.792 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037463 641570683 /nfs/dbraw/zinc/57/06/83/641570683.db2.gz BVARWFSEGYSYTE-JQWIXIFHSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039766 641574225 /nfs/dbraw/zinc/57/42/25/641574225.db2.gz GYKVRMZDSPRGMY-NWDGAFQWSA-N 1 0 295.358 2.726 20 5 CFBDRO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039767 641574682 /nfs/dbraw/zinc/57/46/82/641574682.db2.gz GYKVRMZDSPRGMY-RYUDHWBXSA-N 1 0 295.358 2.726 20 5 CFBDRO C[C@H](CCCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041103 641575798 /nfs/dbraw/zinc/57/57/98/641575798.db2.gz GDSIZZWPADJMFP-ZJUUUORDSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046947 641580906 /nfs/dbraw/zinc/58/09/06/641580906.db2.gz AAJIUCMNSUYEAE-DTWKUNHWSA-N 1 0 270.329 2.890 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050894 641584940 /nfs/dbraw/zinc/58/49/40/641584940.db2.gz DMHITUQDNKAWKL-GMTAPVOTSA-N 1 0 282.315 2.688 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872061854 641592797 /nfs/dbraw/zinc/59/27/97/641592797.db2.gz ALFVRHHRRXWFPF-UFGOTCBOSA-N 1 0 282.315 2.688 20 5 CFBDRO C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000872073065 641604610 /nfs/dbraw/zinc/60/46/10/641604610.db2.gz LZAZLRVNWXEIMI-MNOVXSKESA-N 1 0 283.347 2.582 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074891 641606870 /nfs/dbraw/zinc/60/68/70/641606870.db2.gz JXIFONSJMWJXSZ-ZJUUUORDSA-N 1 0 284.331 2.934 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076407 641609244 /nfs/dbraw/zinc/60/92/44/641609244.db2.gz KYKRXYQNVPYJQA-UFGOTCBOSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872076962 641609255 /nfs/dbraw/zinc/60/92/55/641609255.db2.gz WMWPHXREBNTZJK-WDMOLILDSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079357 641612714 /nfs/dbraw/zinc/61/27/14/641612714.db2.gz XUIQDWLEWNDMEZ-ZANVPECISA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083877 641617655 /nfs/dbraw/zinc/61/76/55/641617655.db2.gz BSAVATYGWQKYNJ-ZWKOPEQDSA-N 1 0 294.326 2.688 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085073 641619255 /nfs/dbraw/zinc/61/92/55/641619255.db2.gz NGPSZDYGADSMDV-BXKDBHETSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085074 641619280 /nfs/dbraw/zinc/61/92/80/641619280.db2.gz NGPSZDYGADSMDV-CABZTGNLSA-N 1 0 282.315 2.546 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094980 641627434 /nfs/dbraw/zinc/62/74/34/641627434.db2.gz QKFKPFFEGGETNE-GARJFASQSA-N 1 0 284.331 2.934 20 5 CFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000872127759 641655415 /nfs/dbraw/zinc/65/54/15/641655415.db2.gz XOKBYOSRWVBLQN-WBIUFABUSA-N 1 0 290.363 2.678 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129601 641657702 /nfs/dbraw/zinc/65/77/02/641657702.db2.gz RSCSXPASFBMBSI-JMSVASOKSA-N 1 0 289.379 2.728 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129603 641657820 /nfs/dbraw/zinc/65/78/20/641657820.db2.gz RSCSXPASFBMBSI-YWPYICTPSA-N 1 0 289.379 2.728 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000872129600 641658084 /nfs/dbraw/zinc/65/80/84/641658084.db2.gz RPVGSCBHEGKOHG-WOPDTQHZSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129531 641658103 /nfs/dbraw/zinc/65/81/03/641658103.db2.gz JYKQSUUPYDPFJV-UPJWGTAASA-N 1 0 277.368 2.728 20 5 CFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780132 641934453 /nfs/dbraw/zinc/93/44/53/641934453.db2.gz JUJYXYSUQBJPKQ-STQMWFEESA-N 1 0 297.305 2.546 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780608 641934672 /nfs/dbraw/zinc/93/46/72/641934672.db2.gz MNDANOIGBSILOG-CHWSQXEVSA-N 1 0 293.342 2.715 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](C)Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000873026570 641988233 /nfs/dbraw/zinc/98/82/33/641988233.db2.gz POJZHOWYOQFYHP-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO CCc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[nH]n1 ZINC000873050016 641995575 /nfs/dbraw/zinc/99/55/75/641995575.db2.gz PDXUTSYENDUURU-UHFFFAOYSA-N 1 0 288.351 2.787 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC000873065619 642001794 /nfs/dbraw/zinc/00/17/94/642001794.db2.gz HAPZCKAALKDSSP-HNNXBMFYSA-N 1 0 280.368 2.972 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000873078798 642007440 /nfs/dbraw/zinc/00/74/40/642007440.db2.gz PNRDCWBLMMJNMK-MQMHXKEQSA-N 1 0 278.352 2.544 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873112673 642015294 /nfs/dbraw/zinc/01/52/94/642015294.db2.gz GQDZNMYMMPLNFX-UHFFFAOYSA-N 1 0 280.368 2.934 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000873128372 642021056 /nfs/dbraw/zinc/02/10/56/642021056.db2.gz MFCCLACDWUMAHW-LRDDRELGSA-N 1 0 292.379 2.852 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873130999 642021875 /nfs/dbraw/zinc/02/18/75/642021875.db2.gz NYCSVSMABAMEMC-BETUJISGSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000873230420 642082255 /nfs/dbraw/zinc/08/22/55/642082255.db2.gz RCMUPIYTQYQHEK-ZIAGYGMSSA-N 1 0 295.770 2.622 20 5 CFBDRO CSCC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125023099 642393400 /nfs/dbraw/zinc/39/34/00/642393400.db2.gz PKRMFDKMFBOUPO-QMMMGPOBSA-N 1 0 260.384 2.888 20 5 CFBDRO Cn1cc(C[N@H+](C)C2CCCCCCC2)c([N+](=O)[O-])n1 ZINC000876657486 642960913 /nfs/dbraw/zinc/96/09/13/642960913.db2.gz OUHBPPGCHGMXHB-UHFFFAOYSA-N 1 0 280.372 2.873 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000876804936 643016266 /nfs/dbraw/zinc/01/62/66/643016266.db2.gz WKYAPTAGRYUGAL-XJKSGUPXSA-N 1 0 292.379 2.804 20 5 CFBDRO CC[C@H](C)C[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877067463 643132231 /nfs/dbraw/zinc/13/22/31/643132231.db2.gz HWGLQICETGOATL-ZFDZMSFRSA-N 1 0 280.372 2.909 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC4CCC3CC4)C2)c1 ZINC000877091047 643147810 /nfs/dbraw/zinc/14/78/10/643147810.db2.gz ZABXNFFHARPYQV-OUZJWQAESA-N 1 0 290.367 2.663 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCC4(CC4)CC3)C2)c1 ZINC000877477708 643294885 /nfs/dbraw/zinc/29/48/85/643294885.db2.gz FVDIMCZXZZPVTB-UHFFFAOYSA-N 1 0 290.367 2.807 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000877488988 643304997 /nfs/dbraw/zinc/30/49/97/643304997.db2.gz KCDSWNCLIGZPJV-MRXNPFEDSA-N 1 0 292.379 2.949 20 5 CFBDRO C[C@H]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877500785 643313475 /nfs/dbraw/zinc/31/34/75/643313475.db2.gz JSKOBQYBNNBFHS-ZSVAQUKISA-N 1 0 278.356 2.521 20 5 CFBDRO COCC1(C)C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877582195 643378099 /nfs/dbraw/zinc/37/80/99/643378099.db2.gz MLJIVVORRCFKGF-UHFFFAOYSA-N 1 0 278.352 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000877594311 643386383 /nfs/dbraw/zinc/38/63/83/643386383.db2.gz FBYXWGBDTXEKND-BXUZGUMPSA-N 1 0 292.379 2.662 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877719371 643483585 /nfs/dbraw/zinc/48/35/85/643483585.db2.gz ZFEHLVKNJOEECB-BETUJISGSA-N 1 0 258.321 2.993 20 5 CFBDRO Cc1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1[N+](=O)[O-] ZINC000877730014 643489760 /nfs/dbraw/zinc/48/97/60/643489760.db2.gz JTHJLNGXBVYKTN-CYBMUJFWSA-N 1 0 264.325 2.562 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877736676 643495988 /nfs/dbraw/zinc/49/59/88/643495988.db2.gz ANAZOCNEWTWFDZ-CHWSQXEVSA-N 1 0 278.377 2.780 20 5 CFBDRO CC1(C)C[C@H](O)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877752416 643529833 /nfs/dbraw/zinc/52/98/33/643529833.db2.gz FKPPYCGXPGEJPO-DYLGSBMWSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245988894 650848451 /nfs/dbraw/zinc/84/84/51/650848451.db2.gz WMXSBEHUJOWNMT-CMPLNLGQSA-N 1 0 288.351 2.941 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877796658 643563221 /nfs/dbraw/zinc/56/32/21/643563221.db2.gz RWNNFRLYCFWOGD-AWEZNQCLSA-N 1 0 292.379 2.886 20 5 CFBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000126884466 643728579 /nfs/dbraw/zinc/72/85/79/643728579.db2.gz SECYGLLOVICNGO-NSHDSACASA-N 1 0 266.345 2.649 20 5 CFBDRO CC1(C)CO[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000878303498 643830522 /nfs/dbraw/zinc/83/05/22/643830522.db2.gz SXFPBHMNHWKDOQ-ZDUSSCGKSA-N 1 0 290.363 2.768 20 5 CFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000878421726 643888080 /nfs/dbraw/zinc/88/80/80/643888080.db2.gz CMGKTTPUEUOIGF-VXGBXAGGSA-N 1 0 294.351 2.581 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cc1[N+](=O)[O-] ZINC000878698107 643995894 /nfs/dbraw/zinc/99/58/94/643995894.db2.gz AWRCNORNTXRFNL-OAHLLOKOSA-N 1 0 290.363 2.783 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CCF)CC2)cc1 ZINC000879209951 644177359 /nfs/dbraw/zinc/17/73/59/644177359.db2.gz XJXDFURXGMJKOC-OAHLLOKOSA-N 1 0 296.342 2.700 20 5 CFBDRO C=C/C=C/CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879271975 644202862 /nfs/dbraw/zinc/20/28/62/644202862.db2.gz JSKJYNGORMFHSU-RGDDUWESSA-N 1 0 276.336 2.524 20 5 CFBDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000879317545 644222582 /nfs/dbraw/zinc/22/25/82/644222582.db2.gz FNOVQPKZAXDTNW-SMDDNHRTSA-N 1 0 264.325 2.594 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000879322525 644227962 /nfs/dbraw/zinc/22/79/62/644227962.db2.gz WLFSFIMLBBNETE-WCQYABFASA-N 1 0 294.351 2.603 20 5 CFBDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000879324718 644231714 /nfs/dbraw/zinc/23/17/14/644231714.db2.gz FGLIZNPVKCYBRU-TZMCWYRMSA-N 1 0 278.352 2.903 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879559926 644320762 /nfs/dbraw/zinc/32/07/62/644320762.db2.gz TZOUCSMFXQRVSZ-MNOVXSKESA-N 1 0 296.367 2.919 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1F ZINC000879565928 644327108 /nfs/dbraw/zinc/32/71/08/644327108.db2.gz RLKBERVUSFBGRU-NWDGAFQWSA-N 1 0 296.367 2.919 20 5 CFBDRO COCC1([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000880186861 644569456 /nfs/dbraw/zinc/56/94/56/644569456.db2.gz SLTOMFZHUHRVOZ-UHFFFAOYSA-N 1 0 282.315 2.735 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880231189 644591805 /nfs/dbraw/zinc/59/18/05/644591805.db2.gz VAPBIOBUZLWBOB-NSHDSACASA-N 1 0 252.289 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880231964 644591965 /nfs/dbraw/zinc/59/19/65/644591965.db2.gz CGMXWFHPMCRVGW-LBPRGKRZSA-N 1 0 282.315 2.655 20 5 CFBDRO CC(=O)c1c(NC[C@H]2C[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000882544134 645362551 /nfs/dbraw/zinc/36/25/51/645362551.db2.gz PMYOREOXXXRPHG-TXEJJXNPSA-N 1 0 291.351 2.550 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882622051 645391662 /nfs/dbraw/zinc/39/16/62/645391662.db2.gz KPNNYIAZGBVBBO-NSHDSACASA-N 1 0 296.346 2.661 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883090161 645601599 /nfs/dbraw/zinc/60/15/99/645601599.db2.gz DFBJSENERCXXRN-JDGPPOGSSA-N 1 0 284.743 2.665 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C=CCC2)n1 ZINC000883245410 645692940 /nfs/dbraw/zinc/69/29/40/645692940.db2.gz LBGPXFBHBUWVAA-MGPQQGTHSA-N 1 0 290.367 2.831 20 5 CFBDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883268410 645710789 /nfs/dbraw/zinc/71/07/89/645710789.db2.gz KHENETDTASBIRM-ZWNMCFTASA-N 1 0 261.325 2.960 20 5 CFBDRO C=C/C=C/CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000883268861 645711585 /nfs/dbraw/zinc/71/15/85/645711585.db2.gz UVRAGQXSHDDYCC-JKWAOEONSA-N 1 0 290.367 2.997 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000883320669 645739313 /nfs/dbraw/zinc/73/93/13/645739313.db2.gz RRCOZHZWUUYIMU-RWMBFGLXSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883391811 645791142 /nfs/dbraw/zinc/79/11/42/645791142.db2.gz SBRXFKIEEAHPCP-UHFFFAOYSA-N 1 0 276.336 2.644 20 5 CFBDRO O=C(OCCC[NH+]1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000800139961 646153874 /nfs/dbraw/zinc/15/38/74/646153874.db2.gz BXJPPLOZPCBTKP-UHFFFAOYSA-N 1 0 298.364 2.689 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1OCCC1CC[NH2+]CC1 ZINC000134493716 646352947 /nfs/dbraw/zinc/35/29/47/646352947.db2.gz PWFCGKYRAQPHPT-UHFFFAOYSA-N 1 0 268.288 2.502 20 5 CFBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000885967354 646787777 /nfs/dbraw/zinc/78/77/77/646787777.db2.gz MRJPCXBVGULWOU-LLVKDONJSA-N 1 0 251.330 2.856 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC(C)(C)C1 ZINC000886123255 646882460 /nfs/dbraw/zinc/88/24/60/646882460.db2.gz VLACGRHFTJDBAH-NSHDSACASA-N 1 0 263.341 2.858 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886140566 646891873 /nfs/dbraw/zinc/89/18/73/646891873.db2.gz KHJQTLRNQFKJMU-WZRBSPASSA-N 1 0 263.341 2.904 20 5 CFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200461 646917358 /nfs/dbraw/zinc/91/73/58/646917358.db2.gz MRCXQPSXZBKEJO-NWDGAFQWSA-N 1 0 281.381 2.754 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCc2ccccc2CC1 ZINC000886234813 646933406 /nfs/dbraw/zinc/93/34/06/646933406.db2.gz WXVQABMNJZPJAE-UHFFFAOYSA-N 1 0 297.358 2.981 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000886249256 646937082 /nfs/dbraw/zinc/93/70/82/646937082.db2.gz GHWVBUWRQXMOSZ-NEPJUHHUSA-N 1 0 263.341 2.904 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000886304452 646959804 /nfs/dbraw/zinc/95/98/04/646959804.db2.gz YFURAVILKIWJBQ-CABCVRRESA-N 1 0 299.330 2.610 20 5 CFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000930184247 647070461 /nfs/dbraw/zinc/07/04/61/647070461.db2.gz YKBTVJTUWQLRBE-QMMMGPOBSA-N 1 0 262.231 2.633 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1F ZINC000886821376 647152077 /nfs/dbraw/zinc/15/20/77/647152077.db2.gz BOOZUHNQCLJSGU-IUODEOHRSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886836138 647157705 /nfs/dbraw/zinc/15/77/05/647157705.db2.gz VWOJQNNHNPNDQI-IAQYHMDHSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000886869855 647163944 /nfs/dbraw/zinc/16/39/44/647163944.db2.gz KAIGKRCZIIQLMH-AWEZNQCLSA-N 1 0 295.408 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCF ZINC000887140120 647229226 /nfs/dbraw/zinc/22/92/26/647229226.db2.gz QVTXIQDMTJFKML-UHFFFAOYSA-N 1 0 297.330 2.523 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(C3CC3)CCC2)c1 ZINC000887147520 647231860 /nfs/dbraw/zinc/23/18/60/647231860.db2.gz QBLBMNMPYLWHOV-CQSZACIVSA-N 1 0 276.336 2.551 20 5 CFBDRO C[C@H](N)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496676 647883757 /nfs/dbraw/zinc/88/37/57/647883757.db2.gz RZQBOLATNSNDEL-SUMWQHHRSA-N 1 0 299.374 2.815 20 5 CFBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311243 648154827 /nfs/dbraw/zinc/15/48/27/648154827.db2.gz RKXCMKHQGMTRNA-KBPBESRZSA-N 1 0 278.352 2.746 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]CCc3cccc([N+](=O)[O-])c3)C2)CO1 ZINC000925639169 648256180 /nfs/dbraw/zinc/25/61/80/648256180.db2.gz ADSRVMCTBAZGPC-YGONEPDPSA-N 1 0 290.363 2.685 20 5 CFBDRO CCCN(CC[N+](=O)[O-])[C@H](C)c1ccccc1OC ZINC000929383871 649042785 /nfs/dbraw/zinc/04/27/85/649042785.db2.gz XNOGBLJJGGQMJN-GFCCVEGCSA-N 1 0 266.341 2.745 20 5 CFBDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035254665 649057077 /nfs/dbraw/zinc/05/70/77/649057077.db2.gz IJXARXXZNSNKTK-NSHDSACASA-N 1 0 260.293 2.909 20 5 CFBDRO O=[N+]([O-])CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000929619067 649079573 /nfs/dbraw/zinc/07/95/73/649079573.db2.gz QABHABLDUPJMQU-UHFFFAOYSA-N 1 0 291.326 2.763 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000929881914 649144140 /nfs/dbraw/zinc/14/41/40/649144140.db2.gz IFIKSYWCDKSISW-CYBMUJFWSA-N 1 0 273.336 2.624 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000929955440 649155036 /nfs/dbraw/zinc/15/50/36/649155036.db2.gz NAFSDCIGGRIKAJ-UHFFFAOYSA-N 1 0 299.168 2.695 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)nn1 ZINC000932176342 649559348 /nfs/dbraw/zinc/55/93/48/649559348.db2.gz CHIJPCKRTSBJHM-LLVKDONJSA-N 1 0 286.335 2.852 20 5 CFBDRO CCOC(=O)CCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932179712 649559831 /nfs/dbraw/zinc/55/98/31/649559831.db2.gz LIDDMUDBVPKPPO-GFCCVEGCSA-N 1 0 294.351 2.979 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000932368135 649585769 /nfs/dbraw/zinc/58/57/69/649585769.db2.gz DBUPAEMOOXTFMV-LBPRGKRZSA-N 1 0 296.367 2.767 20 5 CFBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932647890 649633978 /nfs/dbraw/zinc/63/39/78/649633978.db2.gz AFDDUBMDJMELHR-DGCLKSJQSA-N 1 0 292.335 2.541 20 5 CFBDRO C[C@H]1CSCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000934304762 649771118 /nfs/dbraw/zinc/77/11/18/649771118.db2.gz XTROJEDVPBQQCR-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000689768645 770483871 /nfs/dbraw/zinc/48/38/71/770483871.db2.gz TUIFEZHFFXUVNW-AAEUAGOBSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cs1 ZINC000723996940 770738516 /nfs/dbraw/zinc/73/85/16/770738516.db2.gz QQBKVWBBEYPPCF-JSGCOSHPSA-N 1 0 296.392 2.951 20 5 CFBDRO [NH3+]Cc1cccn1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001167590160 770947928 /nfs/dbraw/zinc/94/79/28/770947928.db2.gz TWJTVTKVRABPTN-UHFFFAOYSA-N 1 0 285.225 2.863 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](OCc2ncc(C)c([N+](=O)[O-])c2C)C1 ZINC001224185986 775122514 /nfs/dbraw/zinc/12/25/14/775122514.db2.gz VLVMEEUYFQAUPC-CYBMUJFWSA-N 1 0 293.367 2.608 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)OCCc1ccc([N+](=O)[O-])cc1 ZINC001224330963 775159421 /nfs/dbraw/zinc/15/94/21/775159421.db2.gz MUSROZJVOPPDBI-CYBMUJFWSA-N 1 0 280.368 2.884 20 5 CFBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001224622067 775229778 /nfs/dbraw/zinc/22/97/78/775229778.db2.gz FSMQOZTUGNEKNR-GFCCVEGCSA-N 1 0 267.349 2.769 20 5 CFBDRO C[C@H](COCc1ccccc1)CO[C@H](C)C[N+](C)(C)C ZINC001225004350 775332047 /nfs/dbraw/zinc/33/20/47/775332047.db2.gz PQGKHRYPACODSL-HZPDHXFCSA-N 1 0 280.432 2.951 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000690779874 775344749 /nfs/dbraw/zinc/34/47/49/775344749.db2.gz OZAPWWLTWLOSTP-JQWIXIFHSA-N 1 0 296.754 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000690779880 775345249 /nfs/dbraw/zinc/34/52/49/775345249.db2.gz OZAPWWLTWLOSTP-ZYHUDNBSSA-N 1 0 296.754 2.717 20 5 CFBDRO COc1ccc(CCCO[C@@H](C)C[N+](C)(C)C)cc1OC ZINC001225072499 775349545 /nfs/dbraw/zinc/34/95/45/775349545.db2.gz IQIBHNIDNDCNMK-AWEZNQCLSA-N 1 0 296.431 2.748 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c(Cl)c1 ZINC001217975608 775414310 /nfs/dbraw/zinc/41/43/10/775414310.db2.gz IXFPIQGXLZZRBH-ZYHUDNBSSA-N 1 0 288.706 2.717 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-n2cccc2)cc1 ZINC001225355371 775425593 /nfs/dbraw/zinc/42/55/93/775425593.db2.gz BKLFVBIIAJHBKL-AWEZNQCLSA-N 1 0 259.373 2.951 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OC1CC[NH+](C(C)C)CC1 ZINC001225616494 775525426 /nfs/dbraw/zinc/52/54/26/775525426.db2.gz SGMZQTJPVYCNPW-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225710160 775570132 /nfs/dbraw/zinc/57/01/32/775570132.db2.gz HMHZEONXMAISSX-JTQLQIEISA-N 1 0 270.716 2.721 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778022 775590134 /nfs/dbraw/zinc/59/01/34/775590134.db2.gz GKLXWNKJDGDLTR-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc([N+](=O)[O-])c1F ZINC001225797542 775597544 /nfs/dbraw/zinc/59/75/44/775597544.db2.gz WPGFUXDHPUYZJO-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO C[C@@H]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C[NH2+]1 ZINC001218392392 775623950 /nfs/dbraw/zinc/62/39/50/775623950.db2.gz JHUWCSZWEIOMHS-RKDXNWHRSA-N 1 0 270.716 2.768 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c(F)c(F)ccc1[N+](=O)[O-] ZINC001225960072 775648970 /nfs/dbraw/zinc/64/89/70/775648970.db2.gz OQSXJZQLGZCHDV-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c(F)cccc1[N+](=O)[O-] ZINC001226008888 775665881 /nfs/dbraw/zinc/66/58/81/775665881.db2.gz JAUNEJGIYHNTPC-GNXNZQSNSA-N 1 0 294.326 2.843 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226131636 775711829 /nfs/dbraw/zinc/71/18/29/775711829.db2.gz OXCAFICLYHYNNX-JTQLQIEISA-N 1 0 285.731 2.506 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226131275 775711984 /nfs/dbraw/zinc/71/19/84/775711984.db2.gz GHEIDYZYUKYDMF-XYPYZODXSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-n1cccc1 ZINC001226243738 775752696 /nfs/dbraw/zinc/75/26/96/775752696.db2.gz MXSJFPXSOBYCHQ-AWEZNQCLSA-N 1 0 259.373 2.951 20 5 CFBDRO CC[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226256581 775757395 /nfs/dbraw/zinc/75/73/95/775757395.db2.gz UHKWWOVFEAXKGR-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])ccc1F ZINC001226264744 775762373 /nfs/dbraw/zinc/76/23/73/775762373.db2.gz BBAASKZQMIRLSG-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001226270339 775763636 /nfs/dbraw/zinc/76/36/36/775763636.db2.gz PPHKPNLNPFNGJH-UMSPYCQHSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(=O)c1ccc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001226293694 775770245 /nfs/dbraw/zinc/77/02/45/775770245.db2.gz ZRBLYXKPBRMSOZ-ZDUSSCGKSA-N 1 0 292.335 2.661 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364719 775791225 /nfs/dbraw/zinc/79/12/25/775791225.db2.gz RZQBQRVRGJDYBB-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001226443356 775824392 /nfs/dbraw/zinc/82/43/92/775824392.db2.gz SNXCDWBOQNDTHI-PJXYFTJBSA-N 1 0 292.335 2.607 20 5 CFBDRO CCn1c2ccccc2nc1O[C@@H](C)C[N+](C)(C)C ZINC001226533796 775864628 /nfs/dbraw/zinc/86/46/28/775864628.db2.gz IYSYGURHEGHVBB-LBPRGKRZSA-N 1 0 262.377 2.530 20 5 CFBDRO C[C@H](Oc1cc[nH+]c(N)c1)c1cccc([N+](=O)[O-])c1 ZINC001226654031 775905050 /nfs/dbraw/zinc/90/50/50/775905050.db2.gz WIHNCAMBQWAJGI-VIFPVBQESA-N 1 0 259.265 2.712 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226751833 775948302 /nfs/dbraw/zinc/94/83/02/775948302.db2.gz UFDBTOZDPCBUJF-UHFFFAOYSA-N 1 0 297.330 2.771 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2)CC1 ZINC001226762994 775952597 /nfs/dbraw/zinc/95/25/97/775952597.db2.gz FUDATARJUIUKAY-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cccc([N+](=O)[O-])c2)CC1 ZINC001226763168 775952816 /nfs/dbraw/zinc/95/28/16/775952816.db2.gz KTGFPVXPRAPTIL-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc([N+](=O)[O-])c1)C2 ZINC001226766146 775954995 /nfs/dbraw/zinc/95/49/95/775954995.db2.gz ZTQIXKPQIAQGDG-GNXNZQSNSA-N 1 0 262.309 2.599 20 5 CFBDRO Cc1ccc2[nH]c(=O)cc(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001226854168 775992409 /nfs/dbraw/zinc/99/24/09/775992409.db2.gz FUXUAKQUBXTDRO-LBPRGKRZSA-O 1 0 275.372 2.722 20 5 CFBDRO CC(=O)Nc1ccc(O[C@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001226880424 776001110 /nfs/dbraw/zinc/00/11/10/776001110.db2.gz ROORCMFRLBTFQR-SNVBAGLBSA-O 1 0 285.795 2.772 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001226953289 776032506 /nfs/dbraw/zinc/03/25/06/776032506.db2.gz YLKVMEOTQWYYHJ-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2o1 ZINC001227234302 776149334 /nfs/dbraw/zinc/14/93/34/776149334.db2.gz NGDGVQLZKMRGSS-SNVBAGLBSA-N 1 0 293.323 2.845 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1nc2c(cccc2[N+](=O)[O-])o1 ZINC001227238244 776150688 /nfs/dbraw/zinc/15/06/88/776150688.db2.gz MWQCDGCHINBBTD-SNVBAGLBSA-N 1 0 293.323 2.845 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)CC1 ZINC001227239659 776152854 /nfs/dbraw/zinc/15/28/54/776152854.db2.gz ZPHCWZYXVNSMQE-JTQLQIEISA-N 1 0 291.307 2.599 20 5 CFBDRO CCc1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001227405792 776194772 /nfs/dbraw/zinc/19/47/72/776194772.db2.gz BHZYNTIRXXYAHW-GFCCVEGCSA-N 1 0 252.378 2.731 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC001227521702 776219147 /nfs/dbraw/zinc/21/91/47/776219147.db2.gz USGBXMCAHNMRMV-LLVKDONJSA-N 1 0 252.314 2.704 20 5 CFBDRO Cc1ccnc(O[C@@H](C)C[N+](C)(C)C)c1Br ZINC001227902571 776324523 /nfs/dbraw/zinc/32/45/23/776324523.db2.gz IKANKNYFZCAAOZ-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO CN1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228155518 776411964 /nfs/dbraw/zinc/41/19/64/776411964.db2.gz WXXFTKCZMLOBRO-ZETCQYMHSA-N 1 0 291.134 2.985 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O)cc1Br ZINC001228205939 776421250 /nfs/dbraw/zinc/42/12/50/776421250.db2.gz MLJRWYQXFSVOOP-VIFPVBQESA-O 1 0 289.193 2.628 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OCc1cccc2cnccc21 ZINC001223133847 776483493 /nfs/dbraw/zinc/48/34/93/776483493.db2.gz OEUYFMYJWJJWJQ-CYBMUJFWSA-N 1 0 259.373 2.846 20 5 CFBDRO CCOC(=O)CCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001228412331 776484364 /nfs/dbraw/zinc/48/43/64/776484364.db2.gz OWCABZBWGQZZFO-AWEZNQCLSA-N 1 0 294.415 2.656 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H](C)C[NH+](C)C ZINC001228570532 776524105 /nfs/dbraw/zinc/52/41/05/776524105.db2.gz DVKMMYUWCZRDTP-NSHDSACASA-N 1 0 252.314 2.541 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC001228570396 776524362 /nfs/dbraw/zinc/52/43/62/776524362.db2.gz CQUMJADQUXEFIR-ZDUSSCGKSA-N 1 0 264.325 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(Cl)c1Cl ZINC001228580149 776528248 /nfs/dbraw/zinc/52/82/48/776528248.db2.gz VCTRXHIBAGQHND-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2cccc(F)c21 ZINC001228734316 776590480 /nfs/dbraw/zinc/59/04/80/776590480.db2.gz GZOOWQUCKZSHBJ-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccc(F)c2n1 ZINC001228745912 776594990 /nfs/dbraw/zinc/59/49/90/776594990.db2.gz MPQAIMUSNUXBLJ-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228934842 776661149 /nfs/dbraw/zinc/66/11/49/776661149.db2.gz WBJDFSZHPRPJES-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001228933777 776662050 /nfs/dbraw/zinc/66/20/50/776662050.db2.gz JZQHQFYFUGGCRB-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229005227 776686195 /nfs/dbraw/zinc/68/61/95/776686195.db2.gz FQSPBPVJBFEPJJ-ZDUSSCGKSA-N 1 0 287.319 2.616 20 5 CFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C)CC1 ZINC001229177855 776743718 /nfs/dbraw/zinc/74/37/18/776743718.db2.gz NVLHXZSNZVPYSK-UHFFFAOYSA-N 1 0 292.335 2.661 20 5 CFBDRO CC[NH+]1CCC(OCc2cccc(C)c2[N+](=O)[O-])CC1 ZINC001223661453 776745805 /nfs/dbraw/zinc/74/58/05/776745805.db2.gz PYTOAOFOCBPPSC-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001229197054 776749791 /nfs/dbraw/zinc/74/97/91/776749791.db2.gz ADEWQOUPNXEECI-GFCCVEGCSA-N 1 0 282.315 2.905 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)C1 ZINC001229466147 776819690 /nfs/dbraw/zinc/81/96/90/776819690.db2.gz JTCWQNLTPPITJN-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO Cc1cc(O[C@H](C)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC001229469615 776822056 /nfs/dbraw/zinc/82/20/56/776822056.db2.gz IYRVNXRWURXZNF-LLVKDONJSA-N 1 0 252.314 2.541 20 5 CFBDRO C[C@@H](c1cccc(O[C@H](C[N+](=O)[O-])C2CC2)c1)[NH+](C)C ZINC001229627318 776858438 /nfs/dbraw/zinc/85/84/38/776858438.db2.gz OYNVQAOGEVIFDS-XHDPSFHLSA-N 1 0 278.352 2.743 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c2c1C(=O)CC2 ZINC001229842372 776902093 /nfs/dbraw/zinc/90/20/93/776902093.db2.gz CAMYFTLWZZXCML-JTQLQIEISA-N 1 0 282.791 2.942 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001230724636 777052089 /nfs/dbraw/zinc/05/20/89/777052089.db2.gz YTMMOHLZNKZYQM-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO CC[NH+]1CCC(Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226744380 777632643 /nfs/dbraw/zinc/63/26/43/777632643.db2.gz OBGLXCGSAVRCGE-UHFFFAOYSA-N 1 0 286.278 2.736 20 5 CFBDRO CC(=O)c1ccc(C)cc1O[C@H](C)C[N+](C)(C)C ZINC001227118949 777766412 /nfs/dbraw/zinc/76/64/12/777766412.db2.gz MZLQWELIJCNVOB-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001233558093 777990894 /nfs/dbraw/zinc/99/08/94/777990894.db2.gz YPRRSIQJOQZUQW-LBPRGKRZSA-N 1 0 279.340 2.550 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233597139 778004758 /nfs/dbraw/zinc/00/47/58/778004758.db2.gz IJVAYYFVLKNWID-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OC(F)F)cc1 ZINC001233643617 778022128 /nfs/dbraw/zinc/02/21/28/778022128.db2.gz KSQLWSCQGGQRPK-JTQLQIEISA-N 1 0 260.304 2.762 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)c([N+](=O)[O-])c(F)c1)C2 ZINC001233751255 778064890 /nfs/dbraw/zinc/06/48/90/778064890.db2.gz RZMKIKHRBWTNCS-MYJAWHEDSA-N 1 0 298.289 2.877 20 5 CFBDRO COc1cc(C)cc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001234227637 778189160 /nfs/dbraw/zinc/18/91/60/778189160.db2.gz JMMUKEIHDHREHU-NSHDSACASA-N 1 0 256.341 2.616 20 5 CFBDRO CCOc1ccc(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234231504 778189937 /nfs/dbraw/zinc/18/99/37/778189937.db2.gz JRGGURMVPKQRCY-NSHDSACASA-N 1 0 256.341 2.698 20 5 CFBDRO CC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)ccc1C ZINC001234321248 778207566 /nfs/dbraw/zinc/20/75/66/778207566.db2.gz GPJJZZGJFJXTJI-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO CC[C@H](C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000696143510 778848080 /nfs/dbraw/zinc/84/80/80/778848080.db2.gz LYZMCZQYHSCFBY-SMDDNHRTSA-N 1 0 266.341 2.654 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453119678 780415161 /nfs/dbraw/zinc/41/51/61/780415161.db2.gz MKCPSNCWWNFJRG-GJZGRUSLSA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000701095113 780757641 /nfs/dbraw/zinc/75/76/41/780757641.db2.gz UQDOJZRRRIFKIB-OCCSQVGLSA-N 1 0 296.754 2.905 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000702968835 780972629 /nfs/dbraw/zinc/97/26/29/780972629.db2.gz WBDPESABGGXLBB-NUYPLMSZSA-N 1 0 278.352 2.939 20 5 CFBDRO COC1CC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000703119636 780988111 /nfs/dbraw/zinc/98/81/11/780988111.db2.gz AYPQKVSMIFIREK-CDWSIMAYSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000704660919 781107280 /nfs/dbraw/zinc/10/72/80/781107280.db2.gz RICPBODAAFNOLX-VHSXEESVSA-N 1 0 287.722 2.940 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704797989 781118543 /nfs/dbraw/zinc/11/85/43/781118543.db2.gz OLPKRRLIBFAHLU-LLVKDONJSA-N 1 0 266.366 2.828 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccns2)c(F)c1 ZINC000709837242 781319306 /nfs/dbraw/zinc/31/93/06/781319306.db2.gz OKDNAVHUELQUCT-UHFFFAOYSA-N 1 0 281.312 2.523 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000709826690 781319637 /nfs/dbraw/zinc/31/96/37/781319637.db2.gz RZXZSDMCICCKGS-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229915525 781481581 /nfs/dbraw/zinc/48/15/81/781481581.db2.gz PXMFKMHHYHPJAO-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO Cc1ccc(NC(=O)[C@H]([NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC001118261200 781551123 /nfs/dbraw/zinc/55/11/23/781551123.db2.gz PMHLVEXHTBHKCE-CQSZACIVSA-N 1 0 291.351 2.749 20 5 CFBDRO COCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594509841 349434697 /nfs/dbraw/zinc/43/46/97/349434697.db2.gz IGFGTWDJSVSKMT-ZDUSSCGKSA-N 1 0 276.336 2.598 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000594513434 349436340 /nfs/dbraw/zinc/43/63/40/349436340.db2.gz YNSSVUSGAHYGTM-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cs1 ZINC000594519789 349440040 /nfs/dbraw/zinc/44/00/40/349440040.db2.gz LLUNGPIOVYNTER-CHWSQXEVSA-N 1 0 295.408 2.763 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594599424 349457184 /nfs/dbraw/zinc/45/71/84/349457184.db2.gz JSAGKPDFFGSYOA-UONOGXRCSA-N 1 0 290.367 2.727 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000594713367 349479624 /nfs/dbraw/zinc/47/96/24/349479624.db2.gz DWXAWDFRDSYAAX-AWEZNQCLSA-N 1 0 298.408 2.529 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594723190 349480069 /nfs/dbraw/zinc/48/00/69/349480069.db2.gz YRSDHJIANLMPKG-JKOKRWQUSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273056622 192032663 /nfs/dbraw/zinc/03/26/63/192032663.db2.gz LNMIWJQATQZFGL-LSDHHAIUSA-N 1 0 276.336 2.642 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000594950124 349525036 /nfs/dbraw/zinc/52/50/36/349525036.db2.gz IYDRXIZGDPTTPS-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594956232 349528423 /nfs/dbraw/zinc/52/84/23/349528423.db2.gz IRHZHFQOSYFADD-CQSZACIVSA-N 1 0 278.352 2.890 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594956185 349528578 /nfs/dbraw/zinc/52/85/78/349528578.db2.gz HTILUEISTHUPPJ-HNNXBMFYSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594958038 349529245 /nfs/dbraw/zinc/52/92/45/349529245.db2.gz XZNNUBLXQVBGHM-CQSZACIVSA-N 1 0 291.395 2.866 20 5 CFBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000273075417 192037026 /nfs/dbraw/zinc/03/70/26/192037026.db2.gz PGCVRDPHQAPMMT-STQMWFEESA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccncc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594968090 349533898 /nfs/dbraw/zinc/53/38/98/349533898.db2.gz NDMWMHCLTPGFED-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccoc1 ZINC000594979179 349537660 /nfs/dbraw/zinc/53/76/60/349537660.db2.gz GIWAMWKDLIRQJF-UHFFFAOYSA-N 1 0 290.319 2.919 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000594985903 349538717 /nfs/dbraw/zinc/53/87/17/349538717.db2.gz PKPFLYDXJBSDSF-DOMZBBRYSA-N 1 0 278.352 2.950 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594982985 349538924 /nfs/dbraw/zinc/53/89/24/349538924.db2.gz DHXSWLXMMUOJST-YPMHNXCESA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000594984459 349538936 /nfs/dbraw/zinc/53/89/36/349538936.db2.gz VNQOBERMCBNCKO-UHFFFAOYSA-N 1 0 290.363 2.544 20 5 CFBDRO Cc1cc(NC[C@H](O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000125120007 187170822 /nfs/dbraw/zinc/17/08/22/187170822.db2.gz OGWUIRIJDFAKKK-HNNXBMFYSA-N 1 0 289.335 2.880 20 5 CFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1=CCCC1)OCCO2 ZINC000594990223 349540964 /nfs/dbraw/zinc/54/09/64/349540964.db2.gz OKJLJRKRZZPPIY-UHFFFAOYSA-N 1 0 290.319 2.566 20 5 CFBDRO COc1ccc(C[NH2+][C@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000594994040 349541147 /nfs/dbraw/zinc/54/11/47/349541147.db2.gz BOSRSZOPVBAXME-CQSZACIVSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017859 349550638 /nfs/dbraw/zinc/55/06/38/349550638.db2.gz MEEMXKWFHDALQB-WDMOLILDSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000595018100 349552364 /nfs/dbraw/zinc/55/23/64/349552364.db2.gz QBBRIQVDQIAPOK-NWDGAFQWSA-N 1 0 294.351 2.681 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021584 349552735 /nfs/dbraw/zinc/55/27/35/349552735.db2.gz PWRPGEPRNDJEAH-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035382 349558490 /nfs/dbraw/zinc/55/84/90/349558490.db2.gz IQJNYPGBHNNCQJ-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CC(CF)(CF)C1 ZINC000595024470 349554257 /nfs/dbraw/zinc/55/42/57/349554257.db2.gz GFHAGGFLKBYLSN-UHFFFAOYSA-N 1 0 284.306 2.815 20 5 CFBDRO C[C@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595005940 349545014 /nfs/dbraw/zinc/54/50/14/349545014.db2.gz GLYVCFLKKRRBGM-LRDDRELGSA-N 1 0 286.331 2.807 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2COC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000595042666 349561743 /nfs/dbraw/zinc/56/17/43/349561743.db2.gz UVNNUZWKIMRBTR-ZDUSSCGKSA-N 1 0 276.336 2.704 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000595048837 349564039 /nfs/dbraw/zinc/56/40/39/349564039.db2.gz BXHRMGIWHIVWRB-IINYFYTJSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000595048340 349564118 /nfs/dbraw/zinc/56/41/18/349564118.db2.gz KKSKOMBLOMKJAC-MNOVXSKESA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](C)CCO ZINC000595040228 349560602 /nfs/dbraw/zinc/56/06/02/349560602.db2.gz DXHYMNYQGUUTHK-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO CC(C)[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000067905700 346826846 /nfs/dbraw/zinc/82/68/46/346826846.db2.gz IHQXUBVTOOCKTN-UHFFFAOYSA-N 1 0 269.370 2.941 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595088433 349577036 /nfs/dbraw/zinc/57/70/36/349577036.db2.gz BYTIZQRMPMWMLY-TUKIKUTGSA-N 1 0 290.363 2.857 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000595089823 349577403 /nfs/dbraw/zinc/57/74/03/349577403.db2.gz MRHXPZOHBMBLCF-ZLKJLUDKSA-N 1 0 276.336 2.549 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000595089821 349577614 /nfs/dbraw/zinc/57/76/14/349577614.db2.gz MRHXPZOHBMBLCF-GDLCADMTSA-N 1 0 276.336 2.549 20 5 CFBDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092663 349579204 /nfs/dbraw/zinc/57/92/04/349579204.db2.gz YUVNUMOVMDUWMI-SOUVJXGZSA-N 1 0 290.363 2.939 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000595092775 349579210 /nfs/dbraw/zinc/57/92/10/349579210.db2.gz WMUCHCJGVBFWMZ-GXTWGEPZSA-N 1 0 292.379 2.962 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092724 349579526 /nfs/dbraw/zinc/57/95/26/349579526.db2.gz ZRYJKWSSFBBTBK-ZLKJLUDKSA-N 1 0 276.336 2.549 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595092687 349579641 /nfs/dbraw/zinc/57/96/41/349579641.db2.gz ZBFHEEXJWGKIMF-LEWSCRJBSA-N 1 0 276.336 2.549 20 5 CFBDRO CC[NH+](CC)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067949419 346829074 /nfs/dbraw/zinc/82/90/74/346829074.db2.gz MGGWLTFYHLLSSR-UHFFFAOYSA-N 1 0 279.340 2.551 20 5 CFBDRO CCCN1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097150 349581358 /nfs/dbraw/zinc/58/13/58/349581358.db2.gz QIIDCTOWZIROGA-SWLSCSKDSA-N 1 0 289.379 2.656 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC000595101955 349582341 /nfs/dbraw/zinc/58/23/41/349582341.db2.gz GORPSGPMXPNQJR-SRVKXCTJSA-N 1 0 296.392 2.578 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000595105350 349583066 /nfs/dbraw/zinc/58/30/66/349583066.db2.gz DRFKSSWATAMDRX-MJBXVCDLSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595318439 349601078 /nfs/dbraw/zinc/60/10/78/349601078.db2.gz KXAKMTSSQDGBJJ-NSHDSACASA-N 1 0 267.329 2.903 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595342304 349606009 /nfs/dbraw/zinc/60/60/09/349606009.db2.gz AIQDFXJLSFBQKJ-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595342331 349606184 /nfs/dbraw/zinc/60/61/84/349606184.db2.gz AWCVJUKWAAIZAR-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccco1)[NH+](C)C ZINC000068658689 346862589 /nfs/dbraw/zinc/86/25/89/346862589.db2.gz LFZDADABNKQGQV-GFCCVEGCSA-N 1 0 290.323 2.606 20 5 CFBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595432562 349624194 /nfs/dbraw/zinc/62/41/94/349624194.db2.gz SBXCVWXYRWERFC-SCZZXKLOSA-N 1 0 253.302 2.560 20 5 CFBDRO Cc1noc(C[N@H+]2CCCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595440247 349627062 /nfs/dbraw/zinc/62/70/62/349627062.db2.gz OJAGJGHKLDKQOM-SECBINFHSA-N 1 0 253.302 2.513 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595438806 349627123 /nfs/dbraw/zinc/62/71/23/349627123.db2.gz CATZPFIVGUPNNP-IQJOONFLSA-N 1 0 267.329 2.806 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273113012 192046440 /nfs/dbraw/zinc/04/64/40/192046440.db2.gz XVVZJKLWTQKGNV-LSDHHAIUSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000595449948 349630006 /nfs/dbraw/zinc/63/00/06/349630006.db2.gz MSGVYGIAEPXRFT-MXWKQRLJSA-N 1 0 282.315 2.732 20 5 CFBDRO C[C@@H]1CSCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595463036 349635004 /nfs/dbraw/zinc/63/50/04/349635004.db2.gz YFEFQVBHEIPPFK-JTQLQIEISA-N 1 0 284.356 2.919 20 5 CFBDRO Cc1noc(C[N@H+](CC2CC2)CC2CCC2)c1[N+](=O)[O-] ZINC000595466886 349635523 /nfs/dbraw/zinc/63/55/23/349635523.db2.gz PBQKGIIVQRKXGI-UHFFFAOYSA-N 1 0 279.340 2.903 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595519722 349649507 /nfs/dbraw/zinc/64/95/07/349649507.db2.gz BTVBBLCXINZPMC-IAQYHMDHSA-N 1 0 296.342 2.981 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000595522791 349649769 /nfs/dbraw/zinc/64/97/69/349649769.db2.gz NTYYUXNDQKSJEM-NWJSVONSSA-N 1 0 291.351 2.759 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595523516 349650254 /nfs/dbraw/zinc/65/02/54/349650254.db2.gz RQAWCLDKVVALSL-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595560823 349659786 /nfs/dbraw/zinc/65/97/86/349659786.db2.gz FJAUGDLAPHCBEH-FZMZJTMJSA-N 1 0 276.336 2.978 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595565035 349661688 /nfs/dbraw/zinc/66/16/88/349661688.db2.gz YHURRQHLLOEVBM-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000272153969 290023013 /nfs/dbraw/zinc/02/30/13/290023013.db2.gz RLYSBEVTQRCBDB-GRYCIOLGSA-N 1 0 264.325 2.813 20 5 CFBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595643716 349687476 /nfs/dbraw/zinc/68/74/76/349687476.db2.gz ZAHRXCSFDOGIAV-SNVBAGLBSA-N 1 0 293.367 2.608 20 5 CFBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595642184 349687653 /nfs/dbraw/zinc/68/76/53/349687653.db2.gz QLZVWNHRQXZECS-VIFPVBQESA-N 1 0 255.318 2.806 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000125945175 187205593 /nfs/dbraw/zinc/20/55/93/187205593.db2.gz FPXJTWVTZNTVTB-SNVBAGLBSA-N 1 0 267.354 2.566 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000595679768 349698584 /nfs/dbraw/zinc/69/85/84/349698584.db2.gz XXLOYSNIRIJVRS-JQWIXIFHSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595695329 349705667 /nfs/dbraw/zinc/70/56/67/349705667.db2.gz GSLGOCNUEMVJAM-CMPLNLGQSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595695331 349706025 /nfs/dbraw/zinc/70/60/25/349706025.db2.gz GSLGOCNUEMVJAM-PWSUYJOCSA-N 1 0 284.381 2.639 20 5 CFBDRO CC[C@H]([NH2+]CC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157464881 529591471 /nfs/dbraw/zinc/59/14/71/529591471.db2.gz QFKTWSPXIBTTPO-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595756939 349725630 /nfs/dbraw/zinc/72/56/30/349725630.db2.gz HUWJVQHHSYIPIT-KYOSRNDESA-N 1 0 276.336 2.624 20 5 CFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000595764405 349726026 /nfs/dbraw/zinc/72/60/26/349726026.db2.gz BACDVKHBPOKMMB-ZDUSSCGKSA-N 1 0 291.351 2.620 20 5 CFBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414520988 529583420 /nfs/dbraw/zinc/58/34/20/529583420.db2.gz DOTOWIXJHBERRR-SBYGYFDASA-N 1 0 292.379 2.993 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1=CCSC1 ZINC000595895229 349764281 /nfs/dbraw/zinc/76/42/81/349764281.db2.gz GFXQLXDIEWOWHR-UHFFFAOYSA-N 1 0 294.376 2.579 20 5 CFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1ccccc1[N+](=O)[O-] ZINC000595903251 349765214 /nfs/dbraw/zinc/76/52/14/349765214.db2.gz OZJUACNAAOICIT-HNNXBMFYSA-N 1 0 297.358 2.875 20 5 CFBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595910224 349766395 /nfs/dbraw/zinc/76/63/95/349766395.db2.gz RTYAHNGTPXCUTI-NSHDSACASA-N 1 0 291.351 2.511 20 5 CFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CC1(C)C ZINC000595909483 349766746 /nfs/dbraw/zinc/76/67/46/349766746.db2.gz ORTUPQUQPIVIHH-SNVBAGLBSA-N 1 0 288.351 2.949 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596049483 349780734 /nfs/dbraw/zinc/78/07/34/349780734.db2.gz IVIOHUHVJJOJIG-SNVBAGLBSA-N 1 0 269.370 2.861 20 5 CFBDRO COc1cc(C[N@@H+]2CC3CC2(C)C3)ccc1[N+](=O)[O-] ZINC000595919113 349770108 /nfs/dbraw/zinc/77/01/08/349770108.db2.gz IHFNLXAGZQWDPS-UHFFFAOYSA-N 1 0 262.309 2.588 20 5 CFBDRO C[NH2+]C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000596106332 349795712 /nfs/dbraw/zinc/79/57/12/349795712.db2.gz OKDYUEJMWDVFSR-NSHDSACASA-N 1 0 289.335 2.552 20 5 CFBDRO C[NH2+]C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000596104428 349795538 /nfs/dbraw/zinc/79/55/38/349795538.db2.gz DXZYABQZIGFIAW-NSHDSACASA-N 1 0 289.335 2.552 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000596117491 349797687 /nfs/dbraw/zinc/79/76/87/349797687.db2.gz HLYOOPPOBJNXRZ-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO COc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000127881072 187338038 /nfs/dbraw/zinc/33/80/38/187338038.db2.gz YSDZOWXRXJCTLC-AWEZNQCLSA-N 1 0 296.392 2.979 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000127880828 187337997 /nfs/dbraw/zinc/33/79/97/187337997.db2.gz YSDZOWXRXJCTLC-CQSZACIVSA-N 1 0 296.392 2.979 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145948 349808194 /nfs/dbraw/zinc/80/81/94/349808194.db2.gz ITXMTAMSPHWVKZ-WPRPVWTQSA-N 1 0 269.370 2.859 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000072925719 346949653 /nfs/dbraw/zinc/94/96/53/346949653.db2.gz VFQNYVQURVINLK-UHFFFAOYSA-N 1 0 292.379 2.936 20 5 CFBDRO Cc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596205050 349826624 /nfs/dbraw/zinc/82/66/24/349826624.db2.gz FHUYMIAWHBLMBC-GFCCVEGCSA-N 1 0 283.397 2.741 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287320 347007418 /nfs/dbraw/zinc/00/74/18/347007418.db2.gz JBLWRKVIUALYIY-GJZGRUSLSA-N 1 0 278.352 2.720 20 5 CFBDRO C[NH+](C)CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000074401161 347011861 /nfs/dbraw/zinc/01/18/61/347011861.db2.gz XJWWCVRVLQPILY-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO CC(=O)c1ccc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596428608 349900546 /nfs/dbraw/zinc/90/05/46/349900546.db2.gz FRWYYQGFCINDFA-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO CC(=O)c1ccc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596428609 349900586 /nfs/dbraw/zinc/90/05/86/349900586.db2.gz FRWYYQGFCINDFA-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO C[N@H+]1CC=C(CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413231302 530047642 /nfs/dbraw/zinc/04/76/42/530047642.db2.gz SJYARRZXGXNLJA-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO C[NH+](C)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000097934299 232183425 /nfs/dbraw/zinc/18/34/25/232183425.db2.gz NKUOLIGBPHYERM-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295114501 199352025 /nfs/dbraw/zinc/35/20/25/199352025.db2.gz VMGSOIUWQLECCL-NFAWXSAZSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cc(N2CCC3(COC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596528810 349931384 /nfs/dbraw/zinc/93/13/84/349931384.db2.gz BSAGLBSBVWDLSH-UHFFFAOYSA-N 1 0 299.330 2.678 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000181337927 232402551 /nfs/dbraw/zinc/40/25/51/232402551.db2.gz AWMKOFXJLABIHU-LLVKDONJSA-N 1 0 292.314 2.590 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000295124804 199358322 /nfs/dbraw/zinc/35/83/22/199358322.db2.gz AFYDMROXUNWZDH-LBPRGKRZSA-N 1 0 286.278 2.530 20 5 CFBDRO Cc1c([C@H](C)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000596647728 349967568 /nfs/dbraw/zinc/96/75/68/349967568.db2.gz AFLABIBSXHROED-LBPRGKRZSA-N 1 0 277.368 2.825 20 5 CFBDRO CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000060484605 346666935 /nfs/dbraw/zinc/66/69/35/346666935.db2.gz ANVYULFBVOIHKB-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265004646 136598184 /nfs/dbraw/zinc/59/81/84/136598184.db2.gz VUPVPMWDFHHBMA-UHFFFAOYSA-N 1 0 263.341 2.562 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccncc2[N+](=O)[O-])C1 ZINC000066809146 346780810 /nfs/dbraw/zinc/78/08/10/346780810.db2.gz KURLQGLNZKGSPN-CHWSQXEVSA-N 1 0 292.383 2.770 20 5 CFBDRO CC(C)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000065962597 346745034 /nfs/dbraw/zinc/74/50/34/346745034.db2.gz ZYFPXXYTBFXWBY-UHFFFAOYSA-N 1 0 290.323 2.733 20 5 CFBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000066796557 346779593 /nfs/dbraw/zinc/77/95/93/346779593.db2.gz GFSYCQSKHRBRNR-CQSZACIVSA-N 1 0 298.346 2.676 20 5 CFBDRO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000075892216 347106059 /nfs/dbraw/zinc/10/60/59/347106059.db2.gz GMRTVQWXOCVQGO-GHMZBOCLSA-N 1 0 266.366 2.921 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000076111947 347122504 /nfs/dbraw/zinc/12/25/04/347122504.db2.gz VXENTNOWSDOWKR-PHIMTYICSA-N 1 0 264.325 2.691 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076800471 347155241 /nfs/dbraw/zinc/15/52/41/347155241.db2.gz FXUYLHJNESVCFW-CHWSQXEVSA-N 1 0 292.383 2.770 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC000078247159 347233599 /nfs/dbraw/zinc/23/35/99/347233599.db2.gz WBWHDRRXXBVFLR-LLVKDONJSA-N 1 0 292.364 2.766 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])s1 ZINC000078455748 347253704 /nfs/dbraw/zinc/25/37/04/347253704.db2.gz YLIIPLSBGNXOBU-LLVKDONJSA-N 1 0 283.397 2.967 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078583623 347263561 /nfs/dbraw/zinc/26/35/61/347263561.db2.gz JGLHRQDYEZPPOT-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1cnc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000078626908 347265430 /nfs/dbraw/zinc/26/54/30/347265430.db2.gz SPIMKXIWYAJXGK-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1cnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660445 347268461 /nfs/dbraw/zinc/26/84/61/347268461.db2.gz USXHNJIHSCXBBD-GFCCVEGCSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1cnc(N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000078669904 347269006 /nfs/dbraw/zinc/26/90/06/347269006.db2.gz RJFAHBDTLYYZMN-CYBMUJFWSA-N 1 0 292.383 2.609 20 5 CFBDRO CCC[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078868187 347277216 /nfs/dbraw/zinc/27/72/16/347277216.db2.gz ZWKZKKSYWLMGBF-LBPRGKRZSA-N 1 0 293.367 2.678 20 5 CFBDRO CC1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000087045790 347490855 /nfs/dbraw/zinc/49/08/55/347490855.db2.gz JPAZQZQNFGTHGH-UHFFFAOYSA-N 1 0 278.352 2.626 20 5 CFBDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000089513250 347520631 /nfs/dbraw/zinc/52/06/31/347520631.db2.gz GPGMBJCDEKJXEN-JTQLQIEISA-N 1 0 286.335 2.852 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000090774129 347556336 /nfs/dbraw/zinc/55/63/36/347556336.db2.gz FYYAASWYCYUHNV-NWANDNLSSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C1CC1)[NH+](C)C ZINC000091481414 347589100 /nfs/dbraw/zinc/58/91/00/347589100.db2.gz APMBOCIZQPSKOY-CQSZACIVSA-N 1 0 263.341 2.655 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103470148 347723038 /nfs/dbraw/zinc/72/30/38/347723038.db2.gz OBMXYLSAHGURDJ-SECBINFHSA-N 1 0 252.289 2.964 20 5 CFBDRO CCOc1cc(N[C@@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000111047623 347752066 /nfs/dbraw/zinc/75/20/66/347752066.db2.gz QHMAKNAGGKYNCO-CYBMUJFWSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@H]1CCC[C@](CNc2cccnc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000127030131 347839253 /nfs/dbraw/zinc/83/92/53/347839253.db2.gz CGJBPIPQZIGAIB-WFASDCNBSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)n1 ZINC000128910108 347855049 /nfs/dbraw/zinc/85/50/49/347855049.db2.gz HBRWOZSPDCQVEZ-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO COc1ccc(C[NH2+]CCCC2CC2)cc1[N+](=O)[O-] ZINC000130630082 347873111 /nfs/dbraw/zinc/87/31/11/347873111.db2.gz NHNZLKQBOQKEJD-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000086682618 179319982 /nfs/dbraw/zinc/31/99/82/179319982.db2.gz QHVVCLMKLVAKEU-SMDDNHRTSA-N 1 0 266.341 2.916 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152987109 347971517 /nfs/dbraw/zinc/97/15/17/347971517.db2.gz FOKPACLBCYLGCW-JSGCOSHPSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000153160622 347971773 /nfs/dbraw/zinc/97/17/73/347971773.db2.gz NSPHHWOLLSSOEH-JSGCOSHPSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000154654190 347981670 /nfs/dbraw/zinc/98/16/70/347981670.db2.gz SITULRXRYKONLL-UKRRQHHQSA-N 1 0 291.395 2.600 20 5 CFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCC1 ZINC000171971851 348084605 /nfs/dbraw/zinc/08/46/05/348084605.db2.gz SDKZDCVMYNZCLU-UHFFFAOYSA-N 1 0 292.335 2.693 20 5 CFBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184232764 348127259 /nfs/dbraw/zinc/12/72/59/348127259.db2.gz BSZLSCVLKPBEQK-VIFPVBQESA-N 1 0 282.315 2.973 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000086873579 179364803 /nfs/dbraw/zinc/36/48/03/179364803.db2.gz UFXCECCVHHJKOY-WCQYABFASA-N 1 0 264.325 2.815 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000231885591 348209646 /nfs/dbraw/zinc/20/96/46/348209646.db2.gz BLTUCAYJVJQHST-KGLIPLIRSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](O)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000232135357 348210908 /nfs/dbraw/zinc/21/09/08/348210908.db2.gz RDUSQGGLULZGKT-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000250748268 348288951 /nfs/dbraw/zinc/28/89/51/348288951.db2.gz BRRAXXVTBAFXGR-CHWSQXEVSA-N 1 0 295.408 2.763 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C1CC1 ZINC000252006923 348294595 /nfs/dbraw/zinc/29/45/95/348294595.db2.gz PJMINGMCHJCHFT-SNVBAGLBSA-N 1 0 264.325 2.834 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000255127506 348302963 /nfs/dbraw/zinc/30/29/63/348302963.db2.gz IMURSSXPSDOOMI-OICCZTGUSA-N 1 0 288.347 2.720 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000289886115 348350578 /nfs/dbraw/zinc/35/05/78/348350578.db2.gz SGSQYHFKINVKBC-OAHLLOKOSA-N 1 0 288.351 2.959 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000300611876 348369588 /nfs/dbraw/zinc/36/95/88/348369588.db2.gz RNUDAETZPCXNMX-OBJOEFQTSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cc(OC[C@@H]2CC[NH2+]C2)c(Cl)cc1[N+](=O)[O-] ZINC000310695162 348410569 /nfs/dbraw/zinc/41/05/69/348410569.db2.gz PBGQIIZQTKAMCY-SECBINFHSA-N 1 0 270.716 2.545 20 5 CFBDRO COc1cc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000312711959 348419985 /nfs/dbraw/zinc/41/99/85/348419985.db2.gz SXQUYWDXJMNBOZ-NSHDSACASA-N 1 0 281.356 2.664 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000320036050 348435263 /nfs/dbraw/zinc/43/52/63/348435263.db2.gz CCQBWEAFCUFJJD-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000273381244 192132571 /nfs/dbraw/zinc/13/25/71/192132571.db2.gz HQRAABMYKBZTAP-MQMHXKEQSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314202880 348425210 /nfs/dbraw/zinc/42/52/10/348425210.db2.gz TULXUHOXNOEDBM-GVXVVHGQSA-N 1 0 293.342 2.606 20 5 CFBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314202881 348425562 /nfs/dbraw/zinc/42/55/62/348425562.db2.gz TULXUHOXNOEDBM-LOWVWBTDSA-N 1 0 293.342 2.606 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1C ZINC000314663893 348426989 /nfs/dbraw/zinc/42/69/89/348426989.db2.gz PAZQXHDVIASTDV-LBPRGKRZSA-N 1 0 293.367 2.666 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000273409260 192141363 /nfs/dbraw/zinc/14/13/63/192141363.db2.gz HNYBSFARKNPFOF-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)CCCO ZINC000273411303 192141490 /nfs/dbraw/zinc/14/14/90/192141490.db2.gz ONQWWDAUVWZSMJ-UHFFFAOYSA-N 1 0 280.368 2.792 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCSC1 ZINC000273431721 192147302 /nfs/dbraw/zinc/14/73/02/192147302.db2.gz UDOFKSUHHVJHFZ-GFCCVEGCSA-N 1 0 266.366 2.888 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000403707957 348585908 /nfs/dbraw/zinc/58/59/08/348585908.db2.gz WKPKTSRDADQSFA-JHJVBQTASA-N 1 0 276.336 2.882 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000584750550 348711650 /nfs/dbraw/zinc/71/16/50/348711650.db2.gz MVTWOGSLSNJTAY-AAEUAGOBSA-N 1 0 266.341 2.979 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000588866370 348799619 /nfs/dbraw/zinc/79/96/19/348799619.db2.gz QFEIKFKTSDYAHK-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCCCCC2)c1 ZINC000589494290 348836298 /nfs/dbraw/zinc/83/62/98/348836298.db2.gz HOSHBBHYBPNIAY-UHFFFAOYSA-N 1 0 292.335 2.757 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000589501620 348836306 /nfs/dbraw/zinc/83/63/06/348836306.db2.gz TUKWAWOHPCIQAL-MNOVXSKESA-N 1 0 292.335 2.612 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccsc3[N+](=O)[O-])C2)C1 ZINC000590141958 348877477 /nfs/dbraw/zinc/87/74/77/348877477.db2.gz ZKFRBFGSJVUMAA-ZDUSSCGKSA-N 1 0 281.381 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000590595421 348912515 /nfs/dbraw/zinc/91/25/15/348912515.db2.gz NTDRARFYSXXDLO-ZBFHGGJFSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972130 348975741 /nfs/dbraw/zinc/97/57/41/348975741.db2.gz FGULUQRWYPDUKH-HIFRSBDPSA-N 1 0 276.336 2.514 20 5 CFBDRO CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591143744 348992485 /nfs/dbraw/zinc/99/24/85/348992485.db2.gz ORTVWYPDERGGFE-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444744 349022759 /nfs/dbraw/zinc/02/27/59/349022759.db2.gz LKVMYSJOHBOYAE-NWDGAFQWSA-N 1 0 293.342 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447865 349023130 /nfs/dbraw/zinc/02/31/30/349023130.db2.gz BCGJBKJHARYLSU-WOSRLPQWSA-N 1 0 289.379 2.648 20 5 CFBDRO O=[N+]([O-])c1cccc(/C=C\c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592357463 349108577 /nfs/dbraw/zinc/10/85/77/349108577.db2.gz GCCABFCGASKLBJ-ZHRWSRJISA-N 1 0 286.291 2.573 20 5 CFBDRO C[N@H+](CCC[C@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000592120685 349086116 /nfs/dbraw/zinc/08/61/16/349086116.db2.gz JZWGMXDHVQRBSR-HNNXBMFYSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1cc2cnn(CC3CC[NH2+]CC3)c2c(Cl)c1 ZINC000592163650 349093627 /nfs/dbraw/zinc/09/36/27/349093627.db2.gz FTPGWOWBLSAEON-UHFFFAOYSA-N 1 0 294.742 2.598 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)c(Cl)c1 ZINC000592357697 349108435 /nfs/dbraw/zinc/10/84/35/349108435.db2.gz KMFGAQQTQRVVQN-SNVBAGLBSA-N 1 0 294.698 2.723 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592438322 349119402 /nfs/dbraw/zinc/11/94/02/349119402.db2.gz KLTUEGCZSKJKCA-OAHLLOKOSA-N 1 0 289.379 2.668 20 5 CFBDRO CC(C)[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592432504 349119788 /nfs/dbraw/zinc/11/97/88/349119788.db2.gz NSKOHRGQZKIJIX-KEDPEKRHSA-N 1 0 289.379 2.538 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592485005 349127156 /nfs/dbraw/zinc/12/71/56/349127156.db2.gz MXNYFBQIHFZXRW-CZUORRHYSA-N 1 0 291.395 2.894 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C(C)C)C2CC2)c1 ZINC000592997428 349182860 /nfs/dbraw/zinc/18/28/60/349182860.db2.gz AIQXRBBFFKJJSK-UHFFFAOYSA-N 1 0 292.335 2.754 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414251097 233206440 /nfs/dbraw/zinc/20/64/40/233206440.db2.gz GVGPCNURPBXEOC-BHPKHCPMSA-N 1 0 292.379 2.929 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000593050142 349194491 /nfs/dbraw/zinc/19/44/91/349194491.db2.gz CANLPBHILKMCGW-ZWNOBZJWSA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@H](CO)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000593082470 349203703 /nfs/dbraw/zinc/20/37/03/349203703.db2.gz HMHUPXUJTMQHDX-OLZOCXBDSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H](CO)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593082148 349203886 /nfs/dbraw/zinc/20/38/86/349203886.db2.gz GNARWPPOWJAZFP-OLZOCXBDSA-N 1 0 292.379 2.996 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594020936 349355710 /nfs/dbraw/zinc/35/57/10/349355710.db2.gz NYYSUILBHICEDU-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)CCF)CCCC2 ZINC000593718395 349314386 /nfs/dbraw/zinc/31/43/86/349314386.db2.gz GBZKKTGOLKRPCR-WFASDCNBSA-N 1 0 296.342 2.672 20 5 CFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000594495247 349430263 /nfs/dbraw/zinc/43/02/63/349430263.db2.gz OXUBPQDOZWBXMI-CMPLNLGQSA-N 1 0 266.366 2.969 20 5 CFBDRO CCn1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594498293 349430872 /nfs/dbraw/zinc/43/08/72/349430872.db2.gz JYJRRTMWRSCVSG-CQSZACIVSA-N 1 0 286.335 2.588 20 5 CFBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503311 349432964 /nfs/dbraw/zinc/43/29/64/349432964.db2.gz UYVLFLHLTRDBRC-TYNCELHUSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414589532 233298401 /nfs/dbraw/zinc/29/84/01/233298401.db2.gz WZPYWCYHFRBKIL-DKIZZRPMSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000091008558 180086490 /nfs/dbraw/zinc/08/64/90/180086490.db2.gz MXVOYBJFHHABFR-NSHDSACASA-N 1 0 259.309 2.784 20 5 CFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000598635215 350298121 /nfs/dbraw/zinc/29/81/21/350298121.db2.gz WHOMNBBVBJDBHN-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000598648239 350301437 /nfs/dbraw/zinc/30/14/37/350301437.db2.gz PBIIOQHALARPHY-SNVBAGLBSA-N 1 0 256.252 2.730 20 5 CFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598682825 350310011 /nfs/dbraw/zinc/31/00/11/350310011.db2.gz PFASIHYEONEHSP-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO CC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598912187 350346588 /nfs/dbraw/zinc/34/65/88/350346588.db2.gz NHFVPGNBYGVRFY-UHFFFAOYSA-N 1 0 263.297 2.872 20 5 CFBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598987247 350354033 /nfs/dbraw/zinc/35/40/33/350354033.db2.gz INSDALNKFUZWQU-YGRLFVJLSA-N 1 0 296.754 2.905 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2cccnc2C)cc1[N+](=O)[O-] ZINC000598996760 350356239 /nfs/dbraw/zinc/35/62/39/350356239.db2.gz ZYYPGUCYFIHADG-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000599000850 350357287 /nfs/dbraw/zinc/35/72/87/350357287.db2.gz XRVYHYKMVXXGTQ-UOKLYIGXSA-N 1 0 270.354 2.558 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000599000371 350357340 /nfs/dbraw/zinc/35/73/40/350357340.db2.gz SGJDLNFNVMGCEV-LFNDISMMSA-N 1 0 282.315 2.635 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599000840 350357593 /nfs/dbraw/zinc/35/75/93/350357593.db2.gz XPWGPDWRAPTFHD-ASHKBJFXSA-N 1 0 278.352 2.805 20 5 CFBDRO C[N@H+](CCNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599026761 350360933 /nfs/dbraw/zinc/36/09/33/350360933.db2.gz FNXYKGBGJNBEHZ-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071825 350370497 /nfs/dbraw/zinc/37/04/97/350370497.db2.gz UKTBSNGFTDWCMY-KGLIPLIRSA-N 1 0 291.395 2.977 20 5 CFBDRO O=[N+]([O-])c1c(NCCC2(O)CCC2)ccc2cnccc21 ZINC000599074724 350371455 /nfs/dbraw/zinc/37/14/55/350371455.db2.gz VYGFCVAHZFLWOU-UHFFFAOYSA-N 1 0 287.319 2.860 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1COC1 ZINC000599081534 350372373 /nfs/dbraw/zinc/37/23/73/350372373.db2.gz OIKNQZPGZZONBQ-HIFRSBDPSA-N 1 0 290.363 2.542 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000599091256 350374032 /nfs/dbraw/zinc/37/40/32/350374032.db2.gz IYQQPTUZSBPMJN-RWMBFGLXSA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000599091915 350374154 /nfs/dbraw/zinc/37/41/54/350374154.db2.gz IKPQLDSBVMFBGF-SRVKXCTJSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000599141082 350383703 /nfs/dbraw/zinc/38/37/03/350383703.db2.gz ZLEFWWVJSJRDSN-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cnccn1 ZINC000271374777 191104657 /nfs/dbraw/zinc/10/46/57/191104657.db2.gz SBZPPVRVOUEWMN-GFCCVEGCSA-N 1 0 286.335 2.620 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCc3c(O)cccc3C2)c1 ZINC000599645850 350470673 /nfs/dbraw/zinc/47/06/73/350470673.db2.gz GMVIWFBZYMCJKG-UHFFFAOYSA-N 1 0 284.315 2.859 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108078435 186203221 /nfs/dbraw/zinc/20/32/21/186203221.db2.gz MPEBGUSYBPTCJY-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600708220 350599441 /nfs/dbraw/zinc/59/94/41/350599441.db2.gz KBZQKPCKDMLCMO-WFASDCNBSA-N 1 0 289.379 2.838 20 5 CFBDRO C[NH2+]CC1(c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000600789504 350611949 /nfs/dbraw/zinc/61/19/49/350611949.db2.gz TULKURFGNUTXCO-UHFFFAOYSA-N 1 0 283.331 2.908 20 5 CFBDRO CC[NH+]1CCC(CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601120486 350673772 /nfs/dbraw/zinc/67/37/72/350673772.db2.gz HFWAMBQOMXZHGJ-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601225871 350702599 /nfs/dbraw/zinc/70/25/99/350702599.db2.gz ATWSCSYPWLKIRS-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000601229324 350703326 /nfs/dbraw/zinc/70/33/26/350703326.db2.gz MGWXSKNDNMJNTC-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000601173851 350688691 /nfs/dbraw/zinc/68/86/91/350688691.db2.gz KIZRXWLBOXAUCA-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000601191471 350692851 /nfs/dbraw/zinc/69/28/51/350692851.db2.gz JYSOMJWCWYLAIK-GFCCVEGCSA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@H]([NH2+]CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000111159150 186361671 /nfs/dbraw/zinc/36/16/71/186361671.db2.gz QAGWLXDSPHPLMV-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601289112 350717645 /nfs/dbraw/zinc/71/76/45/350717645.db2.gz IDVSZGMEFZFZNV-RISCZKNCSA-N 1 0 278.352 2.723 20 5 CFBDRO CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298791 350719074 /nfs/dbraw/zinc/71/90/74/350719074.db2.gz LMGIWPLEYBQZID-VXGBXAGGSA-N 1 0 288.294 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccon2)cc1 ZINC000602012320 350830395 /nfs/dbraw/zinc/83/03/95/350830395.db2.gz UDNRJPQBIJSZTP-UHFFFAOYSA-N 1 0 275.308 2.695 20 5 CFBDRO CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602504490 350907809 /nfs/dbraw/zinc/90/78/09/350907809.db2.gz RCMIGVXYTWMGDB-UHFFFAOYSA-N 1 0 279.159 2.918 20 5 CFBDRO CC(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602504247 350907980 /nfs/dbraw/zinc/90/79/80/350907980.db2.gz MGURKPWRWAYHBR-UHFFFAOYSA-N 1 0 292.383 2.594 20 5 CFBDRO CCC(CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602505050 350908360 /nfs/dbraw/zinc/90/83/60/350908360.db2.gz RRSODNAPMPWFAQ-UHFFFAOYSA-N 1 0 292.383 2.737 20 5 CFBDRO COCCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602531524 350916231 /nfs/dbraw/zinc/91/62/31/350916231.db2.gz JBOCVWRUZSTJCS-UHFFFAOYSA-N 1 0 293.323 2.642 20 5 CFBDRO CSC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552254 350921828 /nfs/dbraw/zinc/92/18/28/350921828.db2.gz MFLCIMWUBVOJAK-MRVPVSSYSA-N 1 0 281.337 2.577 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000602564542 350926714 /nfs/dbraw/zinc/92/67/14/350926714.db2.gz AMNJKPZTJQUTDQ-SECBINFHSA-N 1 0 293.348 2.721 20 5 CFBDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602568306 350927906 /nfs/dbraw/zinc/92/79/06/350927906.db2.gz JJTXIMXKRDECRJ-UONOGXRCSA-N 1 0 292.383 2.906 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCS3)nc2c1 ZINC000602570113 350928637 /nfs/dbraw/zinc/92/86/37/350928637.db2.gz UKEULERMYDQGRZ-SNVBAGLBSA-N 1 0 293.348 2.721 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000602579188 350932200 /nfs/dbraw/zinc/93/22/00/350932200.db2.gz BMOFMOBMHWYGIF-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CC1(F)F ZINC000602580576 350932399 /nfs/dbraw/zinc/93/23/99/350932399.db2.gz OIYPCLSZHISPNS-JOYOIKCWSA-N 1 0 270.279 2.771 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])n1 ZINC000602440120 350884087 /nfs/dbraw/zinc/88/40/87/350884087.db2.gz ODTXWNDHODUWGY-AWEZNQCLSA-N 1 0 292.383 2.873 20 5 CFBDRO COCC1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602700191 350986120 /nfs/dbraw/zinc/98/61/20/350986120.db2.gz LVCDOCWYVRCUKH-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO CC(C)(F)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602710354 350992818 /nfs/dbraw/zinc/99/28/18/350992818.db2.gz JHZROZDWEZWOLX-UHFFFAOYSA-N 1 0 281.287 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000602720990 350999626 /nfs/dbraw/zinc/99/96/26/350999626.db2.gz NWNIPWDTUTXQHU-CQSZACIVSA-N 1 0 278.352 2.544 20 5 CFBDRO CCC(CC)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602731465 351004213 /nfs/dbraw/zinc/00/42/13/351004213.db2.gz KHEHZRRSMAQQSV-HNNXBMFYSA-N 1 0 280.368 2.828 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C1CC1)C1CCCCC1 ZINC000602762404 351016912 /nfs/dbraw/zinc/01/69/12/351016912.db2.gz IBTRHIOBJAXNHF-UHFFFAOYSA-N 1 0 292.383 2.897 20 5 CFBDRO CCC1(C)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602772625 351020557 /nfs/dbraw/zinc/02/05/57/351020557.db2.gz VUHCJXFVJJVMAQ-UHFFFAOYSA-N 1 0 280.372 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccsc1 ZINC000602822388 351037959 /nfs/dbraw/zinc/03/79/59/351037959.db2.gz CPACDGOBFSSQQH-VIFPVBQESA-N 1 0 280.353 2.512 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000602821274 351038066 /nfs/dbraw/zinc/03/80/66/351038066.db2.gz OIGVDBKBBWOCBA-ZDUSSCGKSA-N 1 0 294.399 2.858 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000271423360 191129365 /nfs/dbraw/zinc/12/93/65/191129365.db2.gz CHQMFMLRUKOTDZ-DGCLKSJQSA-N 1 0 288.351 2.839 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000602831964 351039910 /nfs/dbraw/zinc/03/99/10/351039910.db2.gz MVTGPTRHNQZFLK-QWHCGFSZSA-N 1 0 292.383 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000602838035 351040804 /nfs/dbraw/zinc/04/08/04/351040804.db2.gz RRHXCZJMGRWMIM-DYEKYZERSA-N 1 0 294.399 2.904 20 5 CFBDRO CCCC[C@@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602835405 351041051 /nfs/dbraw/zinc/04/10/51/351041051.db2.gz AVJUTCKZLXZFMV-LLVKDONJSA-N 1 0 268.361 2.610 20 5 CFBDRO Cn1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846939 351044210 /nfs/dbraw/zinc/04/42/10/351044210.db2.gz UEUSICZIYJBJST-STQMWFEESA-N 1 0 294.399 2.975 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602898443 351060253 /nfs/dbraw/zinc/06/02/53/351060253.db2.gz FBZUZEWSDKSDQF-DGCLKSJQSA-N 1 0 280.372 2.610 20 5 CFBDRO CC[C@]1(O)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602982245 351083660 /nfs/dbraw/zinc/08/36/60/351083660.db2.gz PMTSZOUVKJCMDI-DOMZBBRYSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997665 351088052 /nfs/dbraw/zinc/08/80/52/351088052.db2.gz OPTZLXAQQMBLEN-JYJNAYRXSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C3CCC3)CC2)n1 ZINC000602999346 351089452 /nfs/dbraw/zinc/08/94/52/351089452.db2.gz FDAVUNQWULSBDL-AWEZNQCLSA-N 1 0 292.383 2.694 20 5 CFBDRO CC[C@H]([NH3+])c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248409 351125381 /nfs/dbraw/zinc/12/53/81/351125381.db2.gz CLHFJNQSHRUAQV-MFKMUULPSA-N 1 0 289.339 2.514 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000603435789 351164068 /nfs/dbraw/zinc/16/40/68/351164068.db2.gz ZGVDBZISESKYDF-BZPMIXESSA-N 1 0 277.368 2.543 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2C3CCC2CC3)c1 ZINC000603661657 351177513 /nfs/dbraw/zinc/17/75/13/351177513.db2.gz NHSAFMRAFZFAMS-UHFFFAOYSA-N 1 0 262.309 2.600 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609258339 351493989 /nfs/dbraw/zinc/49/39/89/351493989.db2.gz SWMNFVODLGLEGN-OAHLLOKOSA-N 1 0 286.335 2.628 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609384335 351499871 /nfs/dbraw/zinc/49/98/71/351499871.db2.gz KMIYOWGTGNVIGG-LBPRGKRZSA-N 1 0 279.315 2.630 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000609560495 351507220 /nfs/dbraw/zinc/50/72/20/351507220.db2.gz PBPZVWGKLKYFKQ-NSHDSACASA-N 1 0 281.381 2.721 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157291 351489910 /nfs/dbraw/zinc/48/99/10/351489910.db2.gz BGTVGNLOCMJZRB-AWEZNQCLSA-N 1 0 286.335 2.628 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609204248 351492032 /nfs/dbraw/zinc/49/20/32/351492032.db2.gz YRUMHMALACOPFF-STQMWFEESA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCC1CC1)OCCO2 ZINC000609902128 351527030 /nfs/dbraw/zinc/52/70/30/351527030.db2.gz CRQPHFYFXMFEGJ-UHFFFAOYSA-N 1 0 292.335 2.646 20 5 CFBDRO CC(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN(C)C ZINC000610560148 351582490 /nfs/dbraw/zinc/58/24/90/351582490.db2.gz HMGIHSFIFIALST-UHFFFAOYSA-N 1 0 293.411 2.657 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccc1C ZINC000610681748 351592571 /nfs/dbraw/zinc/59/25/71/351592571.db2.gz OUKIYRFZDQLMPN-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000610762796 351605453 /nfs/dbraw/zinc/60/54/53/351605453.db2.gz WXXRSLIFLIRATH-NWDGAFQWSA-N 1 0 262.309 2.588 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000611133197 351643599 /nfs/dbraw/zinc/64/35/99/351643599.db2.gz FQDZFRIGLQTTAJ-AWEZNQCLSA-N 1 0 284.319 2.588 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000610929232 351622528 /nfs/dbraw/zinc/62/25/28/351622528.db2.gz IOHIGCIZAYMHLD-NSHDSACASA-N 1 0 298.774 2.610 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](CCO)C1 ZINC000611268942 351660912 /nfs/dbraw/zinc/66/09/12/351660912.db2.gz MNEDTTITFIWKQS-ZBKLQPJUSA-N 1 0 290.363 2.702 20 5 CFBDRO C[NH+](C)[C@@]1(CNc2sccc2[N+](=O)[O-])CCSC1 ZINC000611413412 351687045 /nfs/dbraw/zinc/68/70/45/351687045.db2.gz PEXMDZSEUWPIOP-LLVKDONJSA-N 1 0 287.410 2.506 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611297160 351665564 /nfs/dbraw/zinc/66/55/64/351665564.db2.gz ZWUTXKABVZFGKX-UHFFFAOYSA-N 1 0 296.290 2.623 20 5 CFBDRO CCC1(O)CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000611314537 351668415 /nfs/dbraw/zinc/66/84/15/351668415.db2.gz BWMQKADRVCMQAI-UHFFFAOYSA-N 1 0 278.352 2.768 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000611337480 351669986 /nfs/dbraw/zinc/66/99/86/351669986.db2.gz PPCXQEIGRKHYCZ-DGCLKSJQSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CC1 ZINC000611337434 351670105 /nfs/dbraw/zinc/67/01/05/351670105.db2.gz FCJQUSFMYGPAHS-WFASDCNBSA-N 1 0 292.379 2.667 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000611370316 351675393 /nfs/dbraw/zinc/67/53/93/351675393.db2.gz XXJFZEPGZAAANI-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H](OC(F)F)C2)c1 ZINC000611578775 351711559 /nfs/dbraw/zinc/71/15/59/351711559.db2.gz RZPITYZQNPNICW-GFCCVEGCSA-N 1 0 286.278 2.798 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000611617348 351715149 /nfs/dbraw/zinc/71/51/49/351715149.db2.gz YUQBYJDTCUGTEK-NWDGAFQWSA-N 1 0 290.367 2.644 20 5 CFBDRO CC(C)OCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000612593494 351841305 /nfs/dbraw/zinc/84/13/05/351841305.db2.gz FGAUCDVAAKKTPU-FNORWQNLSA-N 1 0 264.325 2.623 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123404778 187090269 /nfs/dbraw/zinc/09/02/69/187090269.db2.gz FXTOWQCVDUFUAX-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123550753 187097950 /nfs/dbraw/zinc/09/79/50/187097950.db2.gz XNTAAAPJWOCPKI-ZDUSSCGKSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1 ZINC000614408607 352090721 /nfs/dbraw/zinc/09/07/21/352090721.db2.gz PZRFSLIRLOZELY-XHDPSFHLSA-N 1 0 276.336 2.767 20 5 CFBDRO C[NH+](C)C1(CNc2sccc2[N+](=O)[O-])CCC1 ZINC000614978487 352138199 /nfs/dbraw/zinc/13/81/99/352138199.db2.gz SHOQZNLMJOFJRF-UHFFFAOYSA-N 1 0 255.343 2.553 20 5 CFBDRO CC[N@H+](CCOC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615833537 352247609 /nfs/dbraw/zinc/24/76/09/352247609.db2.gz YQHSZCTYPSAVDL-JLHYYAGUSA-N 1 0 278.352 2.966 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000616094647 352283804 /nfs/dbraw/zinc/28/38/04/352283804.db2.gz ODKBBLJBBACYOQ-OUCADQQQSA-N 1 0 278.352 2.715 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271513352 191185105 /nfs/dbraw/zinc/18/51/05/191185105.db2.gz PDBXFXBTFQKKLO-IJLUTSLNSA-N 1 0 266.341 2.977 20 5 CFBDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000271528509 191193699 /nfs/dbraw/zinc/19/36/99/191193699.db2.gz WIDAYRXATAIVEH-SNVBAGLBSA-N 1 0 290.323 2.570 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H](C(F)F)C3)nc2c1 ZINC000618291155 352749696 /nfs/dbraw/zinc/74/96/96/352749696.db2.gz PBIMZRQOUBTYNT-MRVPVSSYSA-N 1 0 296.277 2.558 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000618579292 352818129 /nfs/dbraw/zinc/81/81/29/352818129.db2.gz LTKUKTCXJDMFGL-IIAWOOMASA-N 1 0 290.363 2.683 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000619427228 353021519 /nfs/dbraw/zinc/02/15/19/353021519.db2.gz JDBFQWBROOPTFO-KBPBESRZSA-N 1 0 278.352 2.685 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000619531000 353033405 /nfs/dbraw/zinc/03/34/05/353033405.db2.gz LKWHGXARJHMNKK-SNVBAGLBSA-N 1 0 264.325 2.834 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271657740 191261784 /nfs/dbraw/zinc/26/17/84/191261784.db2.gz KNCPQFZFYLAOOH-HNNXBMFYSA-N 1 0 286.331 2.808 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000152322241 188009504 /nfs/dbraw/zinc/00/95/04/188009504.db2.gz XLNROQVQASWOTA-ZIAGYGMSSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCCCCO)C2CC2)c1 ZINC000153285722 188074219 /nfs/dbraw/zinc/07/42/19/188074219.db2.gz ZPRCPFYQHGCXOL-UHFFFAOYSA-N 1 0 278.352 2.722 20 5 CFBDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000271666641 191267280 /nfs/dbraw/zinc/26/72/80/191267280.db2.gz MFDFRBDENCBPOK-LLVKDONJSA-N 1 0 262.309 2.592 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154478865 188144806 /nfs/dbraw/zinc/14/48/06/188144806.db2.gz WFWZLAFADHGUHC-GOEBONIOSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154479058 188145178 /nfs/dbraw/zinc/14/51/78/188145178.db2.gz WFWZLAFADHGUHC-GDBMZVCRSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000157220339 188304025 /nfs/dbraw/zinc/30/40/25/188304025.db2.gz XJZHIDHIBZAIHG-MVWJERBFSA-N 1 0 266.341 2.571 20 5 CFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000157464754 188318817 /nfs/dbraw/zinc/31/88/17/188318817.db2.gz HHIAWIUWKPJTSP-OAHLLOKOSA-N 1 0 288.351 2.778 20 5 CFBDRO C[N@H+](CCc1nccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000157729986 188335216 /nfs/dbraw/zinc/33/52/16/188335216.db2.gz VFBPFFNKAFWCFT-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000158244145 188365111 /nfs/dbraw/zinc/36/51/11/188365111.db2.gz YQKNTNRWJSPNOF-KGLIPLIRSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2C[NH+]2CCCC2)cs1 ZINC000171708560 188755352 /nfs/dbraw/zinc/75/53/52/188755352.db2.gz SNLRHTXPFKAJHW-ZDUSSCGKSA-N 1 0 295.408 2.717 20 5 CFBDRO CCC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])COC1 ZINC000449597150 535298038 /nfs/dbraw/zinc/29/80/38/535298038.db2.gz DDMJBSYUHVTTLI-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273002903 192013793 /nfs/dbraw/zinc/01/37/93/192013793.db2.gz RJZVSFNZNVZGOJ-SNVBAGLBSA-N 1 0 279.315 2.796 20 5 CFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000567871008 290501617 /nfs/dbraw/zinc/50/16/17/290501617.db2.gz GNMXRUPIBPGNBW-QGZVFWFLSA-N 1 0 297.358 2.653 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294515281 199068519 /nfs/dbraw/zinc/06/85/19/199068519.db2.gz YYQMIOSMHCSKQK-LBPRGKRZSA-N 1 0 284.743 2.905 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294551146 199082154 /nfs/dbraw/zinc/08/21/54/199082154.db2.gz AWWYTHSPRDAIIB-GFCCVEGCSA-N 1 0 284.743 2.905 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000294596449 199100496 /nfs/dbraw/zinc/10/04/96/199100496.db2.gz DAXOKCAJWLKOHX-HZMBPMFUSA-N 1 0 295.383 2.889 20 5 CFBDRO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296184160 199810422 /nfs/dbraw/zinc/81/04/22/199810422.db2.gz YANPDNONDNKDBL-OLZOCXBDSA-N 1 0 288.351 2.921 20 5 CFBDRO CC(C)(O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274818337 192792301 /nfs/dbraw/zinc/79/23/01/192792301.db2.gz XIEHAHPRSLGANT-CQSZACIVSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000297151536 200098860 /nfs/dbraw/zinc/09/88/60/200098860.db2.gz CJQCWCAMTIDATC-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO CCn1ccnc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000297603866 200238894 /nfs/dbraw/zinc/23/88/94/200238894.db2.gz IEFYIKCMNOZUJR-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000177423865 189050181 /nfs/dbraw/zinc/05/01/81/189050181.db2.gz WMZOCYKMPRBGOL-IAQYHMDHSA-N 1 0 292.335 2.541 20 5 CFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177913641 189078913 /nfs/dbraw/zinc/07/89/13/189078913.db2.gz IOQPZPPMZSYDFQ-UTUOFQBUSA-N 1 0 291.351 2.652 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178670663 189136170 /nfs/dbraw/zinc/13/61/70/189136170.db2.gz ILGFCIYJVRNEOL-CMPLNLGQSA-N 1 0 266.341 2.836 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423260222 238317232 /nfs/dbraw/zinc/31/72/32/238317232.db2.gz GZHRGHNTUMMYEX-GXTWGEPZSA-N 1 0 279.384 2.927 20 5 CFBDRO Cc1c([C@H](C)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272260 238330613 /nfs/dbraw/zinc/33/06/13/238330613.db2.gz JTOMMWNOKNCPJU-WCQYABFASA-N 1 0 265.357 2.537 20 5 CFBDRO Cc1c([C@@H](C)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272261 238330694 /nfs/dbraw/zinc/33/06/94/238330694.db2.gz JTOMMWNOKNCPJU-YPMHNXCESA-N 1 0 265.357 2.537 20 5 CFBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301337815 200979517 /nfs/dbraw/zinc/97/95/17/200979517.db2.gz HAPKLVQYAZBWKW-NSHDSACASA-N 1 0 265.357 2.983 20 5 CFBDRO Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301414665 201000576 /nfs/dbraw/zinc/00/05/76/201000576.db2.gz BBAXXLWWWBPLCB-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000182127093 189314507 /nfs/dbraw/zinc/31/45/07/189314507.db2.gz RZWJGXWQWQGEIL-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000182831827 189337108 /nfs/dbraw/zinc/33/71/08/189337108.db2.gz LJXYZMCFOFOKKZ-CQSZACIVSA-N 1 0 288.351 2.612 20 5 CFBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000182876623 189337781 /nfs/dbraw/zinc/33/77/81/189337781.db2.gz TVTWSYJJJMCSAV-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000183060308 189344452 /nfs/dbraw/zinc/34/44/52/189344452.db2.gz TTXPOKPKALYEFK-RYUDHWBXSA-N 1 0 293.367 2.582 20 5 CFBDRO CCC(CC)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183477372 189359457 /nfs/dbraw/zinc/35/94/57/189359457.db2.gz AKXXWFNNGBETKH-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1nc(N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301694174 201142098 /nfs/dbraw/zinc/14/20/98/201142098.db2.gz ZTMSTQQYSDPDDA-LLVKDONJSA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1cccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1C ZINC000183707161 189366009 /nfs/dbraw/zinc/36/60/09/189366009.db2.gz SSICTZQAEDFFEC-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301773126 201187826 /nfs/dbraw/zinc/18/78/26/201187826.db2.gz GKXZYXZQKRWCSO-JTQLQIEISA-N 1 0 299.321 2.794 20 5 CFBDRO C[C@H](CCCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192949895 189632147 /nfs/dbraw/zinc/63/21/47/189632147.db2.gz NUWZSDIZHJHVSV-IAQYHMDHSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433295977 240140251 /nfs/dbraw/zinc/14/02/51/240140251.db2.gz GMIODZUDFWVOJV-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCCCO ZINC000435049312 240287040 /nfs/dbraw/zinc/28/70/40/240287040.db2.gz FICRYRNCEOFAQA-CLFYSBASSA-N 1 0 278.352 2.702 20 5 CFBDRO CCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275470380 193050736 /nfs/dbraw/zinc/05/07/36/193050736.db2.gz LVMKVRYUGXAHQJ-UHFFFAOYSA-N 1 0 297.330 2.794 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000443693514 241084535 /nfs/dbraw/zinc/08/45/35/241084535.db2.gz MYEIDPIDBQTXJI-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+](C)C ZINC000443431857 241062297 /nfs/dbraw/zinc/06/22/97/241062297.db2.gz PJCGOJOGZCYGMS-QMMMGPOBSA-N 1 0 289.282 2.558 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000446715863 241315354 /nfs/dbraw/zinc/31/53/54/241315354.db2.gz FPCOAGHQDHSKSW-ZDUSSCGKSA-N 1 0 278.352 2.952 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccoc2)n1 ZINC000447542580 241383026 /nfs/dbraw/zinc/38/30/26/241383026.db2.gz PLTBIGTUIACDJK-STQMWFEESA-N 1 0 290.323 2.658 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000449174086 241744944 /nfs/dbraw/zinc/74/49/44/241744944.db2.gz HFNZGRVRNQBYRQ-GFCCVEGCSA-N 1 0 273.336 2.654 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449141582 241721503 /nfs/dbraw/zinc/72/15/03/241721503.db2.gz FBHPNHGCZAEHAC-ZOWXZIJZSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000449230041 241779450 /nfs/dbraw/zinc/77/94/50/241779450.db2.gz GYUZLVJJYFXKCY-VNHYZAJKSA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@](C)(C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449338333 241858923 /nfs/dbraw/zinc/85/89/23/241858923.db2.gz VJKXXGAXDUJSKA-BLLLJJGKSA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635644 242084741 /nfs/dbraw/zinc/08/47/41/242084741.db2.gz UZYZIUQVBWUVMU-HUUCEWRRSA-N 1 0 290.363 2.984 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449625421 242074533 /nfs/dbraw/zinc/07/45/33/242074533.db2.gz RTNLHCNSFRWWNX-BRLPQQTGSA-N 1 0 276.336 2.623 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000449550314 242021138 /nfs/dbraw/zinc/02/11/38/242021138.db2.gz CONCDCDAVOYTAQ-YCPHGPKFSA-N 1 0 290.363 2.578 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688877 242108534 /nfs/dbraw/zinc/10/85/34/242108534.db2.gz WQKAINOIGQATSD-INIZCTEOSA-N 1 0 290.363 2.906 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)[C@H](O)CC ZINC000449637287 242086475 /nfs/dbraw/zinc/08/64/75/242086475.db2.gz GGHYHLRYOYRMHI-UONOGXRCSA-N 1 0 296.367 2.633 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000449781225 242157096 /nfs/dbraw/zinc/15/70/96/242157096.db2.gz WNGDSXYCBRDPOP-PAQXCSQUSA-N 1 0 290.363 2.701 20 5 CFBDRO CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551327 242885097 /nfs/dbraw/zinc/88/50/97/242885097.db2.gz UHBQVZHGIOHAAQ-ZBFHGGJFSA-N 1 0 292.379 2.935 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000304446816 299383488 /nfs/dbraw/zinc/38/34/88/299383488.db2.gz KXAAHLHPWHBWSU-NILFDRSVSA-N 1 0 278.352 2.797 20 5 CFBDRO COC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452097014 243045410 /nfs/dbraw/zinc/04/54/10/243045410.db2.gz YRLIAZPGWUWIIS-OAHLLOKOSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)nc1 ZINC000453595105 243610700 /nfs/dbraw/zinc/61/07/00/243610700.db2.gz DDPVEQWIJYYZNG-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000276171630 193231819 /nfs/dbraw/zinc/23/18/19/193231819.db2.gz CTSSJFIHTNHASP-UHFFFAOYSA-N 1 0 266.341 2.626 20 5 CFBDRO CCOC(CC[NH2+]Cc1csc([N+](=O)[O-])c1)OCC ZINC000276287750 193272274 /nfs/dbraw/zinc/27/22/74/193272274.db2.gz YYQPLSVRIPTRFO-UHFFFAOYSA-N 1 0 288.369 2.535 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000276430447 193327846 /nfs/dbraw/zinc/32/78/46/193327846.db2.gz POUAPMZCSFBTMP-WOPDTQHZSA-N 1 0 264.325 2.813 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000459768744 245313867 /nfs/dbraw/zinc/31/38/67/245313867.db2.gz QQUPWYNFFKZXHC-FRRDWIJNSA-N 1 0 276.336 2.882 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459795896 245331599 /nfs/dbraw/zinc/33/15/99/245331599.db2.gz YCNKAEPQYDUHJC-BYCMXARLSA-N 1 0 276.336 2.752 20 5 CFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459749274 245301985 /nfs/dbraw/zinc/30/19/85/245301985.db2.gz KJSFVYWQCIZBRH-HOSRBBHYSA-N 1 0 286.335 2.692 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000459798863 245332722 /nfs/dbraw/zinc/33/27/22/245332722.db2.gz YDUJRPDICKCYSF-GHMZBOCLSA-N 1 0 282.365 2.704 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000459798871 245333177 /nfs/dbraw/zinc/33/31/77/245333177.db2.gz YDUJRPDICKCYSF-WDEREUQCSA-N 1 0 282.365 2.704 20 5 CFBDRO Cc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955198 245374535 /nfs/dbraw/zinc/37/45/35/245374535.db2.gz FCTKBMRVYYQCIB-PWSUYJOCSA-N 1 0 281.331 2.937 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000003538711 371807404 /nfs/dbraw/zinc/80/74/04/371807404.db2.gz PIKLWVNMWWQPAP-LBPRGKRZSA-N 1 0 291.351 2.654 20 5 CFBDRO CCC[C@@H]([NH2+]CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020083755 372225305 /nfs/dbraw/zinc/22/53/05/372225305.db2.gz GCZXYRCNBRKFJZ-CQSZACIVSA-N 1 0 265.357 2.587 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092314 372229121 /nfs/dbraw/zinc/22/91/21/372229121.db2.gz ZNMUQAXHEDAYDL-LLVKDONJSA-N 1 0 252.314 2.672 20 5 CFBDRO CCC[C@H]([NH2+]CC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036781479 372592011 /nfs/dbraw/zinc/59/20/11/372592011.db2.gz GNCNTAHNRCPYCV-AWEZNQCLSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000037985902 372750333 /nfs/dbraw/zinc/75/03/33/372750333.db2.gz YQGYCFUHARQFJD-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000037998791 372755535 /nfs/dbraw/zinc/75/55/35/372755535.db2.gz LLWOPUVBUKGDOT-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000042123119 372874737 /nfs/dbraw/zinc/87/47/37/372874737.db2.gz AGCPKQOFYYSGQP-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO CC(C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049442740 373297756 /nfs/dbraw/zinc/29/77/56/373297756.db2.gz ZFAXHQLTHDKGEL-UHFFFAOYSA-N 1 0 279.340 2.511 20 5 CFBDRO CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000049480640 373303486 /nfs/dbraw/zinc/30/34/86/373303486.db2.gz HEBADEYZNJCZLF-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000049558747 373309962 /nfs/dbraw/zinc/30/99/62/373309962.db2.gz ZJBTYRJUYDGZCX-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)C2CCCCC2)c1 ZINC000049854711 373323765 /nfs/dbraw/zinc/32/37/65/373323765.db2.gz OXNVNQXOCYUDMI-UHFFFAOYSA-N 1 0 278.352 2.722 20 5 CFBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926143 373459525 /nfs/dbraw/zinc/45/95/25/373459525.db2.gz HUKJRJIHKAHPAK-LLVKDONJSA-N 1 0 266.341 2.888 20 5 CFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000053184886 373467759 /nfs/dbraw/zinc/46/77/59/373467759.db2.gz MHUVCNHNXQROLJ-LLVKDONJSA-N 1 0 291.351 2.572 20 5 CFBDRO CC(C)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000053363826 373475749 /nfs/dbraw/zinc/47/57/49/373475749.db2.gz YHQDMKOCRVPOCT-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000062351302 373759230 /nfs/dbraw/zinc/75/92/30/373759230.db2.gz YCGXHEFKXBYDDT-OAHLLOKOSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000062999799 373779162 /nfs/dbraw/zinc/77/91/62/373779162.db2.gz HZAIHDPPNZLUKH-BLLLJJGKSA-N 1 0 286.331 2.979 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000065208774 373848623 /nfs/dbraw/zinc/84/86/23/373848623.db2.gz SZFUNKPIOBKMEM-UHFFFAOYSA-N 1 0 276.292 2.699 20 5 CFBDRO CC(C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000065961438 373906440 /nfs/dbraw/zinc/90/64/40/373906440.db2.gz CFKRKJJCUJWUHX-UHFFFAOYSA-N 1 0 290.323 2.733 20 5 CFBDRO CC(C)[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069081738 374045751 /nfs/dbraw/zinc/04/57/51/374045751.db2.gz ZNVGFOQFLKLKNM-UHFFFAOYSA-N 1 0 291.395 2.553 20 5 CFBDRO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070149748 374130646 /nfs/dbraw/zinc/13/06/46/374130646.db2.gz WTLIZAWPWSJIAL-ZDUSSCGKSA-N 1 0 297.786 2.952 20 5 CFBDRO Cc1ccnc(NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000070495796 374188050 /nfs/dbraw/zinc/18/80/50/374188050.db2.gz RXEJUTQZIZTYDO-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976518 374310642 /nfs/dbraw/zinc/31/06/42/374310642.db2.gz YXLLRNMKMYKQGA-AWEZNQCLSA-N 1 0 278.352 2.843 20 5 CFBDRO CCOc1cc(CSCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000492065014 246173470 /nfs/dbraw/zinc/17/34/70/246173470.db2.gz RUZIIEBNMMVADY-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO CC1(C)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000076015268 374521822 /nfs/dbraw/zinc/52/18/22/374521822.db2.gz DEOYSSUMYVHYRF-UHFFFAOYSA-N 1 0 292.335 2.693 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000080306626 374650435 /nfs/dbraw/zinc/65/04/35/374650435.db2.gz CUBBCGRUAANJDO-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000080306622 374651422 /nfs/dbraw/zinc/65/14/22/374651422.db2.gz CUBBCGRUAANJDO-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000081275228 374690928 /nfs/dbraw/zinc/69/09/28/374690928.db2.gz JOGBLRDVZOBNJG-LBPRGKRZSA-N 1 0 292.383 2.832 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571536298 383703826 /nfs/dbraw/zinc/70/38/26/383703826.db2.gz CMAOIDZVIBURGA-SWLSCSKDSA-N 1 0 291.395 2.902 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000089980204 374979566 /nfs/dbraw/zinc/97/95/66/374979566.db2.gz OYJXTNZAZYBRAX-UHFFFAOYSA-N 1 0 282.365 2.542 20 5 CFBDRO CCn1cncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090172320 374996172 /nfs/dbraw/zinc/99/61/72/374996172.db2.gz HIEFQMWDZJLVKQ-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO CC(C)n1cncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000090208741 375004171 /nfs/dbraw/zinc/00/41/71/375004171.db2.gz ZASFIFPOAVZFGA-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000090529885 375019225 /nfs/dbraw/zinc/01/92/25/375019225.db2.gz RNJKZTJRXFOWBK-CMPLNLGQSA-N 1 0 288.351 2.908 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)c1 ZINC000090783316 375028458 /nfs/dbraw/zinc/02/84/58/375028458.db2.gz IXAXGIBZGXXBAO-UHFFFAOYSA-N 1 0 281.356 2.603 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957356 375073402 /nfs/dbraw/zinc/07/34/02/375073402.db2.gz WWAYETPSKNTSPB-AEGPPILISA-N 1 0 289.379 2.872 20 5 CFBDRO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649576 375135892 /nfs/dbraw/zinc/13/58/92/375135892.db2.gz WECLSMQUWFRLQQ-NSHDSACASA-N 1 0 263.341 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000094371916 375358883 /nfs/dbraw/zinc/35/88/83/375358883.db2.gz RBRLTDVBOVIQKB-CYBMUJFWSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094371419 375359202 /nfs/dbraw/zinc/35/92/02/375359202.db2.gz SSVBGLDIKMBBEK-ZDUSSCGKSA-N 1 0 276.336 2.786 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659366 375371239 /nfs/dbraw/zinc/37/12/39/375371239.db2.gz WMPMZQIVKNWVFF-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000097435934 375557711 /nfs/dbraw/zinc/55/77/11/375557711.db2.gz HTNHFEUXJKECSX-CMPLNLGQSA-N 1 0 266.341 2.572 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098215 375767032 /nfs/dbraw/zinc/76/70/32/375767032.db2.gz ZMCVCYUBEFTMMX-ZIAGYGMSSA-N 1 0 291.395 2.929 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829857 375810560 /nfs/dbraw/zinc/81/05/60/375810560.db2.gz FLWWBQAAIPFXNP-NWDGAFQWSA-N 1 0 279.315 2.773 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000112613246 375937129 /nfs/dbraw/zinc/93/71/29/375937129.db2.gz OMJYDHIHZBDLMS-UHFFFAOYSA-N 1 0 280.368 2.888 20 5 CFBDRO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262096983 190048411 /nfs/dbraw/zinc/04/84/11/190048411.db2.gz BXLMAWQTBJEPCD-NHYWBVRUSA-N 1 0 293.367 2.598 20 5 CFBDRO C[C@H]1SCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000118415045 376295319 /nfs/dbraw/zinc/29/53/19/376295319.db2.gz ZFJYEYQUCAIFGO-NWDGAFQWSA-N 1 0 296.392 2.799 20 5 CFBDRO CCCC[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000119781040 376470763 /nfs/dbraw/zinc/47/07/63/376470763.db2.gz IBHGQCBDLZQNQK-UHFFFAOYSA-N 1 0 299.346 2.886 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120069118 376541335 /nfs/dbraw/zinc/54/13/35/376541335.db2.gz BVKCVDKOJVMTCG-KFWWJZLASA-N 1 0 290.363 2.840 20 5 CFBDRO C[NH+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000120372366 376604329 /nfs/dbraw/zinc/60/43/29/376604329.db2.gz ITVZAXRYLZMVAT-UHFFFAOYSA-N 1 0 278.139 2.875 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCSC1 ZINC000121071194 376756758 /nfs/dbraw/zinc/75/67/58/376756758.db2.gz WLOBTUFCVSHRDN-ZDUSSCGKSA-N 1 0 296.392 2.931 20 5 CFBDRO CC[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000125052980 377113213 /nfs/dbraw/zinc/11/32/13/377113213.db2.gz OOOZVZAAPAPNHI-LLVKDONJSA-N 1 0 275.308 2.634 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000264891318 190142172 /nfs/dbraw/zinc/14/21/72/190142172.db2.gz XEMSYKNQOLJCBC-HNNXBMFYSA-N 1 0 296.367 2.634 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624560 377453562 /nfs/dbraw/zinc/45/35/62/377453562.db2.gz KXPXDURCCWXKFL-DYEKYZERSA-N 1 0 289.379 2.871 20 5 CFBDRO C[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000129785874 377471514 /nfs/dbraw/zinc/47/15/14/377471514.db2.gz XKZGVVXSGLHEFI-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000265104981 190158427 /nfs/dbraw/zinc/15/84/27/190158427.db2.gz AKVRAIRIQMHWQG-AWEZNQCLSA-N 1 0 292.360 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265492842 190186534 /nfs/dbraw/zinc/18/65/34/190186534.db2.gz NKAKNTKRDVDQHH-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000265417189 190180453 /nfs/dbraw/zinc/18/04/53/190180453.db2.gz DUUNGFTUUAYBBU-CYBMUJFWSA-N 1 0 279.340 2.654 20 5 CFBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C ZINC000134454902 378016641 /nfs/dbraw/zinc/01/66/41/378016641.db2.gz JEYWFNBRNMCTKS-UHFFFAOYSA-N 1 0 282.388 2.795 20 5 CFBDRO CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000135129969 378087688 /nfs/dbraw/zinc/08/76/88/378087688.db2.gz DGFQVPTXZHBAGT-CQSZACIVSA-N 1 0 293.367 2.504 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148482511 378258194 /nfs/dbraw/zinc/25/81/94/378258194.db2.gz TWJWDWFRUYXJNP-SNVBAGLBSA-N 1 0 284.747 2.539 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152836633 378451089 /nfs/dbraw/zinc/45/10/89/378451089.db2.gz VSZKRRBMRDPCNR-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331079947 378628565 /nfs/dbraw/zinc/62/85/65/378628565.db2.gz WZRYVXSUYVJHNX-NWDGAFQWSA-N 1 0 280.372 2.729 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000159456347 378710788 /nfs/dbraw/zinc/71/07/88/378710788.db2.gz XMLKUEXZBUIOMF-RISCZKNCSA-N 1 0 298.770 2.841 20 5 CFBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332647540 378782036 /nfs/dbraw/zinc/78/20/36/378782036.db2.gz CAXCBJOOXNRMCT-GFCCVEGCSA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266261325 190243930 /nfs/dbraw/zinc/24/39/30/190243930.db2.gz PCPFWWUZZPQGQW-PWSUYJOCSA-N 1 0 281.331 2.653 20 5 CFBDRO Cc1nc(N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000161520677 378853300 /nfs/dbraw/zinc/85/33/00/378853300.db2.gz JDKNLAOYXRCRFO-NSHDSACASA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000163421193 378971947 /nfs/dbraw/zinc/97/19/47/378971947.db2.gz VZMCBKBKUINABW-JOOBJXAISA-N 1 0 298.408 2.711 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000278693335 194106377 /nfs/dbraw/zinc/10/63/77/194106377.db2.gz JHLQRSZQTIBDRD-DOMZBBRYSA-N 1 0 294.351 2.789 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000278685390 194101675 /nfs/dbraw/zinc/10/16/75/194101675.db2.gz UPXZWUFWNOELME-SLEUVZQESA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000168944023 379101349 /nfs/dbraw/zinc/10/13/49/379101349.db2.gz GMQHVUKANWWORA-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000266745331 190278217 /nfs/dbraw/zinc/27/82/17/190278217.db2.gz ARHOOAALNUHQEE-CORIIIEPSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000172171263 379509771 /nfs/dbraw/zinc/50/97/71/379509771.db2.gz MSXNKFXNRKZNHR-UHFFFAOYSA-N 1 0 293.367 2.536 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172963499 379676646 /nfs/dbraw/zinc/67/66/46/379676646.db2.gz VAEHSWRFATWZEK-AOOOYVTPSA-N 1 0 252.339 2.744 20 5 CFBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000173614777 379757690 /nfs/dbraw/zinc/75/76/90/379757690.db2.gz OGVIWDRCTOLQLH-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878466 379955942 /nfs/dbraw/zinc/95/59/42/379955942.db2.gz JRXKHZVGCSLYDF-TZMCWYRMSA-N 1 0 280.372 2.692 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](OC)C1 ZINC000175171010 380011653 /nfs/dbraw/zinc/01/16/53/380011653.db2.gz VJQATPDZXBOYFZ-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000432368935 383741940 /nfs/dbraw/zinc/74/19/40/383741940.db2.gz OUYUWCPOPQVKLL-LJXYTEIVSA-N 1 0 276.336 2.623 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CC(O)C1 ZINC000432361910 383742144 /nfs/dbraw/zinc/74/21/44/383742144.db2.gz FQAOVVPBQIZEGQ-KPKJPENVSA-N 1 0 290.363 2.749 20 5 CFBDRO C[N@H+](CCCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000175740856 380124094 /nfs/dbraw/zinc/12/40/94/380124094.db2.gz MAWPNKQYFWRLOE-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO Cc1nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268524935 190409149 /nfs/dbraw/zinc/40/91/49/190409149.db2.gz VVGOXPPIYDTPMA-VXGBXAGGSA-N 1 0 278.356 2.583 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177866789 380387321 /nfs/dbraw/zinc/38/73/21/380387321.db2.gz FFNRGVHFFYJUJV-NWDGAFQWSA-N 1 0 294.351 2.713 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCOC1 ZINC000268876844 190445987 /nfs/dbraw/zinc/44/59/87/190445987.db2.gz JECMDSRCHJNWBX-NFAWXSAZSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336788000 380634212 /nfs/dbraw/zinc/63/42/12/380634212.db2.gz GEHNSNABMJZSNQ-VIFPVBQESA-N 1 0 252.289 2.964 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268962041 190456111 /nfs/dbraw/zinc/45/61/11/190456111.db2.gz XYADPIODIPXDSH-HOCLYGCPSA-N 1 0 292.379 2.522 20 5 CFBDRO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000336813946 380675203 /nfs/dbraw/zinc/67/52/03/380675203.db2.gz VXVHELCZLLSGSB-SECBINFHSA-N 1 0 267.304 2.629 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000287432276 380829781 /nfs/dbraw/zinc/82/97/81/380829781.db2.gz QRQLQRKGEVVZOT-JTQLQIEISA-N 1 0 283.759 2.636 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347029465 380888779 /nfs/dbraw/zinc/88/87/79/380888779.db2.gz WJOMJYXVDRBDCH-GMXVVIOVSA-N 1 0 292.335 2.539 20 5 CFBDRO C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000347041549 380898701 /nfs/dbraw/zinc/89/87/01/380898701.db2.gz LCSSXNOJUQSBMM-CUGVZAEZSA-N 1 0 289.379 2.667 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000341287191 380903610 /nfs/dbraw/zinc/90/36/10/380903610.db2.gz ZEHMYSYTJWDTCK-GXTWGEPZSA-N 1 0 294.351 2.508 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000279293941 194372708 /nfs/dbraw/zinc/37/27/08/194372708.db2.gz LIFAYCFQNGNLPD-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000368570755 381068468 /nfs/dbraw/zinc/06/84/68/381068468.db2.gz ZFLNAJPHVZEJQX-SNVBAGLBSA-N 1 0 297.305 2.548 20 5 CFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411952715 381071120 /nfs/dbraw/zinc/07/11/20/381071120.db2.gz RIRVJIBUFBZOBU-NHYWBVRUSA-N 1 0 278.352 2.888 20 5 CFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411958158 381072769 /nfs/dbraw/zinc/07/27/69/381072769.db2.gz WRVDKIFGNIOSFW-ABAIWWIYSA-N 1 0 278.352 2.888 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccoc2C)cc1[N+](=O)[O-] ZINC000358724763 381036103 /nfs/dbraw/zinc/03/61/03/381036103.db2.gz VSUILBBGDQTDSB-UHFFFAOYSA-N 1 0 276.292 2.795 20 5 CFBDRO CC[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347352699 381091758 /nfs/dbraw/zinc/09/17/58/381091758.db2.gz GIOXDAOCUBYIQH-KAMYIIQDSA-N 1 0 289.379 2.636 20 5 CFBDRO Cc1cc(NC2CC[NH+](C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000295953072 381177711 /nfs/dbraw/zinc/17/77/11/381177711.db2.gz ITFAYIGDQXYBQC-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000183311685 381251430 /nfs/dbraw/zinc/25/14/30/381251430.db2.gz DBUNAEXWHKCNQN-INIZCTEOSA-N 1 0 289.379 2.573 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCCCO)C1CC1 ZINC000183344231 381257045 /nfs/dbraw/zinc/25/70/45/381257045.db2.gz KAIWDDLKHQJEEM-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000369464657 381267257 /nfs/dbraw/zinc/26/72/57/381267257.db2.gz FXWQRJPDYQTJPT-HUUCEWRRSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000342227183 381224572 /nfs/dbraw/zinc/22/45/72/381224572.db2.gz YDGDWOCBEAORMA-FWCMMDKOSA-N 1 0 268.263 2.851 20 5 CFBDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296057686 381235697 /nfs/dbraw/zinc/23/56/97/381235697.db2.gz PDRSLVBOYAGONH-NSHDSACASA-N 1 0 259.309 2.784 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCOC1 ZINC000342284742 381246162 /nfs/dbraw/zinc/24/61/62/381246162.db2.gz FRMWJUVCYQWSON-UNJUUPHPSA-N 1 0 276.336 2.767 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000359132825 381283930 /nfs/dbraw/zinc/28/39/30/381283930.db2.gz NWMZWNZXBVPDOK-QMMMGPOBSA-N 1 0 292.257 2.891 20 5 CFBDRO CC(C)SCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000290165924 381325721 /nfs/dbraw/zinc/32/57/21/381325721.db2.gz QLPHIEJZFPZXAZ-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3OCC[C@H]3C2)ccc1Cl ZINC000369675049 381310085 /nfs/dbraw/zinc/31/00/85/381310085.db2.gz CGURDAUWCAGVOA-SMDDNHRTSA-N 1 0 296.754 2.859 20 5 CFBDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296240735 381315693 /nfs/dbraw/zinc/31/56/93/381315693.db2.gz ATOOXGYZGHETRG-PWSUYJOCSA-N 1 0 281.356 2.643 20 5 CFBDRO CC[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000290140658 381316385 /nfs/dbraw/zinc/31/63/85/381316385.db2.gz KPKHUQZSWHXROI-HIFRSBDPSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1ccc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000347793736 381352130 /nfs/dbraw/zinc/35/21/30/381352130.db2.gz YBMFCCCHNZYVAG-UHFFFAOYSA-N 1 0 297.358 2.899 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296454842 381403402 /nfs/dbraw/zinc/40/34/02/381403402.db2.gz MYEFSYAKZXBIIK-FIXISWKDSA-N 1 0 295.383 2.889 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](O)CC1 ZINC000354744990 381432988 /nfs/dbraw/zinc/43/29/88/381432988.db2.gz IVVDUSHQMJCNGF-ISBHARSQSA-N 1 0 290.363 2.845 20 5 CFBDRO COc1cccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501073 381454073 /nfs/dbraw/zinc/45/40/73/381454073.db2.gz AROJGQSYQATHPX-QWRGUYRKSA-N 1 0 291.351 2.641 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663381 381484561 /nfs/dbraw/zinc/48/45/61/381484561.db2.gz UNCOYSRZYDWVBX-GXFFZTMASA-N 1 0 286.335 2.526 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000290677364 381520628 /nfs/dbraw/zinc/52/06/28/381520628.db2.gz KZTKWMRWYRUBJF-SECBINFHSA-N 1 0 286.763 2.784 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000370705969 381493716 /nfs/dbraw/zinc/49/37/16/381493716.db2.gz KNXULGWLOQUHIC-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO COC[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296658842 381495129 /nfs/dbraw/zinc/49/51/29/381495129.db2.gz JTBLHTQHUFKYLQ-HNNXBMFYSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@H](O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185217200 381566795 /nfs/dbraw/zinc/56/67/95/381566795.db2.gz PQIMUYCLEGAAKU-NSHDSACASA-N 1 0 290.319 2.667 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348542117 381618841 /nfs/dbraw/zinc/61/88/41/381618841.db2.gz ATMCFGHRSHUKHH-NKRQLWMJSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290984639 381619698 /nfs/dbraw/zinc/61/96/98/381619698.db2.gz YYRYHKNPKQUVIP-SSDOTTSWSA-N 1 0 293.150 2.620 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(C)C)C(C)(C)O ZINC000359809897 381621666 /nfs/dbraw/zinc/62/16/66/381621666.db2.gz UDZKIQVTGLQSAP-CQSZACIVSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000185399803 381622628 /nfs/dbraw/zinc/62/26/28/381622628.db2.gz JBQNLZOKMJVHNP-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414943096 381633707 /nfs/dbraw/zinc/63/37/07/381633707.db2.gz CNIOCAWPNDMDAX-KRWDZBQOSA-N 1 0 297.358 2.571 20 5 CFBDRO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000291060766 381651119 /nfs/dbraw/zinc/65/11/19/381651119.db2.gz PGXADBPGNZJXLF-UHFFFAOYSA-N 1 0 296.277 2.556 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000371736856 381689249 /nfs/dbraw/zinc/68/92/49/381689249.db2.gz QCOYIFCJLRNWTA-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415000072 381691264 /nfs/dbraw/zinc/69/12/64/381691264.db2.gz ACDQZDXWNBRTLW-QWRGUYRKSA-N 1 0 289.335 2.680 20 5 CFBDRO CC(C)c1ccc(CN[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415005807 381699272 /nfs/dbraw/zinc/69/92/72/381699272.db2.gz JUSORARVNPLXOH-GHMZBOCLSA-N 1 0 265.357 2.544 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000343477873 381741540 /nfs/dbraw/zinc/74/15/40/381741540.db2.gz PAXVWUYMROTXAX-VXGBXAGGSA-N 1 0 278.356 2.501 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185826732 381747813 /nfs/dbraw/zinc/74/78/13/381747813.db2.gz QGYSAROHUZHQIX-KXMPLOMGSA-N 1 0 284.743 2.665 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415030848 381721198 /nfs/dbraw/zinc/72/11/98/381721198.db2.gz CVXDFCWNRIHFIU-OAHLLOKOSA-N 1 0 291.395 2.948 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372330095 381791472 /nfs/dbraw/zinc/79/14/72/381791472.db2.gz DUIHHFGOQBKPFK-LBPRGKRZSA-N 1 0 276.336 2.835 20 5 CFBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000292540554 381806939 /nfs/dbraw/zinc/80/69/39/381806939.db2.gz IGWHJYVMXLMCKS-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000349293612 381877255 /nfs/dbraw/zinc/87/72/55/381877255.db2.gz FSIUKHBMGKAGEQ-LLVKDONJSA-N 1 0 266.341 2.531 20 5 CFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000292921438 381902959 /nfs/dbraw/zinc/90/29/59/381902959.db2.gz GGALENMARAKEIQ-QMTHXVAHSA-N 1 0 298.770 2.889 20 5 CFBDRO CCC[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299384423 381919726 /nfs/dbraw/zinc/91/97/26/381919726.db2.gz PFCNLODTRKBSBM-UHFFFAOYSA-N 1 0 280.324 2.693 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186496835 381928897 /nfs/dbraw/zinc/92/88/97/381928897.db2.gz TXMRDOQMDVPFLE-MXKYZYEVSA-N 1 0 292.379 2.833 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000186791375 382014784 /nfs/dbraw/zinc/01/47/84/382014784.db2.gz TVFSXQDSCMTPCV-JGGQBBKZSA-N 1 0 292.379 2.809 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293106696 381992808 /nfs/dbraw/zinc/99/28/08/381992808.db2.gz LLXZVYSDVAWBEH-RISCZKNCSA-N 1 0 264.325 2.503 20 5 CFBDRO CC(C)CC1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000343992821 382054358 /nfs/dbraw/zinc/05/43/58/382054358.db2.gz NXOYEIBHUNSQOM-UHFFFAOYSA-N 1 0 294.399 2.940 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000301186419 382102278 /nfs/dbraw/zinc/10/22/78/382102278.db2.gz KFUHYEAAYUHZFG-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000301256888 382124909 /nfs/dbraw/zinc/12/49/09/382124909.db2.gz NUUDANYPHFGASW-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000301258715 382126819 /nfs/dbraw/zinc/12/68/19/382126819.db2.gz FJZSGQKDCYGXOR-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1ccnc(NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000301260607 382127097 /nfs/dbraw/zinc/12/70/97/382127097.db2.gz FJNAFCBDGGGLQP-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000301269278 382130778 /nfs/dbraw/zinc/13/07/78/382130778.db2.gz NCMIHBHKJMBTOI-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344217498 382206114 /nfs/dbraw/zinc/20/61/14/382206114.db2.gz VXHPAINNXMYONK-ZDUSSCGKSA-N 1 0 286.759 2.889 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187544886 382207884 /nfs/dbraw/zinc/20/78/84/382207884.db2.gz MUNJYCWFEUOQQP-HNNXBMFYSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000187575160 382216369 /nfs/dbraw/zinc/21/63/69/382216369.db2.gz MBKITTQLTCFKOD-MRXNPFEDSA-N 1 0 292.379 2.888 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000357561344 382227187 /nfs/dbraw/zinc/22/71/87/382227187.db2.gz CFTLPRYEIXIUQN-GFCCVEGCSA-N 1 0 280.372 2.747 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCOC1 ZINC000344264652 382238290 /nfs/dbraw/zinc/23/82/90/382238290.db2.gz JOEGMODOJKNRFJ-LBPRGKRZSA-N 1 0 294.351 2.510 20 5 CFBDRO Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726921 382189504 /nfs/dbraw/zinc/18/95/04/382189504.db2.gz VMOSMAJLTHTQBS-KGLIPLIRSA-N 1 0 289.379 2.824 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344284249 382250486 /nfs/dbraw/zinc/25/04/86/382250486.db2.gz CFCBNDSUBRQHLA-GJZGRUSLSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000302475913 382255007 /nfs/dbraw/zinc/25/50/07/382255007.db2.gz FDGWVOZZQFXLSJ-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420290285 382344148 /nfs/dbraw/zinc/34/41/48/382344148.db2.gz LTIODRIFJPECIV-SLEUVZQESA-N 1 0 277.368 2.633 20 5 CFBDRO CCCCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364326134 382307305 /nfs/dbraw/zinc/30/73/05/382307305.db2.gz FNTLJSSMHFMVOI-LBPRGKRZSA-N 1 0 266.345 2.618 20 5 CFBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352404766 382310064 /nfs/dbraw/zinc/31/00/64/382310064.db2.gz JLRBRLMCGYOTKS-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000357773730 382313404 /nfs/dbraw/zinc/31/34/04/382313404.db2.gz IAXYKGGEDMONIY-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO CCOc1cccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420293864 382345325 /nfs/dbraw/zinc/34/53/25/382345325.db2.gz YHQKTGLRVSQPJW-NEPJUHHUSA-N 1 0 293.367 2.923 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)C(C)C)c1 ZINC000302832057 382331099 /nfs/dbraw/zinc/33/10/99/382331099.db2.gz RCKHBFLOYDVUCT-UHFFFAOYSA-N 1 0 265.357 2.680 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncc([N+](=O)[O-])cc1Cl ZINC000420282838 382339564 /nfs/dbraw/zinc/33/95/64/382339564.db2.gz NJFVJKUSCWVAKY-AYBYRNOTSA-N 1 0 296.758 2.571 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000420288845 382341288 /nfs/dbraw/zinc/34/12/88/382341288.db2.gz SKLVKPOXMXUPCN-ONGXEEELSA-N 1 0 267.304 2.663 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925646 382299910 /nfs/dbraw/zinc/29/99/10/382299910.db2.gz PFXLTWWJRRRVBL-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000303975327 382366062 /nfs/dbraw/zinc/36/60/62/382366062.db2.gz BHEOKOMTUVKPEW-UHFFFAOYSA-N 1 0 286.397 2.887 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000304075971 382374703 /nfs/dbraw/zinc/37/47/03/382374703.db2.gz XACUPUCCLFYJJW-WFASDCNBSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000304075967 382374970 /nfs/dbraw/zinc/37/49/70/382374970.db2.gz XACUPUCCLFYJJW-DOMZBBRYSA-N 1 0 280.368 2.790 20 5 CFBDRO CO[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000188294340 382386084 /nfs/dbraw/zinc/38/60/84/382386084.db2.gz JJEQBNOEEFYVQL-CVYKPKQLSA-N 1 0 290.363 2.965 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188117234 382348322 /nfs/dbraw/zinc/34/83/22/382348322.db2.gz GJUWYQFRFIYJQL-GXSJLCMTSA-N 1 0 252.314 2.589 20 5 CFBDRO CC(C)c1ccc(C[N@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000305729814 382443597 /nfs/dbraw/zinc/44/35/97/382443597.db2.gz KPSCDSBOCVPXJP-UHFFFAOYSA-N 1 0 278.352 2.675 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000378131548 382404332 /nfs/dbraw/zinc/40/43/32/382404332.db2.gz PNMNOPDMGXJCLV-INIZCTEOSA-N 1 0 292.379 2.744 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304437920 382409445 /nfs/dbraw/zinc/40/94/45/382409445.db2.gz FHMVDDLNZXCWLQ-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000352709074 382454044 /nfs/dbraw/zinc/45/40/44/382454044.db2.gz ZDGHIVQBULGKDG-CYBMUJFWSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCOCC(F)F)cccc1[N+](=O)[O-] ZINC000188751009 382469887 /nfs/dbraw/zinc/46/98/87/382469887.db2.gz CRBXMMPOJAVIAP-SNVBAGLBSA-N 1 0 288.294 2.836 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000188863514 382493878 /nfs/dbraw/zinc/49/38/78/382493878.db2.gz PYHJEASJDQZXRW-LLVKDONJSA-N 1 0 272.370 2.807 20 5 CFBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358187552 382494963 /nfs/dbraw/zinc/49/49/63/382494963.db2.gz KAIPFEOORJLDJB-QWHCGFSZSA-N 1 0 296.367 2.605 20 5 CFBDRO CC(C)[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161002 382503988 /nfs/dbraw/zinc/50/39/88/382503988.db2.gz ASLJMOODGGYWHR-BIENSFFJSA-N 1 0 290.363 2.965 20 5 CFBDRO CC[C@H]([NH2+][C@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358297991 382555621 /nfs/dbraw/zinc/55/56/21/382555621.db2.gz LWLNVRUYFJVRLK-JSGCOSHPSA-N 1 0 298.408 2.750 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)O1 ZINC000384675288 382556641 /nfs/dbraw/zinc/55/66/41/382556641.db2.gz YXWLKNBREQYCIW-VYUIOLGVSA-N 1 0 284.743 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CF)CC2)c1 ZINC000295092512 382574540 /nfs/dbraw/zinc/57/45/40/382574540.db2.gz RUFZDGAEERSTQI-UHFFFAOYSA-N 1 0 252.289 2.776 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000382409267 382530488 /nfs/dbraw/zinc/53/04/88/382530488.db2.gz ZOXOXKYQPXBDKH-JTQLQIEISA-N 1 0 269.320 2.875 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000358368677 382591550 /nfs/dbraw/zinc/59/15/50/382591550.db2.gz OVALAPFBMFTKFB-CQSZACIVSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000388249253 382604409 /nfs/dbraw/zinc/60/44/09/382604409.db2.gz SNQLYQPQPAXBRT-KOLCDFICSA-N 1 0 252.289 2.870 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000397637620 382633780 /nfs/dbraw/zinc/63/37/80/382633780.db2.gz WREDTAJTNDBZSW-RISCZKNCSA-N 1 0 278.352 2.998 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189637204 382631631 /nfs/dbraw/zinc/63/16/31/382631631.db2.gz XELALIBDQABPLI-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189932682 382645911 /nfs/dbraw/zinc/64/59/11/382645911.db2.gz OBAXCSYXOJBEIY-HZMBPMFUSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H]1CSCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000190436559 382668009 /nfs/dbraw/zinc/66/80/09/382668009.db2.gz YMUSZWWFUFTNTA-GFCCVEGCSA-N 1 0 296.392 2.659 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)OCCCO2)cc1[N+](=O)[O-] ZINC000190665082 382676971 /nfs/dbraw/zinc/67/69/71/382676971.db2.gz HIVKGKBSTNSWKG-GFCCVEGCSA-N 1 0 294.351 2.707 20 5 CFBDRO CC(C)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336850233 382735191 /nfs/dbraw/zinc/73/51/91/382735191.db2.gz WOZNMFNFBPJYGD-UHFFFAOYSA-N 1 0 297.374 2.754 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191701966 382702025 /nfs/dbraw/zinc/70/20/25/382702025.db2.gz YDTMLKWXRKLSNV-AXFHLTTASA-N 1 0 252.314 2.669 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192169913 382705172 /nfs/dbraw/zinc/70/51/72/382705172.db2.gz XQJWXHLAFYTGIR-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192192501 382705443 /nfs/dbraw/zinc/70/54/43/382705443.db2.gz ZEYPPZYNOUSDCS-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192190094 382705447 /nfs/dbraw/zinc/70/54/47/382705447.db2.gz DYQWJRZAQLRBBJ-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO CC(C)C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000193381568 382719405 /nfs/dbraw/zinc/71/94/05/382719405.db2.gz NOGOHXRZTRHVPZ-GFCCVEGCSA-N 1 0 280.372 2.565 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000193589706 382721269 /nfs/dbraw/zinc/72/12/69/382721269.db2.gz VWFZZZIZAUPZQX-UHFFFAOYSA-N 1 0 279.296 2.879 20 5 CFBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000336845363 382733069 /nfs/dbraw/zinc/73/30/69/382733069.db2.gz AIUWLNYKJJTXLX-CQSZACIVSA-N 1 0 288.351 2.606 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000219919386 382795135 /nfs/dbraw/zinc/79/51/35/382795135.db2.gz WIFBGZJWWRZPFV-CABZTGNLSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCCO ZINC000194215931 382737835 /nfs/dbraw/zinc/73/78/35/382737835.db2.gz QZALWNDKMTVEDB-DZGCQCFKSA-N 1 0 292.379 2.668 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219239501 382792819 /nfs/dbraw/zinc/79/28/19/382792819.db2.gz BWJOAKZKLRFCBE-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000221255172 382798405 /nfs/dbraw/zinc/79/84/05/382798405.db2.gz MNBRUBJQSHPQTO-JTQLQIEISA-N 1 0 269.732 2.754 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000575805912 382799721 /nfs/dbraw/zinc/79/97/21/382799721.db2.gz PMXKCBBTXURTHV-ZBFHGGJFSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000222544386 382802204 /nfs/dbraw/zinc/80/22/04/382802204.db2.gz DUKOUDIVKLJCED-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000337335928 382804741 /nfs/dbraw/zinc/80/47/41/382804741.db2.gz MHXCWXQGEAAKPN-CYBMUJFWSA-N 1 0 277.368 2.511 20 5 CFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223884083 382807774 /nfs/dbraw/zinc/80/77/74/382807774.db2.gz RGBMEIGXLYQNRA-MISXGVKJSA-N 1 0 298.408 2.666 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000576039961 382808077 /nfs/dbraw/zinc/80/80/77/382808077.db2.gz UUMBXZLZYDVNKV-DLOVCJGASA-N 1 0 264.325 2.731 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000224385408 382810722 /nfs/dbraw/zinc/81/07/22/382810722.db2.gz UFRJORRPWJVMCM-WDEREUQCSA-N 1 0 266.366 2.999 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887479 382842173 /nfs/dbraw/zinc/84/21/73/382842173.db2.gz QOJCNTGQNHMIMG-VIFPVBQESA-N 1 0 285.294 2.769 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228147496 382845126 /nfs/dbraw/zinc/84/51/26/382845126.db2.gz NKPSWBHZLNIQLP-SMDDNHRTSA-N 1 0 278.352 2.639 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000577301156 382854887 /nfs/dbraw/zinc/85/48/87/382854887.db2.gz UVHCCZSDSBPXAI-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO CC(C)(CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230144256 382856396 /nfs/dbraw/zinc/85/63/96/382856396.db2.gz RRISHWWCEGXLQS-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000230223993 382858019 /nfs/dbraw/zinc/85/80/19/382858019.db2.gz IQDWXYFDFMTLPS-LLVKDONJSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000230379328 382860990 /nfs/dbraw/zinc/86/09/90/382860990.db2.gz RHOTWODDKWZRGI-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)CC2CCCC2)c1 ZINC000337802807 382866663 /nfs/dbraw/zinc/86/66/63/382866663.db2.gz JFZJPYRONJNKHW-CQSZACIVSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000235198939 382878106 /nfs/dbraw/zinc/87/81/06/382878106.db2.gz VERRGOYGHRQSFV-SNVBAGLBSA-N 1 0 282.315 2.639 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578174781 382896280 /nfs/dbraw/zinc/89/62/80/382896280.db2.gz LKIDHEXLHJUFCU-RYUDHWBXSA-N 1 0 288.351 2.995 20 5 CFBDRO CC(C)CC[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000578980117 382971407 /nfs/dbraw/zinc/97/14/07/382971407.db2.gz VKEHUVZJAORUBW-HNNXBMFYSA-N 1 0 280.368 2.524 20 5 CFBDRO COC1(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000549920938 383016576 /nfs/dbraw/zinc/01/65/76/383016576.db2.gz ATYWWUBRXMCVNU-UHFFFAOYSA-N 1 0 290.363 2.912 20 5 CFBDRO CC(C)CC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344305 382996225 /nfs/dbraw/zinc/99/62/25/382996225.db2.gz AFGGNEYDGJJVAI-MRXNPFEDSA-N 1 0 294.395 2.866 20 5 CFBDRO Cc1oncc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338346468 382998146 /nfs/dbraw/zinc/99/81/46/382998146.db2.gz KTIIFATYSPBIKT-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO CC[C@]1(O)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192418 382969106 /nfs/dbraw/zinc/96/91/06/382969106.db2.gz LCFNASPQJQZEJF-WFASDCNBSA-N 1 0 278.352 2.811 20 5 CFBDRO CC[C@@]1(O)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198283 382970617 /nfs/dbraw/zinc/97/06/17/382970617.db2.gz ALQMEQRHCGHJSB-BXUZGUMPSA-N 1 0 264.325 2.503 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000237791848 382971265 /nfs/dbraw/zinc/97/12/65/382971265.db2.gz DBRBYNDKONDDFE-CYBMUJFWSA-N 1 0 292.360 2.788 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000551045015 383034339 /nfs/dbraw/zinc/03/43/39/383034339.db2.gz DBBJGUKQUQXOGB-CYBMUJFWSA-N 1 0 291.395 2.990 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000590136007 383121155 /nfs/dbraw/zinc/12/11/55/383121155.db2.gz SYUSUYRQWJDSBP-LLVKDONJSA-N 1 0 281.381 2.578 20 5 CFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000339029497 383125133 /nfs/dbraw/zinc/12/51/33/383125133.db2.gz OGFDNDRGTRBJFK-ZDUSSCGKSA-N 1 0 292.383 2.914 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000554179269 383126570 /nfs/dbraw/zinc/12/65/70/383126570.db2.gz KXAAXKJGDGLYDX-VIFPVBQESA-N 1 0 274.324 2.701 20 5 CFBDRO COCC(C)(C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338955490 383100068 /nfs/dbraw/zinc/10/00/68/383100068.db2.gz OTDDKRKMEYZLRO-UHFFFAOYSA-N 1 0 280.368 2.742 20 5 CFBDRO CCC[C@@H](NC[C@@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469291 383107046 /nfs/dbraw/zinc/10/70/46/383107046.db2.gz OTWMWXDZKMWDBI-GXTWGEPZSA-N 1 0 265.357 2.763 20 5 CFBDRO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566806612 383213841 /nfs/dbraw/zinc/21/38/41/383213841.db2.gz TZSSXNLWILPHFT-RISCZKNCSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H]1C ZINC000566753664 383208108 /nfs/dbraw/zinc/20/81/08/383208108.db2.gz UCDAHPBGVCMTLS-WDMOLILDSA-N 1 0 291.351 2.700 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146982 383214553 /nfs/dbraw/zinc/21/45/53/383214553.db2.gz QIBUIMJEOOLHOI-UKRRQHHQSA-N 1 0 289.379 2.511 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000516663334 383167297 /nfs/dbraw/zinc/16/72/97/383167297.db2.gz LQGOGRBYKGPAFL-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000339503061 383219717 /nfs/dbraw/zinc/21/97/17/383219717.db2.gz ADHFQAPUQGQPKY-UHFFFAOYSA-N 1 0 298.346 2.595 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000519521756 383220091 /nfs/dbraw/zinc/22/00/91/383220091.db2.gz DMTVIGGYMOXKEN-NSHDSACASA-N 1 0 298.774 2.564 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449332808 383222282 /nfs/dbraw/zinc/22/22/82/383222282.db2.gz DXIDNOZFUZHZAD-AAEUAGOBSA-N 1 0 266.341 2.540 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000339519963 383229652 /nfs/dbraw/zinc/22/96/52/383229652.db2.gz WEXGHBYGLRDNAZ-HNNXBMFYSA-N 1 0 292.379 2.873 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cncnc3)C2)cc1 ZINC000449496280 383334785 /nfs/dbraw/zinc/33/47/85/383334785.db2.gz GMYKVYYDYVFFMF-HNNXBMFYSA-N 1 0 298.346 2.764 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000466819794 383345335 /nfs/dbraw/zinc/34/53/35/383345335.db2.gz RZOOOPFZWODAOC-SMDDNHRTSA-N 1 0 275.352 2.798 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000422942446 532977727 /nfs/dbraw/zinc/97/77/27/532977727.db2.gz KFLFBDYXDBXROB-CXAGYDPISA-N 1 0 299.374 2.643 20 5 CFBDRO CC(C)[NH2+]CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567889921 383326811 /nfs/dbraw/zinc/32/68/11/383326811.db2.gz KCPYFXJHJIZHQS-LBPRGKRZSA-N 1 0 265.357 2.634 20 5 CFBDRO C[N@H+]1CC=C(CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450428223 383405733 /nfs/dbraw/zinc/40/57/33/383405733.db2.gz VPXANMGYHVBOJH-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C(C)(C)C ZINC000568508319 383410359 /nfs/dbraw/zinc/41/03/59/383410359.db2.gz ZFQSBBNKEXDKTJ-UHFFFAOYSA-N 1 0 279.340 2.572 20 5 CFBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000425334761 383372472 /nfs/dbraw/zinc/37/24/72/383372472.db2.gz HEVYVLBTUIGUHO-WCQYABFASA-N 1 0 266.366 2.887 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000250989370 383383623 /nfs/dbraw/zinc/38/36/23/383383623.db2.gz XFYKKZPZUHGPLQ-OLZOCXBDSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000252731431 383430963 /nfs/dbraw/zinc/43/09/63/383430963.db2.gz PWXJNRUSYJTCIK-PVUDRZGPSA-N 1 0 298.408 2.711 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568768273 383436548 /nfs/dbraw/zinc/43/65/48/383436548.db2.gz MCWVXEHWWLNTDO-JJMVLAAESA-N 1 0 290.363 2.985 20 5 CFBDRO CCCN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000450522920 383446269 /nfs/dbraw/zinc/44/62/69/383446269.db2.gz BIQVCDJOJUWKCF-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569150900 383472605 /nfs/dbraw/zinc/47/26/05/383472605.db2.gz YJNDJJWIEPDONI-GHMZBOCLSA-N 1 0 291.351 2.632 20 5 CFBDRO CCOC[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255035677 383474001 /nfs/dbraw/zinc/47/40/01/383474001.db2.gz VWVAWWMWPGDJPV-VSKVDJIOSA-N 1 0 290.363 2.966 20 5 CFBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000261600100 383526315 /nfs/dbraw/zinc/52/63/15/383526315.db2.gz BJYTYKSRFVREES-UHFFFAOYSA-N 1 0 295.358 2.698 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451325952 383591436 /nfs/dbraw/zinc/59/14/36/383591436.db2.gz PIHXVQIFAVEHAL-GFCCVEGCSA-N 1 0 296.392 2.931 20 5 CFBDRO CC[NH2+]CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430553659 383594328 /nfs/dbraw/zinc/59/43/28/383594328.db2.gz DPRMWVYPAGRRFH-UHFFFAOYSA-N 1 0 295.358 2.555 20 5 CFBDRO C[C@@H](O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548472 383642199 /nfs/dbraw/zinc/64/21/99/383642199.db2.gz NMMRYFZUOBHWOP-TZMCWYRMSA-N 1 0 278.352 2.545 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCO3)C2)cc1 ZINC000451551232 383643859 /nfs/dbraw/zinc/64/38/59/383643859.db2.gz TYPVIVGLQOIQBN-GDBMZVCRSA-N 1 0 290.363 2.953 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCO3)C2)cc1 ZINC000451551235 383644034 /nfs/dbraw/zinc/64/40/34/383644034.db2.gz TYPVIVGLQOIQBN-ZBFHGGJFSA-N 1 0 290.363 2.953 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000451433703 383614646 /nfs/dbraw/zinc/61/46/46/383614646.db2.gz HBPHKEBRFAGWBP-LLVKDONJSA-N 1 0 268.361 2.596 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000451460722 383620453 /nfs/dbraw/zinc/62/04/53/383620453.db2.gz JULILUVRNWTVCK-FZZIBODNSA-N 1 0 294.326 2.637 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451486332 383625617 /nfs/dbraw/zinc/62/56/17/383625617.db2.gz DSLOJCODIAFMTG-KGLIPLIRSA-N 1 0 294.351 2.507 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451501643 383629524 /nfs/dbraw/zinc/62/95/24/383629524.db2.gz OTMNYMAPXFEJKA-OWYVNGRQSA-N 1 0 296.342 2.883 20 5 CFBDRO C[NH+](C)CCSc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436393883 383811347 /nfs/dbraw/zinc/81/13/47/383811347.db2.gz VPOIIZPPMYXMRC-UHFFFAOYSA-N 1 0 295.286 2.662 20 5 CFBDRO CC1=CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000436267622 383795251 /nfs/dbraw/zinc/79/52/51/383795251.db2.gz YFCRGFHAXYGUDB-UHFFFAOYSA-N 1 0 262.309 2.626 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000531582494 383891886 /nfs/dbraw/zinc/89/18/86/383891886.db2.gz JOAQESWBKRXJGZ-NSHDSACASA-N 1 0 295.383 2.992 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438493906 384011656 /nfs/dbraw/zinc/01/16/56/384011656.db2.gz WCAJWXOBQUABLR-LBPRGKRZSA-N 1 0 291.351 2.511 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532475944 384033622 /nfs/dbraw/zinc/03/36/22/384033622.db2.gz SWQUUOFVUMASOC-PWSUYJOCSA-N 1 0 266.341 2.836 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000574284668 384073403 /nfs/dbraw/zinc/07/34/03/384073403.db2.gz GXZITHAFGHJKOE-UKRRQHHQSA-N 1 0 288.347 2.596 20 5 CFBDRO COc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420270624 533035445 /nfs/dbraw/zinc/03/54/45/533035445.db2.gz CEIFZBYTJMEXSJ-UWVGGRQHSA-N 1 0 297.330 2.672 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277398377 384289684 /nfs/dbraw/zinc/28/96/84/384289684.db2.gz HLPJCPCYPXDEFJ-HNNXBMFYSA-N 1 0 291.395 2.819 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000220362919 285112052 /nfs/dbraw/zinc/11/20/52/285112052.db2.gz SRBARUBCEIRTCB-AWEZNQCLSA-N 1 0 289.379 2.559 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000268163899 384549811 /nfs/dbraw/zinc/54/98/11/384549811.db2.gz PGRJTVZDQULRIL-CHWSQXEVSA-N 1 0 277.368 2.680 20 5 CFBDRO COCCC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268787557 384661936 /nfs/dbraw/zinc/66/19/36/384661936.db2.gz AUVMYUMOFPAXOF-NSHDSACASA-N 1 0 282.340 2.508 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268859566 384679006 /nfs/dbraw/zinc/67/90/06/384679006.db2.gz FNJBCNRNSUVVPS-WBIUFABUSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000268893869 384686826 /nfs/dbraw/zinc/68/68/26/384686826.db2.gz OPOASHDCCASVRZ-BXUZGUMPSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000268946421 384698055 /nfs/dbraw/zinc/69/80/55/384698055.db2.gz QSQLIGLEYHWPSG-JQWIXIFHSA-N 1 0 266.341 2.572 20 5 CFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269002876 384710584 /nfs/dbraw/zinc/71/05/84/384710584.db2.gz KGXQGVVOHHVJCZ-JTNHKYCSSA-N 1 0 298.408 2.666 20 5 CFBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000269026507 384713395 /nfs/dbraw/zinc/71/33/95/384713395.db2.gz CSTDNZFRERDSSL-YMRXKLBXSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739326 384743130 /nfs/dbraw/zinc/74/31/30/384743130.db2.gz KKPUWBVDDFEMGF-WCQYABFASA-N 1 0 296.342 2.859 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692304 384837516 /nfs/dbraw/zinc/83/75/16/384837516.db2.gz VLDAXMGDYBQWKZ-RISCZKNCSA-N 1 0 266.341 2.749 20 5 CFBDRO CCC(=O)c1ccc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000279978304 384836255 /nfs/dbraw/zinc/83/62/55/384836255.db2.gz FEYYMQRCUKIRHI-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000269624264 384807975 /nfs/dbraw/zinc/80/79/75/384807975.db2.gz CAFLZPXBKGVITQ-LALPHHSUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000269630497 384811591 /nfs/dbraw/zinc/81/15/91/384811591.db2.gz FKKPUFBGRVOLMX-CYBMUJFWSA-N 1 0 266.341 2.606 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000280189358 384922574 /nfs/dbraw/zinc/92/25/74/384922574.db2.gz HIWHIZYIFCFEIF-OAHLLOKOSA-N 1 0 278.352 2.986 20 5 CFBDRO COc1ccc(C[NH2+]CCC2(C)CC2)cc1[N+](=O)[O-] ZINC000280494616 385034750 /nfs/dbraw/zinc/03/47/50/385034750.db2.gz FPTDNLWARHUUQI-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO CCC1(CO)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270879968 385256448 /nfs/dbraw/zinc/25/64/48/385256448.db2.gz LEJRLZUXMZPXCF-UHFFFAOYSA-N 1 0 292.379 2.622 20 5 CFBDRO COCCCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282472489 385321075 /nfs/dbraw/zinc/32/10/75/385321075.db2.gz NXFYSCBQPPDMNQ-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO CCC(CC)(CCO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000282506463 385330148 /nfs/dbraw/zinc/33/01/48/385330148.db2.gz RKXFNGYNPZCKRN-UHFFFAOYSA-N 1 0 296.367 2.504 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282491398 385325810 /nfs/dbraw/zinc/32/58/10/385325810.db2.gz MOBIMEXDXPOUPN-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO C[N@H+](CCOC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495568 385327321 /nfs/dbraw/zinc/32/73/21/385327321.db2.gz QGCKIVYBBIFCPA-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000271976984 385417148 /nfs/dbraw/zinc/41/71/48/385417148.db2.gz NZRBJGREJQIWOR-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCC[C@@H]1O ZINC000283161101 385441397 /nfs/dbraw/zinc/44/13/97/385441397.db2.gz OYONCPXQUNSJIM-WFASDCNBSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCO[C@H]1C1CC1 ZINC000283238703 385449047 /nfs/dbraw/zinc/44/90/47/385449047.db2.gz UPDGVDWTSKCREJ-LSDHHAIUSA-N 1 0 294.326 2.781 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283238753 385449225 /nfs/dbraw/zinc/44/92/25/385449225.db2.gz UPNRTUGWYOVOOY-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000288942962 197198111 /nfs/dbraw/zinc/19/81/11/197198111.db2.gz WXFQNBDJPBYFSE-OAHLLOKOSA-N 1 0 278.352 2.579 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272215438 385477039 /nfs/dbraw/zinc/47/70/39/385477039.db2.gz QZQYNXRBEOSOIH-QMTHXVAHSA-N 1 0 295.770 2.779 20 5 CFBDRO CC[N@H+](CCCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272300657 385502706 /nfs/dbraw/zinc/50/27/06/385502706.db2.gz ITXRIUUOBBPHFB-GFCCVEGCSA-N 1 0 266.341 2.669 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCO[C@H]21 ZINC000272318875 385509000 /nfs/dbraw/zinc/50/90/00/385509000.db2.gz PZKLVJIRGKPGGZ-MRVWCRGKSA-N 1 0 294.326 2.637 20 5 CFBDRO CC(C)C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000286169743 385566882 /nfs/dbraw/zinc/56/68/82/385566882.db2.gz PIZGNLAHLUSZLI-LBPRGKRZSA-N 1 0 280.372 2.565 20 5 CFBDRO C[NH2+]C(C)(C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000286398325 385609691 /nfs/dbraw/zinc/60/96/91/385609691.db2.gz ZHUHIBYGMAJNDT-UHFFFAOYSA-N 1 0 257.721 2.658 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCCO)CC1 ZINC000272906765 385647069 /nfs/dbraw/zinc/64/70/69/385647069.db2.gz GYHSUIZJTBQINT-UHFFFAOYSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286633595 385670493 /nfs/dbraw/zinc/67/04/93/385670493.db2.gz SQVMZDUXYWMQQW-LERXQTSPSA-N 1 0 264.325 2.501 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000288590876 197121821 /nfs/dbraw/zinc/12/18/21/197121821.db2.gz OOSGWLPHLYZKSX-NSHDSACASA-N 1 0 285.413 2.866 20 5 CFBDRO Cc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000274834144 385880253 /nfs/dbraw/zinc/88/02/53/385880253.db2.gz UBSLLQKJMMBIAB-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000275675796 385978859 /nfs/dbraw/zinc/97/88/59/385978859.db2.gz DBMGLZSLJOSCOX-CQSZACIVSA-N 1 0 278.352 2.890 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000275289508 385971676 /nfs/dbraw/zinc/97/16/76/385971676.db2.gz XUPXZZCILKWERM-ZFWWWQNUSA-N 1 0 294.351 2.651 20 5 CFBDRO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276934565 386084791 /nfs/dbraw/zinc/08/47/91/386084791.db2.gz RILTVFXHNVIGRN-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO CSCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000281477555 195257119 /nfs/dbraw/zinc/25/71/19/195257119.db2.gz SENOJCMPGIMNBW-UHFFFAOYSA-N 1 0 295.364 2.921 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281663040 195326718 /nfs/dbraw/zinc/32/67/18/195326718.db2.gz KWNGHULUEOHIDH-BXUZGUMPSA-N 1 0 264.325 2.594 20 5 CFBDRO COC(=O)CC1(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000281699194 195343591 /nfs/dbraw/zinc/34/35/91/195343591.db2.gz SOWKLKWIEGKZNL-LLVKDONJSA-N 1 0 292.335 2.589 20 5 CFBDRO C[NH+](C)CC1(Nc2ncc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000281746623 195362357 /nfs/dbraw/zinc/36/23/57/195362357.db2.gz FJELOFLAPROUCJ-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281916312 195433441 /nfs/dbraw/zinc/43/34/41/195433441.db2.gz GOLOINKLEUECID-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000426483213 533569897 /nfs/dbraw/zinc/56/98/97/533569897.db2.gz OGWCDHAUDQHIPO-CHWSQXEVSA-N 1 0 276.336 2.978 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(F)c1 ZINC000342011542 130197745 /nfs/dbraw/zinc/19/77/45/130197745.db2.gz GJCQUADFRVQBQY-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CCO)c(F)c1 ZINC000342059911 130228313 /nfs/dbraw/zinc/22/83/13/130228313.db2.gz HJOCGPSKXDWSAP-ZDUSSCGKSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC[C@@H](C)O ZINC000182810516 393514412 /nfs/dbraw/zinc/51/44/12/393514412.db2.gz LYZIVBWBHWZECW-NEPJUHHUSA-N 1 0 266.341 2.667 20 5 CFBDRO CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183277147 393518883 /nfs/dbraw/zinc/51/88/83/393518883.db2.gz XRDJSMRKEZDPRF-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331299091 393555362 /nfs/dbraw/zinc/55/53/62/393555362.db2.gz VFXHWLHZKMJBBF-DVOMOZLQSA-N 1 0 292.379 2.619 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054111141 393618536 /nfs/dbraw/zinc/61/85/36/393618536.db2.gz LAVOCMVQMUWDPI-LBPRGKRZSA-N 1 0 265.357 2.586 20 5 CFBDRO CC[C@H]([NH2+]CCN(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054109992 393619297 /nfs/dbraw/zinc/61/92/97/393619297.db2.gz UZCYGHSYXZPENY-AWEZNQCLSA-N 1 0 265.357 2.587 20 5 CFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193313539 393648180 /nfs/dbraw/zinc/64/81/80/393648180.db2.gz FNBRWFZFZHUVKA-ILXRZTDVSA-N 1 0 290.363 2.721 20 5 CFBDRO C[C@H]([NH2+]CCCOC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000193609231 393657817 /nfs/dbraw/zinc/65/78/17/393657817.db2.gz LZCNPPVNFYQVFA-VIFPVBQESA-N 1 0 274.267 2.875 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000081055354 393731207 /nfs/dbraw/zinc/73/12/07/393731207.db2.gz BXHCMSONLZVZQY-LLVKDONJSA-N 1 0 266.341 2.985 20 5 CFBDRO C[C@H]([NH2+]CCc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000411768648 393746918 /nfs/dbraw/zinc/74/69/18/393746918.db2.gz IXQRYXREVPGCKS-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000231074926 393780491 /nfs/dbraw/zinc/78/04/91/393780491.db2.gz LTGBQYUFSSTVSW-CQSZACIVSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245536122 393813584 /nfs/dbraw/zinc/81/35/84/393813584.db2.gz XHUINEDNBNMNQR-WFASDCNBSA-N 1 0 278.352 2.811 20 5 CFBDRO CCC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424309394 393821965 /nfs/dbraw/zinc/82/19/65/393821965.db2.gz AOJQNJFMRNRXFK-BFHYXJOUSA-N 1 0 264.325 2.549 20 5 CFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000459675764 393884903 /nfs/dbraw/zinc/88/49/03/393884903.db2.gz MPWVGSVVXWXJJI-CQSZACIVSA-N 1 0 278.352 2.986 20 5 CFBDRO COC[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178799 393899137 /nfs/dbraw/zinc/89/91/37/393899137.db2.gz ODSZEVMIECSZKD-XETPBLJFSA-N 1 0 290.363 2.966 20 5 CFBDRO Cc1c(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000246250933 393856514 /nfs/dbraw/zinc/85/65/14/393856514.db2.gz JLPKSIVBWYKZCH-FZMZJTMJSA-N 1 0 278.352 2.639 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000417394940 393956216 /nfs/dbraw/zinc/95/62/16/393956216.db2.gz DYRUTBGGERCVBC-ITDIGPHOSA-N 1 0 294.351 2.558 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211409 393968619 /nfs/dbraw/zinc/96/86/19/393968619.db2.gz JAQSWFSZZXNLNJ-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211829 393968981 /nfs/dbraw/zinc/96/89/81/393968981.db2.gz BBYNDCBBVKRHTN-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430230295 393970701 /nfs/dbraw/zinc/97/07/01/393970701.db2.gz XTXHKLYSKKIWHX-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000269062743 394001066 /nfs/dbraw/zinc/00/10/66/394001066.db2.gz URJORZIXYCHYSQ-RTXFEEFZSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000269061582 394001197 /nfs/dbraw/zinc/00/11/97/394001197.db2.gz UGSWFJAKGSPCMU-FZMZJTMJSA-N 1 0 290.319 2.880 20 5 CFBDRO CC[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000125154203 394002528 /nfs/dbraw/zinc/00/25/28/394002528.db2.gz MWRGZYWKUNUXAC-GFCCVEGCSA-N 1 0 264.325 2.706 20 5 CFBDRO C[NH+](C)CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000351831811 394007648 /nfs/dbraw/zinc/00/76/48/394007648.db2.gz SRLHWIKTSAIBTJ-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO CC[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125471706 394007918 /nfs/dbraw/zinc/00/79/18/394007918.db2.gz ABNVJQMMRUCJDH-GFCCVEGCSA-N 1 0 264.325 2.706 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1cccn1 ZINC000127058205 394041844 /nfs/dbraw/zinc/04/18/44/394041844.db2.gz XHWFXKKWSMAFGT-CYBMUJFWSA-N 1 0 288.351 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@@H]2CCOC2)C2CC2)cc1 ZINC000437582928 394060850 /nfs/dbraw/zinc/06/08/50/394060850.db2.gz ZBGMCSSZZXOURF-CQSZACIVSA-N 1 0 290.363 2.986 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420272134 394112252 /nfs/dbraw/zinc/11/22/52/394112252.db2.gz CYRNLICUOPIGKE-MNOVXSKESA-N 1 0 279.340 2.533 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420943520 394133601 /nfs/dbraw/zinc/13/36/01/394133601.db2.gz RCRVWSRHDZLYMX-UPJWGTAASA-N 1 0 278.352 2.606 20 5 CFBDRO CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284031386 394134148 /nfs/dbraw/zinc/13/41/48/394134148.db2.gz JICVUIPJTLXQEJ-LBPRGKRZSA-N 1 0 294.399 2.558 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421040990 394168329 /nfs/dbraw/zinc/16/83/29/394168329.db2.gz OEFCDAKCAYQCNG-CYBMUJFWSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286505443 394197853 /nfs/dbraw/zinc/19/78/53/394197853.db2.gz SKBJCONXEUABRE-BBRMVZONSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421371947 394205947 /nfs/dbraw/zinc/20/59/47/394205947.db2.gz FFZGMIZITXAZEH-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449089943 394215596 /nfs/dbraw/zinc/21/55/96/394215596.db2.gz FMCXADHYNXIIQD-OCCSQVGLSA-N 1 0 280.368 2.522 20 5 CFBDRO Cc1c(NC(=O)C[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000364485528 394219844 /nfs/dbraw/zinc/21/98/44/394219844.db2.gz NITAAZRWUJFISF-GFCCVEGCSA-N 1 0 291.351 2.622 20 5 CFBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290777103 394233574 /nfs/dbraw/zinc/23/35/74/394233574.db2.gz MKNIZGHAHRRKQO-HUUCEWRRSA-N 1 0 290.363 2.749 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160662 394235939 /nfs/dbraw/zinc/23/59/39/394235939.db2.gz MJYKIKOTIRCETH-GHMZBOCLSA-N 1 0 268.382 2.867 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177336 394242502 /nfs/dbraw/zinc/24/25/02/394242502.db2.gz SECSDFHQESQGLE-VNHYZAJKSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccncc1 ZINC000449183197 394245546 /nfs/dbraw/zinc/24/55/46/394245546.db2.gz FAPQVZSUAANZBP-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO CS[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187612 394247208 /nfs/dbraw/zinc/24/72/08/394247208.db2.gz KZODHGHBQMZKJA-GHMZBOCLSA-N 1 0 268.382 2.867 20 5 CFBDRO C[C@@H](Cc1ccoc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000449203530 394251612 /nfs/dbraw/zinc/25/16/12/394251612.db2.gz HXZBFWPLDGDDFZ-LBPRGKRZSA-N 1 0 274.320 2.951 20 5 CFBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604359 394275420 /nfs/dbraw/zinc/27/54/20/394275420.db2.gz MMURYRNEKGXLQV-IAQYHMDHSA-N 1 0 293.342 2.573 20 5 CFBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604373 394275484 /nfs/dbraw/zinc/27/54/84/394275484.db2.gz MMURYRNEKGXLQV-XHDPSFHLSA-N 1 0 293.342 2.573 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccccc2)c1 ZINC000453381897 394393168 /nfs/dbraw/zinc/39/31/68/394393168.db2.gz YMYBNXQXRHZBRD-UAGQMJEPSA-N 1 0 298.342 2.797 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000518718611 394371440 /nfs/dbraw/zinc/37/14/40/394371440.db2.gz ZYKCDMUJFUIMKB-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000453344574 394387778 /nfs/dbraw/zinc/38/77/78/394387778.db2.gz DRDJASODUUAXSO-RISCZKNCSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1(CO)CC1)CCC2 ZINC000453351080 394389366 /nfs/dbraw/zinc/38/93/66/394389366.db2.gz PIXGBPIZIYBYEA-OAHLLOKOSA-N 1 0 290.363 2.724 20 5 CFBDRO CCC[C@@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000537207514 394577591 /nfs/dbraw/zinc/57/75/91/394577591.db2.gz SNSSQKOMJWQEHR-CYBMUJFWSA-N 1 0 292.383 2.548 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCOCC1 ZINC000535798849 394545895 /nfs/dbraw/zinc/54/58/95/394545895.db2.gz JTBZJKYFZZLZNK-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC[S@](C)=O ZINC000539054280 394620422 /nfs/dbraw/zinc/62/04/22/394620422.db2.gz FOYXPHNPAJPUII-JGRMJRGVSA-N 1 0 298.408 2.711 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H](C)CO ZINC000540150416 394643286 /nfs/dbraw/zinc/64/32/86/394643286.db2.gz HMSIZOFVSMHVRL-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000548066597 394908137 /nfs/dbraw/zinc/90/81/37/394908137.db2.gz FVEUQKKAVJUNHH-ZDUSSCGKSA-N 1 0 288.351 2.612 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000556152244 394992013 /nfs/dbraw/zinc/99/20/13/394992013.db2.gz UAZXOBVPEPPUOX-ITGUQSILSA-N 1 0 294.351 2.519 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135797218 292058484 /nfs/dbraw/zinc/05/84/84/292058484.db2.gz ZZFWUMZBPRVBGX-SNVBAGLBSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421009364 397571374 /nfs/dbraw/zinc/57/13/74/397571374.db2.gz PXWNIISELYPOFX-WFASDCNBSA-N 1 0 277.368 2.682 20 5 CFBDRO CC[NH+](CC)C[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000045692582 397577021 /nfs/dbraw/zinc/57/70/21/397577021.db2.gz ZWNZPVGITAMFGU-ZDUSSCGKSA-N 1 0 279.384 2.723 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000356733469 155344115 /nfs/dbraw/zinc/34/41/15/155344115.db2.gz BIAUOCFCPLJZNZ-AWEZNQCLSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420306695 292296372 /nfs/dbraw/zinc/29/63/72/292296372.db2.gz AUEBHYAGZOJQOJ-BFHYXJOUSA-N 1 0 289.379 2.506 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1NCC12CCC[NH+]1CCC2 ZINC000343056790 154098519 /nfs/dbraw/zinc/09/85/19/154098519.db2.gz YPWQHTUFXLKGGI-UHFFFAOYSA-N 1 0 279.315 2.774 20 5 CFBDRO Cc1c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000348183437 154352429 /nfs/dbraw/zinc/35/24/29/154352429.db2.gz ZAPWQRYGKCEDRT-OAHLLOKOSA-N 1 0 289.379 2.572 20 5 CFBDRO COc1cc(C[N@@H+]2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348190438 154356704 /nfs/dbraw/zinc/35/67/04/154356704.db2.gz YUYCTCQZTVHGNS-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO COc1cc(C[N@@H+]2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348190439 154357236 /nfs/dbraw/zinc/35/72/36/154357236.db2.gz YUYCTCQZTVHGNS-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000355401711 155000163 /nfs/dbraw/zinc/00/01/63/155000163.db2.gz YDUPNWFWSHIJEG-UHFFFAOYSA-N 1 0 297.274 2.565 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)CC1CCC1 ZINC000355490889 155022262 /nfs/dbraw/zinc/02/22/62/155022262.db2.gz BLPSFJUWZOVBCG-UVCVVPOWSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000355735537 155071373 /nfs/dbraw/zinc/07/13/73/155071373.db2.gz DOBNCCZGDCYMPM-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cnc(N[C@@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000355783533 155084786 /nfs/dbraw/zinc/08/47/86/155084786.db2.gz OBDVDPQRDLCZQG-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959309 156126767 /nfs/dbraw/zinc/12/67/67/156126767.db2.gz XPMGBVXVJCSSRZ-VXGBXAGGSA-N 1 0 280.372 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC000367563201 156349467 /nfs/dbraw/zinc/34/94/67/156349467.db2.gz BGRODSCQDZTYMR-UHFFFAOYSA-N 1 0 290.363 2.686 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC23CCC(CO)CC3)cc1 ZINC000367741574 156384606 /nfs/dbraw/zinc/38/46/06/156384606.db2.gz SPBSSKLPDGGOIV-UHFFFAOYSA-N 1 0 290.363 2.722 20 5 CFBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000375119678 157198049 /nfs/dbraw/zinc/19/80/49/157198049.db2.gz FHTPJAHBRMZMJQ-HZPDHXFCSA-N 1 0 290.363 2.890 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000375320519 157225904 /nfs/dbraw/zinc/22/59/04/157225904.db2.gz NUMTWBKKJBCENB-INIZCTEOSA-N 1 0 290.363 2.906 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296618379 286797840 /nfs/dbraw/zinc/79/78/40/286797840.db2.gz WRIHFDQCKXFIAZ-QWRGUYRKSA-N 1 0 266.341 2.795 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344379572 162028747 /nfs/dbraw/zinc/02/87/47/162028747.db2.gz YLIZWAIHKLDHLQ-YJXTXKHHSA-N 1 0 276.336 2.765 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344584210 162073208 /nfs/dbraw/zinc/07/32/08/162073208.db2.gz UWGWMWKFTYQGIA-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000344750944 162116008 /nfs/dbraw/zinc/11/60/08/162116008.db2.gz OVKRLWWVVZNQHC-XJKSGUPXSA-N 1 0 292.379 2.932 20 5 CFBDRO CCN(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344918479 162147707 /nfs/dbraw/zinc/14/77/07/162147707.db2.gz XVEAUAPUMWZOMK-RAXLEYEMSA-N 1 0 277.368 2.539 20 5 CFBDRO CC[C@@H](O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000345042107 162167835 /nfs/dbraw/zinc/16/78/35/162167835.db2.gz XXHPNFWDHBHIEZ-SAAWKEMMSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@H](CCO)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000345043538 162168053 /nfs/dbraw/zinc/16/80/53/162168053.db2.gz IHNLXJLMJNKHEV-KADHNRKRSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)(CF)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349826547 163021234 /nfs/dbraw/zinc/02/12/34/163021234.db2.gz CXRFOVCJHPRFHO-ALCCZGGFSA-N 1 0 252.289 2.946 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349850531 163025055 /nfs/dbraw/zinc/02/50/55/163025055.db2.gz FROUJLGLTGCLAG-HGRFBSMBSA-N 1 0 276.336 2.525 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000350355173 163074154 /nfs/dbraw/zinc/07/41/54/163074154.db2.gz MXTLEOBICDNQNR-TZMCWYRMSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000350355169 163074367 /nfs/dbraw/zinc/07/43/67/163074367.db2.gz MXTLEOBICDNQNR-GXTWGEPZSA-N 1 0 278.352 2.808 20 5 CFBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765465 163190448 /nfs/dbraw/zinc/19/04/48/163190448.db2.gz BMFUCFAYJHXNDG-ZWNOBZJWSA-N 1 0 291.351 2.692 20 5 CFBDRO CC(C)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352679120 163221222 /nfs/dbraw/zinc/22/12/22/163221222.db2.gz PQYFZPHLDXAXFA-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000352777890 163233174 /nfs/dbraw/zinc/23/31/74/163233174.db2.gz DCHOYUADUMISOS-UHFFFAOYSA-N 1 0 271.320 2.842 20 5 CFBDRO Cc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000353100318 163306735 /nfs/dbraw/zinc/30/67/35/163306735.db2.gz UAVUEHZJGNDGMY-UHFFFAOYSA-N 1 0 295.726 2.877 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000353119200 163309634 /nfs/dbraw/zinc/30/96/34/163309634.db2.gz NKWIYJQRDQRMHW-CQSZACIVSA-N 1 0 277.368 2.559 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353564069 163394332 /nfs/dbraw/zinc/39/43/32/163394332.db2.gz HNPQVJPLKRCFCN-STQMWFEESA-N 1 0 279.384 2.974 20 5 CFBDRO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000049553820 287047823 /nfs/dbraw/zinc/04/78/23/287047823.db2.gz ZFKNFRKANAZMAK-NWDGAFQWSA-N 1 0 265.357 2.586 20 5 CFBDRO CC(C)(C)[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284192523 196000461 /nfs/dbraw/zinc/00/04/61/196000461.db2.gz YGVCNAAUVCUHAP-OAHLLOKOSA-N 1 0 292.379 2.966 20 5 CFBDRO Cc1cnc(OCC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000284233742 196009693 /nfs/dbraw/zinc/00/96/93/196009693.db2.gz NGLTXZZBGKCCFG-LBPRGKRZSA-N 1 0 279.340 2.551 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC2)cc1[N+](=O)[O-] ZINC000020127071 171012329 /nfs/dbraw/zinc/01/23/29/171012329.db2.gz XBLCGGWEBLMPEQ-ZDUSSCGKSA-N 1 0 277.368 2.650 20 5 CFBDRO CCCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020546129 171244128 /nfs/dbraw/zinc/24/41/28/171244128.db2.gz ZHRAPUOJVLRBPX-UHFFFAOYSA-N 1 0 252.314 2.883 20 5 CFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000035186036 172040839 /nfs/dbraw/zinc/04/08/39/172040839.db2.gz TYEIBZLCYZPQSF-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[N@H+](CCOC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000285304366 196246596 /nfs/dbraw/zinc/24/65/96/196246596.db2.gz LLQAPPCXWPLAIO-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO Cc1cccnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285309537 196247394 /nfs/dbraw/zinc/24/73/94/196247394.db2.gz LYVKDXIEOVOVQN-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000035601115 172288905 /nfs/dbraw/zinc/28/89/05/172288905.db2.gz CTGARLXBWFYFFR-WBMJQRKESA-N 1 0 286.331 2.979 20 5 CFBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306473 196246408 /nfs/dbraw/zinc/24/64/08/196246408.db2.gz SHLXHHZPOOVQTD-LLVKDONJSA-N 1 0 295.383 2.769 20 5 CFBDRO C[C@H]1CC[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444097 196286426 /nfs/dbraw/zinc/28/64/26/196286426.db2.gz XVSOKOOREUKKIJ-GXTWGEPZSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285617197 196345449 /nfs/dbraw/zinc/34/54/49/196345449.db2.gz KDDAYVUFVIRCMV-SECBINFHSA-N 1 0 272.732 2.715 20 5 CFBDRO CCCC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000037149799 172986103 /nfs/dbraw/zinc/98/61/03/172986103.db2.gz RDXRUMCNYLLWRN-UHFFFAOYSA-N 1 0 291.395 2.949 20 5 CFBDRO COc1ccc(C[NH2+]CC2CCCC2)cc1[N+](=O)[O-] ZINC000037258491 173069288 /nfs/dbraw/zinc/06/92/88/173069288.db2.gz CKTBDGKGSSWDNF-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccco2)cc1 ZINC000038059502 174069428 /nfs/dbraw/zinc/06/94/28/174069428.db2.gz LMRVOTOOEZRSSP-UHFFFAOYSA-N 1 0 260.293 2.563 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000038079451 174089612 /nfs/dbraw/zinc/08/96/12/174089612.db2.gz HVRKWILDSULYID-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO CCC[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087861 174100879 /nfs/dbraw/zinc/10/08/79/174100879.db2.gz ASXPUHCOQUZHOP-WFASDCNBSA-N 1 0 279.384 2.976 20 5 CFBDRO COc1ccc(C[NH2+]CC(C)(C)C)cc1[N+](=O)[O-] ZINC000040493891 174293231 /nfs/dbraw/zinc/29/32/31/174293231.db2.gz JIRXIGCNPXQVMN-UHFFFAOYSA-N 1 0 252.314 2.739 20 5 CFBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040593235 174347856 /nfs/dbraw/zinc/34/78/56/174347856.db2.gz GSTNXFALBACUSM-QWHCGFSZSA-N 1 0 277.368 2.587 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040624174 174356379 /nfs/dbraw/zinc/35/63/79/174356379.db2.gz DHUQHZSUOQOMBY-LLVKDONJSA-N 1 0 281.331 2.876 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccsc2)cc1 ZINC000040675870 174373352 /nfs/dbraw/zinc/37/33/52/174373352.db2.gz YAODBLBHKHMRJU-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042816125 174886144 /nfs/dbraw/zinc/88/61/44/174886144.db2.gz NLCKOUWGCUXANP-ZDUSSCGKSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534304 175196978 /nfs/dbraw/zinc/19/69/78/175196978.db2.gz UKAZFNOYKOWBAQ-ZIAGYGMSSA-N 1 0 291.395 2.896 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000044572633 175210360 /nfs/dbraw/zinc/21/03/60/175210360.db2.gz JIOVOPYTOVMKHG-NSHDSACASA-N 1 0 267.304 2.629 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044656927 175225970 /nfs/dbraw/zinc/22/59/70/175225970.db2.gz SMGQMBWGSHVOSL-NSHDSACASA-N 1 0 252.314 2.672 20 5 CFBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000072082415 176313819 /nfs/dbraw/zinc/31/38/19/176313819.db2.gz SSVBZBJTEMIODM-NSHDSACASA-N 1 0 290.319 2.715 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076054495 176894035 /nfs/dbraw/zinc/89/40/35/176894035.db2.gz BOOUYRJBWVBRHU-HNNXBMFYSA-N 1 0 277.368 2.511 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000418089580 228025345 /nfs/dbraw/zinc/02/53/45/228025345.db2.gz BLKFFMPFEYDDHM-AWEZNQCLSA-N 1 0 266.341 2.746 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000313061711 260242573 /nfs/dbraw/zinc/24/25/73/260242573.db2.gz OEMVSKBBJGLOKB-GXFFZTMASA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000313061710 260242647 /nfs/dbraw/zinc/24/26/47/260242647.db2.gz OEMVSKBBJGLOKB-GWCFXTLKSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000518080306 260341089 /nfs/dbraw/zinc/34/10/89/260341089.db2.gz XHTZDGYEBGPWTL-NSHDSACASA-N 1 0 291.351 2.572 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152688570 261067841 /nfs/dbraw/zinc/06/78/41/261067841.db2.gz AMMXTXOHDXLYKR-CHWSQXEVSA-N 1 0 276.336 2.706 20 5 CFBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361237224 261179117 /nfs/dbraw/zinc/17/91/17/261179117.db2.gz NNTIIYRMSLRQBL-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000226727290 270256688 /nfs/dbraw/zinc/25/66/88/270256688.db2.gz IUUSFSLWWXWQGM-BFHYXJOUSA-N 1 0 278.352 2.795 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCCCO2)cs1 ZINC000227337655 270257387 /nfs/dbraw/zinc/25/73/87/270257387.db2.gz RDWSLSSFEUTKDY-NSHDSACASA-N 1 0 270.354 2.705 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192841762 270235301 /nfs/dbraw/zinc/23/53/01/270235301.db2.gz NUOPGRDSSQRSKE-GJZGRUSLSA-N 1 0 278.352 2.723 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000322796435 270296530 /nfs/dbraw/zinc/29/65/30/270296530.db2.gz OXSNPYCMILJKQX-BXUZGUMPSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397270842 270316655 /nfs/dbraw/zinc/31/66/55/270316655.db2.gz MUNGQJZXXXAOIX-HUBLWGQQSA-N 1 0 291.395 2.708 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000398502694 270322578 /nfs/dbraw/zinc/32/25/78/270322578.db2.gz ZOCHXAIPVQLHBS-VXGBXAGGSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000398502687 270322732 /nfs/dbraw/zinc/32/27/32/270322732.db2.gz ZOCHXAIPVQLHBS-NEPJUHHUSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000414495462 270331179 /nfs/dbraw/zinc/33/11/79/270331179.db2.gz HEGASVPCPKGFCO-ZYHUDNBSSA-N 1 0 266.366 2.887 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1=CCOCC1 ZINC000516584027 270384289 /nfs/dbraw/zinc/38/42/89/270384289.db2.gz MIOVCENNRBRGQB-CQSZACIVSA-N 1 0 274.320 2.518 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315650 273556224 /nfs/dbraw/zinc/55/62/24/273556224.db2.gz SQQWZOODRHUPDK-JKSUJKDBSA-N 1 0 292.379 2.969 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279360357 273816269 /nfs/dbraw/zinc/81/62/69/273816269.db2.gz KGYMAFBARFCOFV-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000194059480 274302911 /nfs/dbraw/zinc/30/29/11/274302911.db2.gz UZPZOTGIAGLLTP-NXEZZACHSA-N 1 0 279.296 2.733 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769399 274312024 /nfs/dbraw/zinc/31/20/24/274312024.db2.gz CPJPFXDNALULOE-CZUORRHYSA-N 1 0 292.379 2.620 20 5 CFBDRO Cc1cc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301114869 274706703 /nfs/dbraw/zinc/70/67/03/274706703.db2.gz VPUUAUAUOUVVGL-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000300409332 275033754 /nfs/dbraw/zinc/03/37/54/275033754.db2.gz XAZZAVIHOIAKSK-UWVGGRQHSA-N 1 0 297.305 2.912 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413382 275039859 /nfs/dbraw/zinc/03/98/59/275039859.db2.gz ZXIIDDWCNYCWPT-UKRRQHHQSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000269797243 275040102 /nfs/dbraw/zinc/04/01/02/275040102.db2.gz IFGUGOAHWMRCFM-KRWDZBQOSA-N 1 0 298.342 2.518 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000301992510 275040722 /nfs/dbraw/zinc/04/07/22/275040722.db2.gz NWAKTDFYDRSMIH-UWVGGRQHSA-N 1 0 267.354 2.695 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300405523 275041413 /nfs/dbraw/zinc/04/14/13/275041413.db2.gz VNGDLACPVWKWOZ-ZJUUUORDSA-N 1 0 296.758 2.682 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000227649592 275041423 /nfs/dbraw/zinc/04/14/23/275041423.db2.gz VNGDLACPVWKWOZ-VHSXEESVSA-N 1 0 296.758 2.682 20 5 CFBDRO CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539093 275511434 /nfs/dbraw/zinc/51/14/34/275511434.db2.gz FLSNACQSAMWLEO-RYUDHWBXSA-N 1 0 280.372 2.911 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357035 275861286 /nfs/dbraw/zinc/86/12/86/275861286.db2.gz ZMEHLMBPMOYIGH-LBPRGKRZSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000077248578 276149035 /nfs/dbraw/zinc/14/90/35/276149035.db2.gz JBJCRSBNGOJWHM-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CC[NH+]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000347691939 276242266 /nfs/dbraw/zinc/24/22/66/276242266.db2.gz OMLXXQADDRKWGP-CHWSQXEVSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[N@H+](CCOC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270783180 276349619 /nfs/dbraw/zinc/34/96/19/276349619.db2.gz PHRSORVILYTYBM-LLVKDONJSA-N 1 0 252.314 2.624 20 5 CFBDRO CC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352699871 276385057 /nfs/dbraw/zinc/38/50/57/276385057.db2.gz SOBRTJFJXVRFSW-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357037 276639947 /nfs/dbraw/zinc/63/99/47/276639947.db2.gz NRDHZONRHNNDCG-OCCSQVGLSA-N 1 0 264.325 2.642 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199682 277084241 /nfs/dbraw/zinc/08/42/41/277084241.db2.gz YGBGHMNDVISGNQ-GOEBONIOSA-N 1 0 289.379 2.511 20 5 CFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282109620 277241271 /nfs/dbraw/zinc/24/12/71/277241271.db2.gz IZBSAJGAAKGZQX-OCCSQVGLSA-N 1 0 278.352 2.890 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178551299 277248655 /nfs/dbraw/zinc/24/86/55/277248655.db2.gz ZLTGCLOCMWULNM-IINYFYTJSA-N 1 0 264.325 2.670 20 5 CFBDRO COC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000182661417 277469013 /nfs/dbraw/zinc/46/90/13/277469013.db2.gz GITGHYUJXGHMSH-NSHDSACASA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000020526024 277614873 /nfs/dbraw/zinc/61/48/73/277614873.db2.gz HATHPBOTDCUTIA-VOMCLLRMSA-N 1 0 264.325 2.549 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290085919 277712780 /nfs/dbraw/zinc/71/27/80/277712780.db2.gz HCSSUMFAAFQROG-UEKVPHQBSA-N 1 0 278.352 2.985 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353074564 278037516 /nfs/dbraw/zinc/03/75/16/278037516.db2.gz UWKJVBGPWYSPPR-CQSZACIVSA-N 1 0 292.379 2.826 20 5 CFBDRO C[C@@H](CN(C)C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294785 278240084 /nfs/dbraw/zinc/24/00/84/278240084.db2.gz RFVOUABSNTYUFK-NHYWBVRUSA-N 1 0 291.395 2.857 20 5 CFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000358173076 278343979 /nfs/dbraw/zinc/34/39/79/278343979.db2.gz IYNNGJGKWQYTMP-HIFRSBDPSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329587 278352515 /nfs/dbraw/zinc/35/25/15/278352515.db2.gz MXBJVZHUIIZKJQ-DOMZBBRYSA-N 1 0 277.368 2.635 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000163922687 278379048 /nfs/dbraw/zinc/37/90/48/278379048.db2.gz VHMQSIAKGIEFPQ-GHMZBOCLSA-N 1 0 274.324 2.740 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000135141086 278379123 /nfs/dbraw/zinc/37/91/23/278379123.db2.gz BEMDRPHFZRJINM-GHMZBOCLSA-N 1 0 293.367 2.549 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000183341731 278382335 /nfs/dbraw/zinc/38/23/35/278382335.db2.gz ZCFJYGOIKNTZBF-YPMHNXCESA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420368301 278571583 /nfs/dbraw/zinc/57/15/83/278571583.db2.gz NNELPFHLYDKOOO-RULNRJAQSA-N 1 0 297.786 2.724 20 5 CFBDRO CC(C)C[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075760912 278869638 /nfs/dbraw/zinc/86/96/38/278869638.db2.gz RKVXXTRTTGUKTM-UHFFFAOYSA-N 1 0 291.395 2.805 20 5 CFBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000330971546 279207126 /nfs/dbraw/zinc/20/71/26/279207126.db2.gz HDXFPYKZFNREMG-GFCCVEGCSA-N 1 0 280.372 2.729 20 5 CFBDRO CC[NH+]1CCC(N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153560021 279258091 /nfs/dbraw/zinc/25/80/91/279258091.db2.gz SMUSTEXSRZLDRS-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO C[C@H](CCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315563 279270644 /nfs/dbraw/zinc/27/06/44/279270644.db2.gz SHYHDNCEPPNBHN-ABAIWWIYSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@H](CN(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348310708 279279992 /nfs/dbraw/zinc/27/99/92/279279992.db2.gz STVDBQWMEKDACU-IAQYHMDHSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@H](CN(C)C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294783 279280097 /nfs/dbraw/zinc/28/00/97/279280097.db2.gz RFVOUABSNTYUFK-ABAIWWIYSA-N 1 0 291.395 2.857 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449643756 288120519 /nfs/dbraw/zinc/12/05/19/288120519.db2.gz ZHXLLBOPDWRQPV-IVSDIMSDSA-N 1 0 278.352 2.747 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC000359084498 280399863 /nfs/dbraw/zinc/39/98/63/280399863.db2.gz RBUKELKIBGVHPR-MFKMUULPSA-N 1 0 290.367 2.501 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080306394 280538728 /nfs/dbraw/zinc/53/87/28/280538728.db2.gz IXHJNZVFWXHPCP-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131540536 280720075 /nfs/dbraw/zinc/72/00/75/280720075.db2.gz SLYQPYAQFKFLPY-GFCCVEGCSA-N 1 0 266.341 2.980 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190915665 280892825 /nfs/dbraw/zinc/89/28/25/280892825.db2.gz OBQVLCJKECCJPG-GXTWGEPZSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190915633 280892962 /nfs/dbraw/zinc/89/29/62/280892962.db2.gz OBQVLCJKECCJPG-JSGCOSHPSA-N 1 0 264.325 2.560 20 5 CFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1C ZINC000249337188 281055826 /nfs/dbraw/zinc/05/58/26/281055826.db2.gz IKNBCXPAAXSUJY-CHWSQXEVSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000249633682 281064651 /nfs/dbraw/zinc/06/46/51/281064651.db2.gz VYUAEDDOEACNJI-ZJUUUORDSA-N 1 0 284.385 2.584 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)C(C)C ZINC000341812774 281261078 /nfs/dbraw/zinc/26/10/78/281261078.db2.gz ZOFCHFVIMCRYRA-GFCCVEGCSA-N 1 0 293.367 2.818 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000512887754 281261212 /nfs/dbraw/zinc/26/12/12/281261212.db2.gz BBADPIXMXYCHQC-NWDGAFQWSA-N 1 0 263.341 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000515432978 281293146 /nfs/dbraw/zinc/29/31/46/281293146.db2.gz MVOGLNVVRFDNIA-HUBLWGQQSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000531712280 281439312 /nfs/dbraw/zinc/43/93/12/281439312.db2.gz SNCSBDRBLCGORS-WFASDCNBSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000532507262 281455724 /nfs/dbraw/zinc/45/57/24/281455724.db2.gz KGNOTRGVZDUMIS-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000537959546 281547120 /nfs/dbraw/zinc/54/71/20/281547120.db2.gz LSEDDCAWAFZXTK-IPYPFGDCSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC1 ZINC000537984777 281547925 /nfs/dbraw/zinc/54/79/25/281547925.db2.gz IZYGMIQTFPJWRS-NSHDSACASA-N 1 0 291.351 2.702 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(C2CC2)CC1 ZINC000542522926 281627648 /nfs/dbraw/zinc/62/76/48/281627648.db2.gz ZIRITCIWUFUAOJ-UHFFFAOYSA-N 1 0 262.309 2.506 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000557539616 281966140 /nfs/dbraw/zinc/96/61/40/281966140.db2.gz FMXGAEYLJRAIAQ-UTUOFQBUSA-N 1 0 266.341 2.977 20 5 CFBDRO C[C@@H](F)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560462440 282028237 /nfs/dbraw/zinc/02/82/37/282028237.db2.gz OHKCUXVCYSEOSU-SNVBAGLBSA-N 1 0 252.289 2.701 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228082502 522690239 /nfs/dbraw/zinc/69/02/39/522690239.db2.gz ZSOOVZJVRINNNE-WDMOLILDSA-N 1 0 266.341 2.795 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000311450291 290015538 /nfs/dbraw/zinc/01/55/38/290015538.db2.gz SBJXKVOTMRNDGV-JTQLQIEISA-N 1 0 269.320 2.875 20 5 CFBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000562467945 290045613 /nfs/dbraw/zinc/04/56/13/290045613.db2.gz KSBYDCYDUDAAKS-HIFRSBDPSA-N 1 0 278.352 2.985 20 5 CFBDRO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000420356909 290061834 /nfs/dbraw/zinc/06/18/34/290061834.db2.gz CYPXBWLPKGGORJ-UUIJZJDISA-N 1 0 277.368 2.632 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416099 290146320 /nfs/dbraw/zinc/14/63/20/290146320.db2.gz FSKBPTWRVVCFKZ-GDBMZVCRSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563415984 290146519 /nfs/dbraw/zinc/14/65/19/290146519.db2.gz DZLAQKLEJAFASK-MFKMUULPSA-N 1 0 264.325 2.597 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564099509 290193029 /nfs/dbraw/zinc/19/30/29/290193029.db2.gz KIGYVAHVUOJWTO-YDHLFZDLSA-N 1 0 278.352 2.721 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564811921 290234960 /nfs/dbraw/zinc/23/49/60/290234960.db2.gz SGRURXSVBVZFTG-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO O=C(CC[NH2+][C@H]1C=CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000566111328 290349068 /nfs/dbraw/zinc/34/90/68/290349068.db2.gz ARDCYZOSAPTXQI-LBPRGKRZSA-N 1 0 289.335 2.622 20 5 CFBDRO Cc1c(NC(=O)CC[N@@H+](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000566184250 290356832 /nfs/dbraw/zinc/35/68/32/290356832.db2.gz JKRNFCRIHHUBPA-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414517102 533693685 /nfs/dbraw/zinc/69/36/85/533693685.db2.gz YHZWGCDPLOKZRN-VXGBXAGGSA-N 1 0 282.315 2.974 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000451816139 301867507 /nfs/dbraw/zinc/86/75/07/301867507.db2.gz YIMBDRDBIXBEPQ-RISCZKNCSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420290346 301868717 /nfs/dbraw/zinc/86/87/17/301868717.db2.gz LWDRJESERRGZJU-MJBXVCDLSA-N 1 0 289.379 2.791 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000420297223 301868724 /nfs/dbraw/zinc/86/87/24/301868724.db2.gz REDORWZHTFHXBA-AVGNSLFASA-N 1 0 277.368 2.646 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163600695 322377429 /nfs/dbraw/zinc/37/74/29/322377429.db2.gz XGRBLVWKFIRUTE-YPMHNXCESA-N 1 0 266.341 2.715 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163600443 322377666 /nfs/dbraw/zinc/37/76/66/322377666.db2.gz XGRBLVWKFIRUTE-AAEUAGOBSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000171057205 322399208 /nfs/dbraw/zinc/39/92/08/322399208.db2.gz NJKCZPWCAYAHCP-UHFFFAOYSA-N 1 0 279.340 2.572 20 5 CFBDRO O=[N+]([O-])c1ccccc1CSCC1CC[NH2+]CC1 ZINC000569967364 322506734 /nfs/dbraw/zinc/50/67/34/322506734.db2.gz WMBXNPDQEOVNCE-UHFFFAOYSA-N 1 0 266.366 2.828 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2O)cc1[N+](=O)[O-] ZINC000570364993 322528410 /nfs/dbraw/zinc/52/84/10/322528410.db2.gz ARKPPZLUZDFNIV-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO C[C@H](NC(=O)CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000570368697 322528683 /nfs/dbraw/zinc/52/86/83/322528683.db2.gz ZCYWWVIXDYDQBU-LBPRGKRZSA-N 1 0 293.367 2.504 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(C)(C)CO ZINC000570404547 322531348 /nfs/dbraw/zinc/53/13/48/322531348.db2.gz SUOAGHLECIIWMT-GFCCVEGCSA-N 1 0 280.368 2.962 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570590935 322540270 /nfs/dbraw/zinc/54/02/70/322540270.db2.gz ZPULUDQFSZXLFK-SCDSUCTJSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOC(F)(F)F ZINC000571536973 322587141 /nfs/dbraw/zinc/58/71/41/322587141.db2.gz WSAOQCUBMYNVGW-JTQLQIEISA-N 1 0 290.241 2.708 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000572642256 322626591 /nfs/dbraw/zinc/62/65/91/322626591.db2.gz VZBWIMUDYFJERM-GMXVVIOVSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000574875817 322709238 /nfs/dbraw/zinc/70/92/38/322709238.db2.gz XVOSIVMUGAHBJZ-PTEHBNRSSA-N 1 0 294.351 2.649 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000181114314 323800529 /nfs/dbraw/zinc/80/05/29/323800529.db2.gz QBTWCGZCVCVAOD-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO Cc1c[nH+]ccc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191976894 324056119 /nfs/dbraw/zinc/05/61/19/324056119.db2.gz UNQYXWUGFCCYJE-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO Cc1cccc(OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000192797933 324065006 /nfs/dbraw/zinc/06/50/06/324065006.db2.gz HBMDAMQSMYBCGS-UHFFFAOYSA-N 1 0 264.325 2.768 20 5 CFBDRO CCC[C@H](CC)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579827548 324982922 /nfs/dbraw/zinc/98/29/22/324982922.db2.gz PJEYYODUAUXTHA-JSGCOSHPSA-N 1 0 296.367 2.503 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580095202 325007731 /nfs/dbraw/zinc/00/77/31/325007731.db2.gz LQNIEOJQDHCKCS-TZMCWYRMSA-N 1 0 276.336 2.597 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000580204797 325016297 /nfs/dbraw/zinc/01/62/97/325016297.db2.gz FBFMSBAQTKOPNQ-WQAPRBAYSA-N 1 0 292.379 2.995 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736516 325147749 /nfs/dbraw/zinc/14/77/49/325147749.db2.gz YIBGQVYFBJCSEF-FZMZJTMJSA-N 1 0 278.352 2.580 20 5 CFBDRO Cc1cnc(OCc2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000582609629 325219737 /nfs/dbraw/zinc/21/97/37/325219737.db2.gz NLZFNIULBIOAST-UHFFFAOYSA-N 1 0 299.330 2.523 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583391457 325284308 /nfs/dbraw/zinc/28/43/08/325284308.db2.gz VWPKURWIOLJEIZ-BXUZGUMPSA-N 1 0 278.352 2.580 20 5 CFBDRO CCCC[NH+](CCCC)CCn1ccc([N+](=O)[O-])n1 ZINC000176204037 520495482 /nfs/dbraw/zinc/49/54/82/520495482.db2.gz WPVYWPSNLPXQDO-UHFFFAOYSA-N 1 0 268.361 2.694 20 5 CFBDRO CC1(C)[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000594991126 500641375 /nfs/dbraw/zinc/64/13/75/500641375.db2.gz DKGSFNUIZKXDQY-NSHDSACASA-N 1 0 270.279 2.976 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000361236973 521331299 /nfs/dbraw/zinc/33/12/99/521331299.db2.gz HPIQWQZEUGSULP-CQSZACIVSA-N 1 0 264.325 2.514 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)O1 ZINC000414517727 533871651 /nfs/dbraw/zinc/87/16/51/533871651.db2.gz RFRQGWOUPFYFJO-CKYFFXLPSA-N 1 0 282.315 2.637 20 5 CFBDRO CS[C@@H]1CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000425338268 534001701 /nfs/dbraw/zinc/00/17/01/534001701.db2.gz AYMMOVYINZPBRZ-CHWSQXEVSA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000414765416 534023438 /nfs/dbraw/zinc/02/34/38/534023438.db2.gz FUTYKWSURZLCRY-ZZEYUXRUSA-N 1 0 289.379 2.667 20 5 CFBDRO CS[C@H]1CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000425338271 534112167 /nfs/dbraw/zinc/11/21/67/534112167.db2.gz AYMMOVYINZPBRZ-STQMWFEESA-N 1 0 266.366 2.621 20 5 CFBDRO CCCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665000 520182164 /nfs/dbraw/zinc/18/21/64/520182164.db2.gz ANRBLEIDFLAOPV-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072858673 520249049 /nfs/dbraw/zinc/24/90/49/520249049.db2.gz BDEWQVPNXUJUIU-KBPBESRZSA-N 1 0 291.395 2.929 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000077383039 520335598 /nfs/dbraw/zinc/33/55/98/520335598.db2.gz RHHGDEZQYAVLCW-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000341126793 520413669 /nfs/dbraw/zinc/41/36/69/520413669.db2.gz RKCFYOYWYQAVRL-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO CCOc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000300174151 520749830 /nfs/dbraw/zinc/74/98/30/520749830.db2.gz CGSKPULXEATLAI-YPMHNXCESA-N 1 0 293.367 2.557 20 5 CFBDRO CC[N@H+](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000156633966 521080981 /nfs/dbraw/zinc/08/09/81/521080981.db2.gz SNRYKIUEUZQDIJ-ZDUSSCGKSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365883284 521545532 /nfs/dbraw/zinc/54/55/32/521545532.db2.gz FEYXQDUFSHHJSL-UHFFFAOYSA-N 1 0 261.325 2.594 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000353097460 521613375 /nfs/dbraw/zinc/61/33/75/521613375.db2.gz TUGQZIZOVAYNQN-ZDUSSCGKSA-N 1 0 279.384 2.805 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245428294 521720718 /nfs/dbraw/zinc/72/07/18/521720718.db2.gz MLRAUKWBLTUSEO-AAEUAGOBSA-N 1 0 297.424 2.818 20 5 CFBDRO CC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000054472382 521994908 /nfs/dbraw/zinc/99/49/08/521994908.db2.gz QMQGZICSZMOVJD-SNVBAGLBSA-N 1 0 252.314 2.739 20 5 CFBDRO [NH3+]CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423196260 534616488 /nfs/dbraw/zinc/61/64/88/534616488.db2.gz UZELPGSMTGKIJN-MRXNPFEDSA-N 1 0 285.347 2.623 20 5 CFBDRO COC[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000072714130 522250223 /nfs/dbraw/zinc/25/02/23/522250223.db2.gz KLODDGQOXQBELP-LLVKDONJSA-N 1 0 266.341 2.843 20 5 CFBDRO COC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230691116 522667056 /nfs/dbraw/zinc/66/70/56/522667056.db2.gz YJDPOWSFHVNFLE-UHFFFAOYSA-N 1 0 270.716 2.515 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000294962848 522741756 /nfs/dbraw/zinc/74/17/56/522741756.db2.gz JKKGZQVIOGKWJQ-MFKMUULPSA-N 1 0 266.341 2.795 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340673263 523108318 /nfs/dbraw/zinc/10/83/18/523108318.db2.gz FWTHBCYBYQHSQR-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](CC(C)C)[NH+](C)C ZINC000360882166 523143479 /nfs/dbraw/zinc/14/34/79/523143479.db2.gz ZRVODKJNSWJIIZ-GFCCVEGCSA-N 1 0 297.403 2.508 20 5 CFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000155749678 523528331 /nfs/dbraw/zinc/52/83/31/523528331.db2.gz XOONYUMKWOSYOA-UHFFFAOYSA-N 1 0 270.354 2.515 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000220303041 523923496 /nfs/dbraw/zinc/92/34/96/523923496.db2.gz SIEBEUOLVTWQHF-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO Cc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000230155518 524601673 /nfs/dbraw/zinc/60/16/73/524601673.db2.gz PAXHALWTRDPNOK-FZMZJTMJSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cccc(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000218852643 524683906 /nfs/dbraw/zinc/68/39/06/524683906.db2.gz CBPSWUCLVGENPX-GFCCVEGCSA-N 1 0 263.341 2.657 20 5 CFBDRO Cc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000300420950 524696540 /nfs/dbraw/zinc/69/65/40/524696540.db2.gz ARJKSNAJKJEUCD-OLZOCXBDSA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@@H](CO)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000340104018 524771049 /nfs/dbraw/zinc/77/10/49/524771049.db2.gz IBNODMSLCQYOOU-DMTLFAOVSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000227890853 524930668 /nfs/dbraw/zinc/93/06/68/524930668.db2.gz MUKWHVUZGVFQSC-DTWKUNHWSA-N 1 0 285.294 2.768 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000133780122 525450634 /nfs/dbraw/zinc/45/06/34/525450634.db2.gz VGFUWPOATYVNLI-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000338646889 525451141 /nfs/dbraw/zinc/45/11/41/525451141.db2.gz MOEQSLCBCYIMJZ-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCCC2)c1 ZINC000338641624 525451195 /nfs/dbraw/zinc/45/11/95/525451195.db2.gz NKDPFKDQOKSXOK-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccn1C)c1cccc([N+](=O)[O-])c1 ZINC000050595959 525541239 /nfs/dbraw/zinc/54/12/39/525541239.db2.gz CPGLAQHMULOCRO-LLVKDONJSA-N 1 0 259.309 2.784 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000312632080 525560657 /nfs/dbraw/zinc/56/06/57/525560657.db2.gz QUDGWIPRDIBXNS-SGMGOOAPSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000235448508 525582834 /nfs/dbraw/zinc/58/28/34/525582834.db2.gz PHKLPXBZIAYNGM-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173430307 525631976 /nfs/dbraw/zinc/63/19/76/525631976.db2.gz AOBIKSRCBBWLSE-GWCFXTLKSA-N 1 0 286.335 2.526 20 5 CFBDRO C[C@@H]1[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000361158038 525683287 /nfs/dbraw/zinc/68/32/87/525683287.db2.gz YVLYHKRQZHFTMU-RNUUNTDPSA-N 1 0 289.379 2.632 20 5 CFBDRO Cc1c(CN2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170741375 525708238 /nfs/dbraw/zinc/70/82/38/525708238.db2.gz BITIGIFOVSGNRF-HNNXBMFYSA-N 1 0 289.379 2.573 20 5 CFBDRO Cc1c(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125070 525727510 /nfs/dbraw/zinc/72/75/10/525727510.db2.gz IPXFBSXSZPMZRJ-LALPHHSUSA-N 1 0 291.395 2.722 20 5 CFBDRO Cc1c([C@H](C)NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000155762301 525915870 /nfs/dbraw/zinc/91/58/70/525915870.db2.gz WUFGTLYVFAWVHG-ZDUSSCGKSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305115088 525922571 /nfs/dbraw/zinc/92/25/71/525922571.db2.gz HQSCSLCWUYJJIO-SWLSCSKDSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000313075130 525926245 /nfs/dbraw/zinc/92/62/45/525926245.db2.gz WDYZGAGKNSYTPB-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339387275 526054455 /nfs/dbraw/zinc/05/44/55/526054455.db2.gz JTCQVKZYTSVVSV-LLVKDONJSA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000357956067 526059603 /nfs/dbraw/zinc/05/96/03/526059603.db2.gz GJQASNFJVARVKW-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCCC2)n1 ZINC000360670042 526059877 /nfs/dbraw/zinc/05/98/77/526059877.db2.gz TWHLLBGRZGQVGS-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000176229440 526647774 /nfs/dbraw/zinc/64/77/74/526647774.db2.gz LHEWSHVBKKPPQB-OLZOCXBDSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(=O)c1cc(NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420277774 527216381 /nfs/dbraw/zinc/21/63/81/527216381.db2.gz IVRHNVHXCSTGIM-RYUDHWBXSA-N 1 0 291.351 2.727 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NCCC[NH+]1CCCC1 ZINC000130725322 527336822 /nfs/dbraw/zinc/33/68/22/527336822.db2.gz FVKRWTKFQXNXER-UHFFFAOYSA-N 1 0 267.304 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn3ccccc23)cc1 ZINC000171509743 527346745 /nfs/dbraw/zinc/34/67/45/527346745.db2.gz YATIVNGTXRVHCY-UHFFFAOYSA-N 1 0 296.330 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000156346023 527349272 /nfs/dbraw/zinc/34/92/72/527349272.db2.gz UKBUEVGSKHIYEG-NEPJUHHUSA-N 1 0 295.770 2.575 20 5 CFBDRO CC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000425996148 527929960 /nfs/dbraw/zinc/92/99/60/527929960.db2.gz OHGAMOPEKPQGGB-UHFFFAOYSA-N 1 0 278.356 2.618 20 5 CFBDRO CC(C)c1ccc(CNCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414878365 528099655 /nfs/dbraw/zinc/09/96/55/528099655.db2.gz HGUAPEKHGBDDGB-UHFFFAOYSA-N 1 0 277.368 2.689 20 5 CFBDRO CC(C)C[C@@H](CN)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835154 528310230 /nfs/dbraw/zinc/31/02/30/528310230.db2.gz HEGMSVMQNCDWOP-HIFRSBDPSA-N 1 0 293.411 2.879 20 5 CFBDRO CCC[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423307947 528512251 /nfs/dbraw/zinc/51/22/51/528512251.db2.gz IILPBGVDOQBEFN-LBPRGKRZSA-N 1 0 265.357 2.553 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414531308 529183092 /nfs/dbraw/zinc/18/30/92/529183092.db2.gz RSNQUYWIRVAOPW-UKRRQHHQSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[C@@H](O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422081610 529231832 /nfs/dbraw/zinc/23/18/32/529231832.db2.gz CZEWKRFQBFHAOK-GFCCVEGCSA-N 1 0 266.341 2.579 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450387544 535086692 /nfs/dbraw/zinc/08/66/92/535086692.db2.gz GPGCIGNKFHRWGE-CYBMUJFWSA-N 1 0 292.383 2.770 20 5 CFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000355372268 535235959 /nfs/dbraw/zinc/23/59/59/535235959.db2.gz UYKCQLBHJOYWFO-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449756614 535754115 /nfs/dbraw/zinc/75/41/15/535754115.db2.gz PXJQPJYIVHOSNK-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449759355 535754966 /nfs/dbraw/zinc/75/49/66/535754966.db2.gz XYGCKOXJBIACNC-HUUCEWRRSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@](C)(C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449479756 535826562 /nfs/dbraw/zinc/82/65/62/535826562.db2.gz WCYVZRJKVRPFJF-SWLSCSKDSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+](C)C ZINC000731208501 574112745 /nfs/dbraw/zinc/11/27/45/574112745.db2.gz HTZJRXOBJOHGCV-MRVPVSSYSA-N 1 0 280.353 2.567 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[NH+](C)C)CC1 ZINC000747211303 574187371 /nfs/dbraw/zinc/18/73/71/574187371.db2.gz FBTABEAZNQXMRH-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000747223027 574187898 /nfs/dbraw/zinc/18/78/98/574187898.db2.gz IVAVPISPRYHJIP-VHSXEESVSA-N 1 0 297.330 2.637 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H]2C)c1 ZINC000756121061 574211389 /nfs/dbraw/zinc/21/13/89/574211389.db2.gz XLKUDFQBVTUGHG-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000740887911 574272836 /nfs/dbraw/zinc/27/28/36/574272836.db2.gz HTPHYAQSZATSRF-LLVKDONJSA-N 1 0 284.331 2.979 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000741256519 574284764 /nfs/dbraw/zinc/28/47/64/574284764.db2.gz OLQFKOXSSUECAY-NWANDNLSSA-N 1 0 290.363 2.806 20 5 CFBDRO CC1(O)CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000749290447 574288302 /nfs/dbraw/zinc/28/83/02/574288302.db2.gz FMCGQQISGGNNOP-XQRVVYSFSA-N 1 0 290.363 2.891 20 5 CFBDRO C[C@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673242 574304586 /nfs/dbraw/zinc/30/45/86/574304586.db2.gz SWUFIPUGCCVUDB-FZMZJTMJSA-N 1 0 280.368 2.995 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000749677660 574304592 /nfs/dbraw/zinc/30/45/92/574304592.db2.gz PZHUMIYWWGGXRQ-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000742428022 574329732 /nfs/dbraw/zinc/32/97/32/574329732.db2.gz YLUVTFWGUXCQNO-SNVBAGLBSA-N 1 0 267.304 2.630 20 5 CFBDRO CC(=O)c1ccc(NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742424966 574329744 /nfs/dbraw/zinc/32/97/44/574329744.db2.gz IBZBHKYURGDGEK-NSHDSACASA-N 1 0 291.351 2.694 20 5 CFBDRO C[C@@H]1C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076114 574387684 /nfs/dbraw/zinc/38/76/84/574387684.db2.gz NXAODWOARRKHNV-NXEZZACHSA-N 1 0 252.289 2.822 20 5 CFBDRO CCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000804795769 617884501 /nfs/dbraw/zinc/88/45/01/617884501.db2.gz YBWKCZIBDPDMSC-JTQLQIEISA-N 1 0 283.759 2.779 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(C)(C)OC ZINC000932371885 617696936 /nfs/dbraw/zinc/69/69/36/617696936.db2.gz BKPSUCLPSYJYRE-SNVBAGLBSA-N 1 0 282.340 2.507 20 5 CFBDRO C[C@H](O)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705888 617775680 /nfs/dbraw/zinc/77/56/80/617775680.db2.gz XBCKPNSNVHCWGE-QWRGUYRKSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934010368 617862881 /nfs/dbraw/zinc/86/28/81/617862881.db2.gz AWZFJVCUZQETSX-AWEZNQCLSA-N 1 0 296.342 2.765 20 5 CFBDRO CC(C)[N@H+](C)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440019 617920517 /nfs/dbraw/zinc/92/05/17/617920517.db2.gz DZPBZECWTSEXPW-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068629 617935463 /nfs/dbraw/zinc/93/54/63/617935463.db2.gz REMRCBVYBFDXRQ-PWSUYJOCSA-N 1 0 294.351 2.929 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000807983550 618033319 /nfs/dbraw/zinc/03/33/19/618033319.db2.gz PPANHDYAMOABJQ-ZYHUDNBSSA-N 1 0 291.351 2.692 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000050015768 618060149 /nfs/dbraw/zinc/06/01/49/618060149.db2.gz AYJLMOWPOXKXIZ-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCS[C@@H]2C)cccc1[N+](=O)[O-] ZINC000235604766 618123589 /nfs/dbraw/zinc/12/35/89/618123589.db2.gz BEVOVXHUUSTJRM-PWSUYJOCSA-N 1 0 266.366 2.887 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](OCC)C1 ZINC000932975654 618131531 /nfs/dbraw/zinc/13/15/31/618131531.db2.gz XSWRMFYFWQBFMP-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO CCCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CC ZINC000077435524 618136042 /nfs/dbraw/zinc/13/60/42/618136042.db2.gz XOIYQTCXNCZYBE-NSHDSACASA-N 1 0 254.334 2.649 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC000933210907 618170134 /nfs/dbraw/zinc/17/01/34/618170134.db2.gz YDVIOMJASBPGJM-INIZCTEOSA-N 1 0 290.363 2.638 20 5 CFBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000052926121 618204663 /nfs/dbraw/zinc/20/46/63/618204663.db2.gz UOTJGEOJJNULQT-UHFFFAOYSA-N 1 0 276.340 2.541 20 5 CFBDRO CCC[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892440462 618276009 /nfs/dbraw/zinc/27/60/09/618276009.db2.gz CKWMYJIYPFQPTE-SECBINFHSA-N 1 0 268.313 2.587 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000895183518 618445901 /nfs/dbraw/zinc/44/59/01/618445901.db2.gz ZHMDKKYATMQREO-SECBINFHSA-N 1 0 282.340 2.833 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(C)=NO1 ZINC000895303370 618524072 /nfs/dbraw/zinc/52/40/72/618524072.db2.gz GDHUIDRGPJLDAM-KDHUCADRSA-N 1 0 289.335 2.753 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCCC(C)C)c1[N+](=O)[O-] ZINC000892515464 618604597 /nfs/dbraw/zinc/60/45/97/618604597.db2.gz RYDCSTBTGYEVFF-UHFFFAOYSA-N 1 0 282.340 2.835 20 5 CFBDRO CCOC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783678905 618720880 /nfs/dbraw/zinc/72/08/80/618720880.db2.gz AAGSLGATSRWTSI-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587254 618931888 /nfs/dbraw/zinc/93/18/88/618931888.db2.gz VPEDVQLJDUGYOS-GYSYKLTISA-N 1 0 264.325 2.501 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587256 618932176 /nfs/dbraw/zinc/93/21/76/618932176.db2.gz VPEDVQLJDUGYOS-JTNHKYCSSA-N 1 0 264.325 2.501 20 5 CFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H](C)[NH2+]1 ZINC000111289708 619017111 /nfs/dbraw/zinc/01/71/11/619017111.db2.gz WAJKXGVXRURCOI-DTORHVGOSA-N 1 0 285.294 2.719 20 5 CFBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980385 619209964 /nfs/dbraw/zinc/20/99/64/619209964.db2.gz YKRNPQBOKATABF-ZYHUDNBSSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261787543 619266531 /nfs/dbraw/zinc/26/65/31/619266531.db2.gz FYHDHFNHOFMQCP-JQWIXIFHSA-N 1 0 297.786 2.807 20 5 CFBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000048391988 619330491 /nfs/dbraw/zinc/33/04/91/619330491.db2.gz JOYYDCRVXBIAAS-UHFFFAOYSA-N 1 0 274.324 2.776 20 5 CFBDRO Cc1ncoc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000894679615 619441556 /nfs/dbraw/zinc/44/15/56/619441556.db2.gz QMZHQDXAWYVLJY-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894924753 619514089 /nfs/dbraw/zinc/51/40/89/619514089.db2.gz AEPQUHAEPKFPMF-JTQLQIEISA-N 1 0 294.351 2.929 20 5 CFBDRO COc1c(O)ccc(CN2CC(CC3CC3)C2)c1[N+](=O)[O-] ZINC000895516551 619545624 /nfs/dbraw/zinc/54/56/24/619545624.db2.gz UQDVCFHBUWCORP-UHFFFAOYSA-N 1 0 292.335 2.541 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](CF)C1 ZINC000895575370 619558362 /nfs/dbraw/zinc/55/83/62/619558362.db2.gz SEVTXLFDFGYPTN-PYEVWLCESA-N 1 0 264.300 2.899 20 5 CFBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC000895734539 619596409 /nfs/dbraw/zinc/59/64/09/619596409.db2.gz OJBOLIZGUHERRL-ZWNOBZJWSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000895738450 619598160 /nfs/dbraw/zinc/59/81/60/619598160.db2.gz LQQVUILFJZHJJO-GWCFXTLKSA-N 1 0 286.335 2.648 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@]23C[C@H]2CCCC3)c1[N+](=O)[O-] ZINC000895754831 619600069 /nfs/dbraw/zinc/60/00/69/619600069.db2.gz ZSEOWHQQHOZWJM-IAQYHMDHSA-N 1 0 292.335 2.731 20 5 CFBDRO COC(OC)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895789987 619607492 /nfs/dbraw/zinc/60/74/92/619607492.db2.gz GPIPVPIFOZGIGZ-RYUDHWBXSA-N 1 0 296.367 2.513 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCCCC2CC2)c1[N+](=O)[O-] ZINC000895834810 619619815 /nfs/dbraw/zinc/61/98/15/619619815.db2.gz VPJXSPWYXOWZFI-UHFFFAOYSA-N 1 0 294.351 2.979 20 5 CFBDRO C=C/C=C/CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895995607 619652574 /nfs/dbraw/zinc/65/25/74/619652574.db2.gz KCPOFKZFSYYYPF-SNAWJCMRSA-N 1 0 278.308 2.531 20 5 CFBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000896257020 619704085 /nfs/dbraw/zinc/70/40/85/619704085.db2.gz ZALSHIKGKFXNQP-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@]34C[C@@H]3CCCC4)C2)c1 ZINC000896268047 619707268 /nfs/dbraw/zinc/70/72/68/619707268.db2.gz MRQQEFNOXCKZLM-LFUGVXIPSA-N 1 0 290.367 2.665 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000896511085 619747100 /nfs/dbraw/zinc/74/71/00/619747100.db2.gz TYOPRQQUJCPIBO-LLVKDONJSA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1ccc(N2CCC23CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000897132874 619937524 /nfs/dbraw/zinc/93/75/24/619937524.db2.gz CRRDYKHOWOVZDC-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000897435193 620159415 /nfs/dbraw/zinc/15/94/15/620159415.db2.gz IGRBEQPZSIUEBE-UHFFFAOYSA-N 1 0 278.356 2.521 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460116 620176421 /nfs/dbraw/zinc/17/64/21/620176421.db2.gz QCUIVKLMYGKNPK-IJLUTSLNSA-N 1 0 266.341 2.711 20 5 CFBDRO Cc1nc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000897461375 620176833 /nfs/dbraw/zinc/17/68/33/620176833.db2.gz NTBSZDBRXGHMPA-SNVBAGLBSA-N 1 0 288.351 2.828 20 5 CFBDRO COC[C@@H](C)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464878 620177075 /nfs/dbraw/zinc/17/70/75/620177075.db2.gz PSWCJCREHURWQE-RYUDHWBXSA-N 1 0 266.341 2.570 20 5 CFBDRO COC[C@@H](C)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464877 620177143 /nfs/dbraw/zinc/17/71/43/620177143.db2.gz PSWCJCREHURWQE-NWDGAFQWSA-N 1 0 266.341 2.570 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897465821 620177153 /nfs/dbraw/zinc/17/71/53/620177153.db2.gz ISGSUQPHOGBYQO-OLZOCXBDSA-N 1 0 278.352 2.857 20 5 CFBDRO COC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897466477 620177323 /nfs/dbraw/zinc/17/73/23/620177323.db2.gz VQAMTLPXMZPULT-BXUZGUMPSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000897469315 620178420 /nfs/dbraw/zinc/17/84/20/620178420.db2.gz IBUDEPSFGPHQCB-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCCC[C@H]2O)cs1 ZINC000897539093 620225615 /nfs/dbraw/zinc/22/56/15/620225615.db2.gz NDNKIHXAMHOEMV-VXGBXAGGSA-N 1 0 284.381 2.687 20 5 CFBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925314674 620254498 /nfs/dbraw/zinc/25/44/98/620254498.db2.gz UTOGVJPPYFKYOT-LSDHHAIUSA-N 1 0 278.352 2.746 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)CO1 ZINC000897780846 620284055 /nfs/dbraw/zinc/28/40/55/620284055.db2.gz ZTEFMFMDXJUREJ-VLRKGOCCSA-N 1 0 294.326 2.781 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897846719 620293138 /nfs/dbraw/zinc/29/31/38/620293138.db2.gz UVWRNTIHAIQUAE-HQRIPDKPSA-N 1 0 288.347 2.501 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000897957693 620311314 /nfs/dbraw/zinc/31/13/14/620311314.db2.gz DPESCLXTPOUQMG-ADEWGFFLSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564635 625416768 /nfs/dbraw/zinc/41/67/68/625416768.db2.gz IHMWMSLRODSRHI-SMDDNHRTSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898378040 620376591 /nfs/dbraw/zinc/37/65/91/620376591.db2.gz ZEMIIPBWYALNBJ-HUUCEWRRSA-N 1 0 290.363 2.726 20 5 CFBDRO CCOCCOCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000927089879 620451768 /nfs/dbraw/zinc/45/17/68/620451768.db2.gz IVGVAOZJMPXFLO-CYBMUJFWSA-N 1 0 296.367 2.607 20 5 CFBDRO O=[N+]([O-])c1ccccc1COc1ccc2c(c1)CC[NH2+]CC2 ZINC000899589552 620584480 /nfs/dbraw/zinc/58/44/80/620584480.db2.gz SLWXYDYEIFJTGJ-UHFFFAOYSA-N 1 0 298.342 2.862 20 5 CFBDRO COc1ccc(C2(C[NH2+]CC[N+](=O)[O-])CCCCC2)cc1 ZINC000899876170 620608407 /nfs/dbraw/zinc/60/84/07/620608407.db2.gz OFFQQLNTUKSIOI-UHFFFAOYSA-N 1 0 292.379 2.763 20 5 CFBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841072391 620927329 /nfs/dbraw/zinc/92/73/29/620927329.db2.gz JHVJTTYZDNLRET-ZDUSSCGKSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432727 621078161 /nfs/dbraw/zinc/07/81/61/621078161.db2.gz XAMDMSRMMSPFIP-KCQAQPDRSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000902445984 621083707 /nfs/dbraw/zinc/08/37/07/621083707.db2.gz NNYNBEYOTRIOER-FZMZJTMJSA-N 1 0 277.368 2.552 20 5 CFBDRO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902472468 621085202 /nfs/dbraw/zinc/08/52/02/621085202.db2.gz AKFDOPBWERVNBS-REBRKWNGSA-N 1 0 275.352 2.528 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC(C)C)cc([N+](=O)[O-])c1 ZINC000903055907 621235456 /nfs/dbraw/zinc/23/54/56/621235456.db2.gz NBLOHLWGPBSHNA-SNVBAGLBSA-N 1 0 252.314 2.910 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)N(C)C)cc([N+](=O)[O-])c1 ZINC000903056718 621236141 /nfs/dbraw/zinc/23/61/41/621236141.db2.gz YBOVTHHMRGRVBV-NSHDSACASA-N 1 0 295.383 2.594 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903111117 621257261 /nfs/dbraw/zinc/25/72/61/621257261.db2.gz UAMRTDLQHGIEFB-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C2CCC2)cc([N+](=O)[O-])c1 ZINC000903116607 621260448 /nfs/dbraw/zinc/26/04/48/621260448.db2.gz BRLCWDPCQQGTSY-SECBINFHSA-N 1 0 250.298 2.807 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCCF)cc([N+](=O)[O-])c1 ZINC000903125147 621261973 /nfs/dbraw/zinc/26/19/73/621261973.db2.gz KHEMKXTXLWEMOF-SECBINFHSA-N 1 0 256.277 2.614 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCC2(O)CCC2)cc([N+](=O)[O-])c1 ZINC000903165730 621272461 /nfs/dbraw/zinc/27/24/61/621272461.db2.gz OAXAYPZDMWRALR-NSHDSACASA-N 1 0 294.351 2.559 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H](CO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903172324 621274432 /nfs/dbraw/zinc/27/44/32/621274432.db2.gz YAJVAGHZYLTLSZ-WCQYABFASA-N 1 0 296.367 2.519 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903179104 621276232 /nfs/dbraw/zinc/27/62/32/621276232.db2.gz MPXROACUQKKDCV-QMTHXVAHSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903179218 621276444 /nfs/dbraw/zinc/27/64/44/621276444.db2.gz OFOLOBFCJUAXGU-GHMZBOCLSA-N 1 0 296.367 2.804 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903182748 621277296 /nfs/dbraw/zinc/27/72/96/621277296.db2.gz GISHQYRUKUSEKJ-ITDIGPHOSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903201180 621284085 /nfs/dbraw/zinc/28/40/85/621284085.db2.gz WTPHSAXLVMOOGW-PWSUYJOCSA-N 1 0 262.309 2.973 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903210132 621288862 /nfs/dbraw/zinc/28/88/62/621288862.db2.gz SYLOLXCQULHUFZ-JNIYBQFBSA-N 1 0 294.351 2.820 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000903246361 621294445 /nfs/dbraw/zinc/29/44/45/621294445.db2.gz TYIDPKYRCRLSFG-MNOVXSKESA-N 1 0 274.324 2.772 20 5 CFBDRO Cc1nonc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245225 621296484 /nfs/dbraw/zinc/29/64/84/621296484.db2.gz KQMUHSQLYMLHMP-VHSXEESVSA-N 1 0 290.323 2.741 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903253416 621299876 /nfs/dbraw/zinc/29/98/76/621299876.db2.gz JYUZMZICAZDUEU-KCLTYARCSA-N 1 0 275.352 2.872 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903411468 621365435 /nfs/dbraw/zinc/36/54/35/621365435.db2.gz OJQYNXLIWFNSBQ-TVQRCGJNSA-N 1 0 282.315 2.546 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000903437925 621375284 /nfs/dbraw/zinc/37/52/84/621375284.db2.gz RJNBBMKLDDDQSX-KNXALSJPSA-N 1 0 290.363 2.979 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000903437924 621375430 /nfs/dbraw/zinc/37/54/30/621375430.db2.gz RJNBBMKLDDDQSX-IUIKQTSFSA-N 1 0 290.363 2.979 20 5 CFBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000903470250 621389343 /nfs/dbraw/zinc/38/93/43/621389343.db2.gz IVOUFQABXIFIPS-SMDDNHRTSA-N 1 0 275.352 2.530 20 5 CFBDRO C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988027 621499445 /nfs/dbraw/zinc/49/94/45/621499445.db2.gz MSBCVIYAKMJYLS-OBJOEFQTSA-N 1 0 277.368 2.776 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC000924800604 621628942 /nfs/dbraw/zinc/62/89/42/621628942.db2.gz ZLHOZOMCNNUDBE-QWRGUYRKSA-N 1 0 272.308 2.797 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000905101590 621699674 /nfs/dbraw/zinc/69/96/74/621699674.db2.gz MBFYIWHTZVZCIB-UHFFFAOYSA-N 1 0 262.353 2.827 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832778063 625513110 /nfs/dbraw/zinc/51/31/10/625513110.db2.gz GWKYORHWIXKUKS-CYBMUJFWSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[N+](=O)[O-] ZINC000905186363 621713255 /nfs/dbraw/zinc/71/32/55/621713255.db2.gz AGAXLXHTINFJMU-MRVPVSSYSA-N 1 0 277.151 2.791 20 5 CFBDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905199935 621722095 /nfs/dbraw/zinc/72/20/95/621722095.db2.gz DDXAKQGOTFMZOG-SECBINFHSA-N 1 0 276.258 2.503 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000905608485 621796486 /nfs/dbraw/zinc/79/64/86/621796486.db2.gz MUWZBUYZWWNAMH-QKCSRTOESA-N 1 0 296.392 2.502 20 5 CFBDRO C[C@H]([NH2+]CCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000224010159 622996994 /nfs/dbraw/zinc/99/69/94/622996994.db2.gz AKCIUJMLEJABIT-LBPRGKRZSA-N 1 0 266.341 2.798 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000224427826 623003872 /nfs/dbraw/zinc/00/38/72/623003872.db2.gz LVTACBFRRPMUOU-LEWSCRJBSA-N 1 0 264.325 2.813 20 5 CFBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000225511882 623043390 /nfs/dbraw/zinc/04/33/90/623043390.db2.gz VDCWFWGLAZUZLN-NWDGAFQWSA-N 1 0 266.366 2.969 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000226112952 623058308 /nfs/dbraw/zinc/05/83/08/623058308.db2.gz FIPANPMGLIPJGW-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000226095919 623058353 /nfs/dbraw/zinc/05/83/53/623058353.db2.gz WVJNSENPFDEACQ-ZDUSSCGKSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCC[NH2+]2)n1 ZINC000822808466 623179167 /nfs/dbraw/zinc/17/91/67/623179167.db2.gz UTHCPJFHCRALNH-GFCCVEGCSA-N 1 0 288.307 2.768 20 5 CFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000171640083 623235701 /nfs/dbraw/zinc/23/57/01/623235701.db2.gz TVGAJAIBMQKWLX-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230697854 623292375 /nfs/dbraw/zinc/29/23/75/623292375.db2.gz LDDBNZXIWYQHOY-DGCLKSJQSA-N 1 0 266.366 2.969 20 5 CFBDRO Cc1c(C[NH2+]CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000063100167 623322504 /nfs/dbraw/zinc/32/25/04/623322504.db2.gz CJRQHUCQDCXUBW-UHFFFAOYSA-N 1 0 262.231 2.945 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000173901506 623371854 /nfs/dbraw/zinc/37/18/54/623371854.db2.gz BHIISJGMOYXQCV-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO CCn1cc[nH+]c1NCc1cccc([N+](=O)[O-])c1C ZINC000231868964 623373038 /nfs/dbraw/zinc/37/30/38/623373038.db2.gz QBTJHAGQUWQVCF-UHFFFAOYSA-N 1 0 260.297 2.732 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](C(F)F)C1 ZINC000761107766 623721179 /nfs/dbraw/zinc/72/11/79/623721179.db2.gz HNHFSMRIXDJETE-QMMMGPOBSA-N 1 0 274.242 2.821 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914433158 623847333 /nfs/dbraw/zinc/84/73/33/623847333.db2.gz LAWNDWHKPWURAQ-CHWSQXEVSA-N 1 0 296.754 2.763 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CO1 ZINC000826796840 623876823 /nfs/dbraw/zinc/87/68/23/623876823.db2.gz NBXGKQKKRPFHMK-SNVBAGLBSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(C)CO ZINC000827698726 624069635 /nfs/dbraw/zinc/06/96/35/624069635.db2.gz BNCCJTOSGRBCDT-IINYFYTJSA-N 1 0 298.770 2.699 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000919371287 624564108 /nfs/dbraw/zinc/56/41/08/624564108.db2.gz DEQDZRNFRRKCMQ-LLVKDONJSA-N 1 0 298.364 2.688 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000831527668 625041625 /nfs/dbraw/zinc/04/16/25/625041625.db2.gz GRRHHZPBEXGWEA-HZMBPMFUSA-N 1 0 282.315 2.591 20 5 CFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000832084865 625220084 /nfs/dbraw/zinc/22/00/84/625220084.db2.gz OCMCBPWGGWBCNA-ZDUSSCGKSA-N 1 0 298.358 2.963 20 5 CFBDRO CC[N@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000069797401 625223793 /nfs/dbraw/zinc/22/37/93/625223793.db2.gz CLAZMCPNOJABKQ-UHFFFAOYSA-N 1 0 274.324 2.634 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccn1 ZINC000834860454 625904578 /nfs/dbraw/zinc/90/45/78/625904578.db2.gz RRNUCRNBIZISCE-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO CCn1cncc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537385 626304660 /nfs/dbraw/zinc/30/46/60/626304660.db2.gz DWSPDKAQXYQNKX-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922540147 626306417 /nfs/dbraw/zinc/30/64/17/626306417.db2.gz GTSZNSWBSMRUEB-LLVKDONJSA-N 1 0 286.335 2.588 20 5 CFBDRO Cc1c(C[NH2+]C[C@@]2(C)CCCCO2)cccc1[N+](=O)[O-] ZINC000922819510 626373651 /nfs/dbraw/zinc/37/36/51/626373651.db2.gz XWFRESPRBKSHQD-OAHLLOKOSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000922843661 626378704 /nfs/dbraw/zinc/37/87/04/626378704.db2.gz UQMIBTVHGUHEJP-PWSUYJOCSA-N 1 0 266.366 2.969 20 5 CFBDRO CSCC[C@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886068370 626482898 /nfs/dbraw/zinc/48/28/98/626482898.db2.gz WTSRELBTOMNMOK-JTQLQIEISA-N 1 0 269.370 2.563 20 5 CFBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839512166 626538410 /nfs/dbraw/zinc/53/84/10/626538410.db2.gz JMLRIXWNJQFDCQ-VIFPVBQESA-N 1 0 299.758 2.917 20 5 CFBDRO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294120 626821918 /nfs/dbraw/zinc/82/19/18/626821918.db2.gz YPUHPRPVBJMURX-GHMZBOCLSA-N 1 0 288.351 2.798 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccnn1C ZINC000762790434 626937684 /nfs/dbraw/zinc/93/76/84/626937684.db2.gz ZTTHPCKNVGWOIF-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763672805 627004286 /nfs/dbraw/zinc/00/42/86/627004286.db2.gz CIBDVBXDRSRNAF-CABZTGNLSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062304 627117028 /nfs/dbraw/zinc/11/70/28/627117028.db2.gz RDWQQCYBUFZVHH-CMPLNLGQSA-N 1 0 288.351 2.941 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765338132 627131895 /nfs/dbraw/zinc/13/18/95/627131895.db2.gz VMYADTOENDFLEF-CHWSQXEVSA-N 1 0 289.379 2.809 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000765643668 627152476 /nfs/dbraw/zinc/15/24/76/627152476.db2.gz RDYFRJUDMVWPQO-QWRGUYRKSA-N 1 0 281.331 2.653 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766252496 627187720 /nfs/dbraw/zinc/18/77/20/627187720.db2.gz GEXXDDUWDHTNFV-NEPJUHHUSA-N 1 0 295.358 2.648 20 5 CFBDRO O=C(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000767417381 627248911 /nfs/dbraw/zinc/24/89/11/627248911.db2.gz KHJKRERRBZAEAV-UHFFFAOYSA-N 1 0 288.347 2.928 20 5 CFBDRO CO[C@H]1CC[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869958 634565792 /nfs/dbraw/zinc/56/57/92/634565792.db2.gz WOJDZTGCIGPNBA-STQMWFEESA-N 1 0 276.336 2.520 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000770702389 627543320 /nfs/dbraw/zinc/54/33/20/627543320.db2.gz YPWYBMMHTWANEX-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000771234497 627586916 /nfs/dbraw/zinc/58/69/16/627586916.db2.gz SBNRKSCUVFRCLE-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO CC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000775386055 628017708 /nfs/dbraw/zinc/01/77/08/628017708.db2.gz CNABBVVSZNEMPQ-HNNXBMFYSA-N 1 0 288.351 2.706 20 5 CFBDRO CC(C)C([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000776025838 628094963 /nfs/dbraw/zinc/09/49/63/628094963.db2.gz CTHLDAQPRHCMRE-AWEZNQCLSA-N 1 0 280.368 2.898 20 5 CFBDRO CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000776272285 628125096 /nfs/dbraw/zinc/12/50/96/628125096.db2.gz SMCBPIBHEUBVHL-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO CCC[C@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273907 628125177 /nfs/dbraw/zinc/12/51/77/628125177.db2.gz BJGFAQLKQSXAPG-FZMZJTMJSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580598 628160622 /nfs/dbraw/zinc/16/06/22/628160622.db2.gz WVXBYBAHNOWVII-IUODEOHRSA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776591360 628162486 /nfs/dbraw/zinc/16/24/86/628162486.db2.gz LNLXTMUWZWSCFJ-HNNXBMFYSA-N 1 0 278.352 2.891 20 5 CFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860968 628415231 /nfs/dbraw/zinc/41/52/31/628415231.db2.gz LKMVCCWAFZAZGY-AAEUAGOBSA-N 1 0 280.372 2.958 20 5 CFBDRO Cc1nn(CN2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779868243 628415480 /nfs/dbraw/zinc/41/54/80/628415480.db2.gz XIBQBYCIUDLGNB-UHFFFAOYSA-N 1 0 278.356 2.735 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781980253 628594714 /nfs/dbraw/zinc/59/47/14/628594714.db2.gz FFQHFJLIVAFYIU-HOCLYGCPSA-N 1 0 292.379 2.996 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)c1 ZINC000782395538 628634998 /nfs/dbraw/zinc/63/49/98/628634998.db2.gz XYSLKILDTBGBET-UHFFFAOYSA-N 1 0 297.330 2.639 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCO)CC2)cc1Cl ZINC000783680047 628734171 /nfs/dbraw/zinc/73/41/71/628734171.db2.gz OJIZDBYIKSWDLV-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000784390500 628813228 /nfs/dbraw/zinc/81/32/28/628813228.db2.gz HLWXSAZNIAEKKM-CJNGLKHVSA-N 1 0 290.363 2.916 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CC(C)C ZINC000786811964 628980216 /nfs/dbraw/zinc/98/02/16/628980216.db2.gz FPBOKONWRQVYOH-OIQJVACTSA-N 1 0 292.379 2.995 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000786820535 628980680 /nfs/dbraw/zinc/98/06/80/628980680.db2.gz ZDQQHBIBRAADLE-UHFFFAOYSA-N 1 0 299.346 2.521 20 5 CFBDRO Cc1c(COC(=O)[C@@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000787960200 629044124 /nfs/dbraw/zinc/04/41/24/629044124.db2.gz HOTUKEHNSBKRCC-CQSZACIVSA-N 1 0 294.351 2.533 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622538 629088082 /nfs/dbraw/zinc/08/80/82/629088082.db2.gz CAXHVWDDANZBMM-KOLCDFICSA-N 1 0 281.381 2.723 20 5 CFBDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788685670 629092518 /nfs/dbraw/zinc/09/25/18/629092518.db2.gz JNJRWODXCYKJBU-MXWKQRLJSA-N 1 0 293.367 2.784 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789566844 629166831 /nfs/dbraw/zinc/16/68/31/629166831.db2.gz OLCIJHCOXQVGOT-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO CC(C)[N@H+](CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791053717 629284090 /nfs/dbraw/zinc/28/40/90/629284090.db2.gz NJXQGMRFOZMHRR-UHFFFAOYSA-N 1 0 256.733 2.827 20 5 CFBDRO C[NH+](C)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791408043 629310699 /nfs/dbraw/zinc/31/06/99/629310699.db2.gz QASGXRIDLCUDOC-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852461004 634750025 /nfs/dbraw/zinc/75/00/25/634750025.db2.gz SKPXCCGJMLAIER-GASCZTMLSA-N 1 0 294.326 2.592 20 5 CFBDRO Cc1ccoc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795169338 629742095 /nfs/dbraw/zinc/74/20/95/629742095.db2.gz NIDJCGQFBOGVBX-CQSZACIVSA-N 1 0 290.319 2.662 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000796514499 629929369 /nfs/dbraw/zinc/92/93/69/629929369.db2.gz DEBBOMVDHYPDED-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO C[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797126945 630022593 /nfs/dbraw/zinc/02/25/93/630022593.db2.gz CNTVPGZSKLCKRM-MLGOLLRUSA-N 1 0 289.379 2.952 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000798405045 630187621 /nfs/dbraw/zinc/18/76/21/630187621.db2.gz WPGILZMRGDMEMQ-UHFFFAOYSA-N 1 0 281.331 2.656 20 5 CFBDRO CC(C)[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000798819831 630242524 /nfs/dbraw/zinc/24/25/24/630242524.db2.gz KYQOTYYDQVAHEK-SMDDNHRTSA-N 1 0 294.351 2.785 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800851065 630411070 /nfs/dbraw/zinc/41/10/70/630411070.db2.gz XBIZMOYWNQRBHW-VXGBXAGGSA-N 1 0 292.383 2.852 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1F ZINC000801520916 630452343 /nfs/dbraw/zinc/45/23/43/630452343.db2.gz KLHACFIEIHCQLK-JSGCOSHPSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546370 630456768 /nfs/dbraw/zinc/45/67/68/630456768.db2.gz KSOWMPDWERWFJZ-IAQYHMDHSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546372 630456865 /nfs/dbraw/zinc/45/68/65/630456865.db2.gz KSOWMPDWERWFJZ-XHDPSFHLSA-N 1 0 296.342 2.717 20 5 CFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000803458893 630619938 /nfs/dbraw/zinc/61/99/38/630619938.db2.gz ORAKKIZIPXAWIT-UHFFFAOYSA-N 1 0 298.314 2.541 20 5 CFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804442691 630682026 /nfs/dbraw/zinc/68/20/26/630682026.db2.gz JTQKVDLCGKSBIX-RYUDHWBXSA-N 1 0 292.383 2.852 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](C2CCC2)CC1 ZINC000804453317 630682859 /nfs/dbraw/zinc/68/28/59/630682859.db2.gz DWQVCSSYBHLKTL-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000804504686 630688796 /nfs/dbraw/zinc/68/87/96/630688796.db2.gz QZPVVFIRVKOFRC-ZYHUDNBSSA-N 1 0 291.351 2.692 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000804504684 630688881 /nfs/dbraw/zinc/68/88/81/630688881.db2.gz QZPVVFIRVKOFRC-JQWIXIFHSA-N 1 0 291.351 2.692 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)CC[NH+](C)C ZINC000807945673 630925389 /nfs/dbraw/zinc/92/53/89/630925389.db2.gz RTZRORVAUXNHRY-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000041677319 649991930 /nfs/dbraw/zinc/99/19/30/649991930.db2.gz GOCDWKYSYBAJMD-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840872240 631247540 /nfs/dbraw/zinc/24/75/40/631247540.db2.gz IOLJOHUNAGIQBP-MPPDQPJWSA-N 1 0 293.367 2.641 20 5 CFBDRO COc1ccc(CNc2[nH+]ccn2C2CC2)cc1[N+](=O)[O-] ZINC000840887599 631252259 /nfs/dbraw/zinc/25/22/59/631252259.db2.gz PJFOXYQEWYLAEV-UHFFFAOYSA-N 1 0 288.307 2.747 20 5 CFBDRO CN(CCC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809729214 631272504 /nfs/dbraw/zinc/27/25/04/631272504.db2.gz BGUDNENXLKXCRF-UHFFFAOYSA-N 1 0 285.775 2.632 20 5 CFBDRO C[C@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000841057434 631324273 /nfs/dbraw/zinc/32/42/73/631324273.db2.gz MPPQGSNMINFSEO-AWEZNQCLSA-N 1 0 297.786 2.728 20 5 CFBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000841086179 631334004 /nfs/dbraw/zinc/33/40/04/631334004.db2.gz FOTYGFMCCCFPIO-ZDUSSCGKSA-N 1 0 297.786 2.855 20 5 CFBDRO CC(C)(C)[C@@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841088121 631337417 /nfs/dbraw/zinc/33/74/17/631337417.db2.gz YCMLPUASUPZTCX-GFCCVEGCSA-N 1 0 285.775 2.711 20 5 CFBDRO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@H]1C ZINC000841691354 631453127 /nfs/dbraw/zinc/45/31/27/631453127.db2.gz CHUFVZXUFDXXOW-WOPDTQHZSA-N 1 0 288.351 2.878 20 5 CFBDRO CCC[NH+]1CCC(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000811788102 631622647 /nfs/dbraw/zinc/62/26/47/631622647.db2.gz ZIMKDPCIJHNPHT-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811803261 631623621 /nfs/dbraw/zinc/62/36/21/631623621.db2.gz KBTDUOQKWNHFAE-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000842576672 631667999 /nfs/dbraw/zinc/66/79/99/631667999.db2.gz IECDZDCOCJKYGJ-SSDOTTSWSA-N 1 0 296.714 2.621 20 5 CFBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000843052918 631817875 /nfs/dbraw/zinc/81/78/75/631817875.db2.gz OSSFNLFXEIPPEY-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815573326 632289895 /nfs/dbraw/zinc/28/98/95/632289895.db2.gz GICLXRFGHBQNRL-JTQLQIEISA-N 1 0 287.319 2.733 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815587890 632293283 /nfs/dbraw/zinc/29/32/83/632293283.db2.gz WTRHKUWHUKMJAI-OWYVNGRQSA-N 1 0 293.367 2.641 20 5 CFBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815607303 632296695 /nfs/dbraw/zinc/29/66/95/632296695.db2.gz VTLMDTGNVDXUQY-SECBINFHSA-N 1 0 261.325 2.770 20 5 CFBDRO CC(C)SCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625541 632300964 /nfs/dbraw/zinc/30/09/64/632300964.db2.gz GOVHBCRYMUCFHB-SNVBAGLBSA-N 1 0 283.397 2.969 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000816660796 632507350 /nfs/dbraw/zinc/50/73/50/632507350.db2.gz PSFNENNIJAXGRP-GFCCVEGCSA-N 1 0 297.786 2.774 20 5 CFBDRO C[NH2+]C1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCC1 ZINC000856763118 635849572 /nfs/dbraw/zinc/84/95/72/635849572.db2.gz ZXPIHDYTROJYHF-UHFFFAOYSA-N 1 0 292.364 2.759 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cccs2)c1 ZINC000818942613 632911334 /nfs/dbraw/zinc/91/13/34/632911334.db2.gz MGJXLXLITDCATJ-CQSZACIVSA-N 1 0 292.360 2.522 20 5 CFBDRO CCC[C@@H](CC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818983446 632922108 /nfs/dbraw/zinc/92/21/08/632922108.db2.gz IKNUPMDAHYNSSY-OCCSQVGLSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)=CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819259315 633043003 /nfs/dbraw/zinc/04/30/03/633043003.db2.gz GQYRJDDUVGGURP-AWEZNQCLSA-N 1 0 264.325 2.574 20 5 CFBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819364467 633132978 /nfs/dbraw/zinc/13/29/78/633132978.db2.gz XIWHDRMSEAPKSP-BPLDGKMQSA-N 1 0 278.352 2.652 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848786263 633343160 /nfs/dbraw/zinc/34/31/60/633343160.db2.gz PXERXYGCOAVPAG-JSGCOSHPSA-N 1 0 290.367 2.606 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000848785627 633343301 /nfs/dbraw/zinc/34/33/01/633343301.db2.gz NMKRIOBZRGYUEJ-QWHCGFSZSA-N 1 0 290.367 2.727 20 5 CFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000857226345 635953041 /nfs/dbraw/zinc/95/30/41/635953041.db2.gz LBYOMGIVDZNIHL-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO CCSC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000853113888 634910703 /nfs/dbraw/zinc/91/07/03/634910703.db2.gz MEOWMMOGRJBRQX-ZDUSSCGKSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H]4C[C@H]4C3)c2)cc1 ZINC000853575223 635039337 /nfs/dbraw/zinc/03/93/37/635039337.db2.gz CCINFBMZRQEAPM-KBPBESRZSA-N 1 0 298.346 2.758 20 5 CFBDRO Cc1cscc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158663912 650233629 /nfs/dbraw/zinc/23/36/29/650233629.db2.gz YGKPMCJMCXHGHO-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858485367 636268009 /nfs/dbraw/zinc/26/80/09/636268009.db2.gz LUVHWMWCPXALIN-WCQYABFASA-N 1 0 295.383 2.625 20 5 CFBDRO CCC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000049084353 650288005 /nfs/dbraw/zinc/28/80/05/650288005.db2.gz JUPKFDQVNZEANA-DZGCQCFKSA-N 1 0 277.368 2.730 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(C)COC1 ZINC000862477842 637395855 /nfs/dbraw/zinc/39/58/55/637395855.db2.gz SFZYSTOXWVTNMR-UHFFFAOYSA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000076667810 650396540 /nfs/dbraw/zinc/39/65/40/650396540.db2.gz JHFKPAQJKSQANH-CQSZACIVSA-N 1 0 287.363 2.826 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC000076667807 650396798 /nfs/dbraw/zinc/39/67/98/650396798.db2.gz JHFKPAQJKSQANH-AWEZNQCLSA-N 1 0 287.363 2.826 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000865699656 638523630 /nfs/dbraw/zinc/52/36/30/638523630.db2.gz YHZWGCDPLOKZRN-NWDGAFQWSA-N 1 0 282.315 2.974 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865761787 638558742 /nfs/dbraw/zinc/55/87/42/638558742.db2.gz QSJPRJDAYFSHBM-GDBMZVCRSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000865838814 638603956 /nfs/dbraw/zinc/60/39/56/638603956.db2.gz CVTVJGLFCMEMJW-PZBABLGHSA-N 1 0 286.335 2.692 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000866055138 638716709 /nfs/dbraw/zinc/71/67/09/638716709.db2.gz PAPNBABCMKJOMV-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO CC(C)[NH+]1CCC(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000866084971 638730261 /nfs/dbraw/zinc/73/02/61/638730261.db2.gz LBKLZNVHFWZXFT-UHFFFAOYSA-N 1 0 292.383 2.912 20 5 CFBDRO COc1cccc(N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866113268 638744142 /nfs/dbraw/zinc/74/41/42/638744142.db2.gz XKWCFUVZBMDKEO-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866240885 638778309 /nfs/dbraw/zinc/77/83/09/638778309.db2.gz PKOYQWHIHNEHGG-RISCZKNCSA-N 1 0 298.358 2.662 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265032 638783800 /nfs/dbraw/zinc/78/38/00/638783800.db2.gz HOJPQEVUJPEOOG-NHYWBVRUSA-N 1 0 298.358 2.806 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866281554 638788519 /nfs/dbraw/zinc/78/85/19/638788519.db2.gz RCHMWLMSNXJDKB-NEPJUHHUSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC1 ZINC000866294735 638790710 /nfs/dbraw/zinc/79/07/10/638790710.db2.gz VORDYYUULQXWTQ-VIFPVBQESA-N 1 0 252.289 2.807 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866312988 638795664 /nfs/dbraw/zinc/79/56/64/638795664.db2.gz TWBICZRXGYZSGN-NEPJUHHUSA-N 1 0 298.358 2.663 20 5 CFBDRO CC(C)OCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866337888 638798585 /nfs/dbraw/zinc/79/85/85/638798585.db2.gz MGDSGAURWXVOLO-NSHDSACASA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC[C@@H]1C ZINC000866348901 638801276 /nfs/dbraw/zinc/80/12/76/638801276.db2.gz UCHXGECZLQWERV-WDMOLILDSA-N 1 0 296.342 2.680 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866360592 638804069 /nfs/dbraw/zinc/80/40/69/638804069.db2.gz FCBQXRPWZGWUOS-GMTAPVOTSA-N 1 0 284.331 2.678 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000866362418 638804322 /nfs/dbraw/zinc/80/43/22/638804322.db2.gz BIUCUXAOEMOTAF-YGRLFVJLSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCCCO ZINC000866362781 638804357 /nfs/dbraw/zinc/80/43/57/638804357.db2.gz DHFMBKJRZBLLJG-NWDGAFQWSA-N 1 0 298.358 2.806 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866365291 638805508 /nfs/dbraw/zinc/80/55/08/638805508.db2.gz SHFVBEVDFLPPBB-NSHDSACASA-N 1 0 298.358 2.927 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866370627 638807405 /nfs/dbraw/zinc/80/74/05/638807405.db2.gz YRBLNQSKKYEHFD-LEWSCRJBSA-N 1 0 296.342 2.822 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])COC1 ZINC000866372306 638807696 /nfs/dbraw/zinc/80/76/96/638807696.db2.gz QZYMPQPYNMPPQB-NSHDSACASA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC2 ZINC000866379555 638809679 /nfs/dbraw/zinc/80/96/79/638809679.db2.gz PVZXYXQNGOMIMC-TVQRCGJNSA-N 1 0 264.300 2.807 20 5 CFBDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc([N+](=O)[O-])c1 ZINC000866447459 638823723 /nfs/dbraw/zinc/82/37/23/638823723.db2.gz JHNHEDZHSGPHPF-FPWZVUCASA-N 1 0 288.347 2.669 20 5 CFBDRO COCCC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866539273 638838830 /nfs/dbraw/zinc/83/88/30/638838830.db2.gz AUHYUVOIJKRQNC-GFCCVEGCSA-N 1 0 266.341 2.808 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000866613052 638854957 /nfs/dbraw/zinc/85/49/57/638854957.db2.gz DZAGUQGRCZPTGN-MFKMUULPSA-N 1 0 286.335 2.666 20 5 CFBDRO CC[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122885643 639500032 /nfs/dbraw/zinc/50/00/32/639500032.db2.gz NXRRRTJRWGAHIY-MFKMUULPSA-N 1 0 297.786 2.807 20 5 CFBDRO Cc1nn(C[N@@H+](C)C2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000193394472 650650386 /nfs/dbraw/zinc/65/03/86/650650386.db2.gz OZAQSZLZMAJCDH-UHFFFAOYSA-N 1 0 280.372 2.876 20 5 CFBDRO Cc1c(CNc2cc(N(C)C)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000871862587 641487520 /nfs/dbraw/zinc/48/75/20/641487520.db2.gz GAHLJQHDTMYCNO-UHFFFAOYSA-N 1 0 286.335 2.976 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015945 641546903 /nfs/dbraw/zinc/54/69/03/641546903.db2.gz AOAZZHFMBODADQ-JTQLQIEISA-N 1 0 270.304 2.811 20 5 CFBDRO COCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016343 641547924 /nfs/dbraw/zinc/54/79/24/641547924.db2.gz ISSYHWLMAUXQBR-VIFPVBQESA-N 1 0 270.354 2.614 20 5 CFBDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016353 641548210 /nfs/dbraw/zinc/54/82/10/641548210.db2.gz JFHIEKATPHRQDN-VHSXEESVSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024945 641556415 /nfs/dbraw/zinc/55/64/15/641556415.db2.gz XPBKUJZQYPDIAV-GHMZBOCLSA-N 1 0 282.315 2.811 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030462 641560905 /nfs/dbraw/zinc/56/09/05/641560905.db2.gz FWBVPSXJSXYADC-NXEZZACHSA-N 1 0 270.304 2.810 20 5 CFBDRO CC[N@H+](CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872031689 641562009 /nfs/dbraw/zinc/56/20/09/641562009.db2.gz SVTXZGQCEZMICV-LLVKDONJSA-N 1 0 295.358 2.869 20 5 CFBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035996 641568170 /nfs/dbraw/zinc/56/81/70/641568170.db2.gz OTUWIZRHBYEEIK-OTYXRUKQSA-N 1 0 282.315 2.546 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CCO ZINC000872039291 641572945 /nfs/dbraw/zinc/57/29/45/641572945.db2.gz FMFIDQFEINMKBX-MNOVXSKESA-N 1 0 298.408 2.986 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000872042107 641576594 /nfs/dbraw/zinc/57/65/94/641576594.db2.gz NEFSIVAJICPGMT-GXFFZTMASA-N 1 0 298.408 2.984 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872051069 641585140 /nfs/dbraw/zinc/58/51/40/641585140.db2.gz FODXQXLAIJBXAG-JOYOIKCWSA-N 1 0 282.315 2.810 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872051070 641585217 /nfs/dbraw/zinc/58/52/17/641585217.db2.gz FODXQXLAIJBXAG-SKDRFNHKSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053509 641588481 /nfs/dbraw/zinc/58/84/81/641588481.db2.gz KQUFVMBVHKJLBV-VWYCJHECSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872053573 641588571 /nfs/dbraw/zinc/58/85/71/641588571.db2.gz YLKHPNQTEKXVJR-WDEREUQCSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872063939 641595486 /nfs/dbraw/zinc/59/54/86/641595486.db2.gz ALFVRHHRRXWFPF-GAFUQQFSSA-N 1 0 282.315 2.688 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069060 641599667 /nfs/dbraw/zinc/59/96/67/641599667.db2.gz LNPWCXNAAYVRRY-CMPLNLGQSA-N 1 0 296.342 2.936 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872078096 641610213 /nfs/dbraw/zinc/61/02/13/641610213.db2.gz DWWHFDLBEGBCIC-MXWKQRLJSA-N 1 0 282.315 2.952 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C/CO ZINC000872086845 641620009 /nfs/dbraw/zinc/62/00/09/641620009.db2.gz YJGKCHPIYYWQKF-FSIBCCDJSA-N 1 0 282.365 2.516 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000872090027 641623676 /nfs/dbraw/zinc/62/36/76/641623676.db2.gz KAJOACAQXDUBJL-JBLDHEPKSA-N 1 0 296.392 2.738 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094063 641625725 /nfs/dbraw/zinc/62/57/25/641625725.db2.gz YQDDVRMNOLWOBD-GHMZBOCLSA-N 1 0 284.331 2.936 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000872231267 641710813 /nfs/dbraw/zinc/71/08/13/641710813.db2.gz GIKGNRROQMPLGZ-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000872779612 641933171 /nfs/dbraw/zinc/93/31/71/641933171.db2.gz HFSWPQNVKDPZEN-GJZGRUSLSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1ccco1 ZINC000873011219 641984430 /nfs/dbraw/zinc/98/44/30/641984430.db2.gz TVROADBWJVPNFW-CQSZACIVSA-N 1 0 290.319 2.628 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873051866 641996848 /nfs/dbraw/zinc/99/68/48/641996848.db2.gz PEIDBQLPYJMSET-HNNXBMFYSA-N 1 0 280.368 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CCCO1 ZINC000873075441 642005347 /nfs/dbraw/zinc/00/53/47/642005347.db2.gz XRBUAKDNCAJROB-OAHLLOKOSA-N 1 0 278.352 2.870 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CCCO1 ZINC000873075440 642005764 /nfs/dbraw/zinc/00/57/64/642005764.db2.gz XRBUAKDNCAJROB-HNNXBMFYSA-N 1 0 278.352 2.870 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000873098267 642012745 /nfs/dbraw/zinc/01/27/45/642012745.db2.gz FGJAHECRFALTRH-WCQYABFASA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000873130265 642022372 /nfs/dbraw/zinc/02/23/72/642022372.db2.gz CLHZYUYULNQDRZ-DGCLKSJQSA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1c(C[NH2+]CC2(CF)CCOCC2)cccc1[N+](=O)[O-] ZINC000873130320 642022412 /nfs/dbraw/zinc/02/24/12/642022412.db2.gz AXGWZSAZVAWERI-UHFFFAOYSA-N 1 0 296.342 2.759 20 5 CFBDRO Cc1c(C[NH2+]CC[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000873140364 642028773 /nfs/dbraw/zinc/02/87/73/642028773.db2.gz NOXDPSUJHHAHNC-ZDUSSCGKSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1c(C[NH2+][C@H](CO)CCC(C)C)cccc1[N+](=O)[O-] ZINC000873142695 642028842 /nfs/dbraw/zinc/02/88/42/642028842.db2.gz UTQHVAPQNFHCHO-AWEZNQCLSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000124752945 642310373 /nfs/dbraw/zinc/31/03/73/642310373.db2.gz MFUILFSVRNIKSM-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000125188988 642535193 /nfs/dbraw/zinc/53/51/93/642535193.db2.gz KNGWMKDLOQQTPF-FZMZJTMJSA-N 1 0 290.319 2.880 20 5 CFBDRO COCCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876644764 642956430 /nfs/dbraw/zinc/95/64/30/642956430.db2.gz HKXIRRSUIJPORT-UHFFFAOYSA-N 1 0 266.341 2.680 20 5 CFBDRO Cc1cccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000876910927 643061176 /nfs/dbraw/zinc/06/11/76/643061176.db2.gz PVIANLCJMSKLKK-UHFFFAOYSA-N 1 0 286.335 2.593 20 5 CFBDRO CC(C)(C)SCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877017725 643106280 /nfs/dbraw/zinc/10/62/80/643106280.db2.gz QGJVRCNMUQVOAY-UHFFFAOYSA-N 1 0 298.412 2.616 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1(O)CCC1 ZINC000877345577 643244194 /nfs/dbraw/zinc/24/41/94/643244194.db2.gz HHAIGSNWJAJTGG-UHFFFAOYSA-N 1 0 278.352 2.558 20 5 CFBDRO CC1(C)C(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1(C)C ZINC000877493078 643306589 /nfs/dbraw/zinc/30/65/89/643306589.db2.gz DKUSCVHZDNVLBL-UHFFFAOYSA-N 1 0 292.383 2.767 20 5 CFBDRO [NH3+]CCN(CC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000877523004 643326197 /nfs/dbraw/zinc/32/61/97/643326197.db2.gz UIDFZZXLNSASJS-UHFFFAOYSA-N 1 0 295.408 2.503 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3=CCCCC3)C2)c1 ZINC000877556471 643357258 /nfs/dbraw/zinc/35/72/58/643357258.db2.gz SCEUBDCPPKDYNK-UHFFFAOYSA-N 1 0 276.340 2.585 20 5 CFBDRO Cc1csc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877564906 643363750 /nfs/dbraw/zinc/36/37/50/643363750.db2.gz PFXISHOKSXXREE-UHFFFAOYSA-N 1 0 292.364 2.655 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000877577573 643373856 /nfs/dbraw/zinc/37/38/56/643373856.db2.gz WWJBZISIYAAPHM-CQSZACIVSA-N 1 0 292.379 2.806 20 5 CFBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877582526 643377967 /nfs/dbraw/zinc/37/79/67/643377967.db2.gz ACFWGTTYBMNYKV-MLCFOIATSA-N 1 0 278.356 2.519 20 5 CFBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000877604836 643391559 /nfs/dbraw/zinc/39/15/59/643391559.db2.gz HOTBEMLTPGGRDP-HNNXBMFYSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000877640554 643425752 /nfs/dbraw/zinc/42/57/52/643425752.db2.gz OVQDSRQWFPGYHJ-MLGOLLRUSA-N 1 0 292.379 2.662 20 5 CFBDRO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)CCC1(C)C ZINC000877700874 643463258 /nfs/dbraw/zinc/46/32/58/643463258.db2.gz GDXLIPFHZXCWLL-UHFFFAOYSA-N 1 0 283.397 2.572 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877736678 643495950 /nfs/dbraw/zinc/49/59/50/643495950.db2.gz ANAZOCNEWTWFDZ-QWHCGFSZSA-N 1 0 278.377 2.780 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000877736875 643496941 /nfs/dbraw/zinc/49/69/41/643496941.db2.gz BKXPSTVIUOWOCS-QWHCGFSZSA-N 1 0 278.377 2.780 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CC(C)C)CC1 ZINC000878190925 643786704 /nfs/dbraw/zinc/78/67/04/643786704.db2.gz LMGJINHTYJPIOP-UHFFFAOYSA-N 1 0 294.399 2.858 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000878920792 644076240 /nfs/dbraw/zinc/07/62/40/644076240.db2.gz VZLIXSQIRSDBMR-WFASDCNBSA-N 1 0 292.379 2.886 20 5 CFBDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319532 644224908 /nfs/dbraw/zinc/22/49/08/644224908.db2.gz WVKOSPILLGKECX-FZMZJTMJSA-N 1 0 264.325 2.594 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1F ZINC000879565926 644325103 /nfs/dbraw/zinc/32/51/03/644325103.db2.gz RLKBERVUSFBGRU-NEPJUHHUSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000127935580 644379206 /nfs/dbraw/zinc/37/92/06/644379206.db2.gz VDTGQQIVCPTYCH-BXKDBHETSA-N 1 0 288.307 2.705 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000879964289 644478766 /nfs/dbraw/zinc/47/87/66/644478766.db2.gz WJZRMQHLLQBDIL-GFCCVEGCSA-N 1 0 296.342 2.717 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000879964290 644478932 /nfs/dbraw/zinc/47/89/32/644478932.db2.gz WJZRMQHLLQBDIL-LBPRGKRZSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880232169 644591786 /nfs/dbraw/zinc/59/17/86/644591786.db2.gz IBZRQUJOYCYMIG-ZDUSSCGKSA-N 1 0 266.316 2.819 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000250264995 650972904 /nfs/dbraw/zinc/97/29/04/650972904.db2.gz KHPKFTRJEFCSSB-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000881807915 645131629 /nfs/dbraw/zinc/13/16/29/645131629.db2.gz GZADYSQGFLEEDY-QWRGUYRKSA-N 1 0 296.346 2.661 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000882547363 645365304 /nfs/dbraw/zinc/36/53/04/645365304.db2.gz LLZJHEPMDQMFPH-PWSUYJOCSA-N 1 0 294.330 2.558 20 5 CFBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882822814 645471309 /nfs/dbraw/zinc/47/13/09/645471309.db2.gz YNXMBDGCZOGHMT-ZDUSSCGKSA-N 1 0 298.346 2.705 20 5 CFBDRO CC(C)c1c[nH]c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000882981205 645538799 /nfs/dbraw/zinc/53/87/99/645538799.db2.gz FLALPQPWISNCKF-UHFFFAOYSA-N 1 0 288.351 2.774 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000130705258 645555807 /nfs/dbraw/zinc/55/58/07/645555807.db2.gz STTBKZPSULMORN-ZWNOBZJWSA-N 1 0 266.341 2.652 20 5 CFBDRO C=C/C=C/CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000883261203 645705568 /nfs/dbraw/zinc/70/55/68/645705568.db2.gz UJUKNXIJLIWRIG-SNAWJCMRSA-N 1 0 278.308 2.531 20 5 CFBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000883353799 645757168 /nfs/dbraw/zinc/75/71/68/645757168.db2.gz DPTMYSOZGAEEBE-STQMWFEESA-N 1 0 277.368 2.648 20 5 CFBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000883354922 645760036 /nfs/dbraw/zinc/76/00/36/645760036.db2.gz FEVZUXDWZJFRBQ-OCCSQVGLSA-N 1 0 277.368 2.648 20 5 CFBDRO CC(C)[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757356 646382843 /nfs/dbraw/zinc/38/28/43/646382843.db2.gz YVKSTJQTTUCINE-BXUZGUMPSA-N 1 0 266.341 2.510 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000886005476 646810397 /nfs/dbraw/zinc/81/03/97/646810397.db2.gz BRYPMIJCJUCQER-NSHDSACASA-N 1 0 273.292 2.572 20 5 CFBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000886049003 646842569 /nfs/dbraw/zinc/84/25/69/646842569.db2.gz CXEWUUSIVWKHOQ-CYBMUJFWSA-N 1 0 272.308 2.655 20 5 CFBDRO CS[C@H]1CCCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886080177 646857063 /nfs/dbraw/zinc/85/70/63/646857063.db2.gz AYCUAYIJTMIGRM-LBPRGKRZSA-N 1 0 281.381 2.707 20 5 CFBDRO Cc1cccc2c1CN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886171867 646906328 /nfs/dbraw/zinc/90/63/28/646906328.db2.gz QJJOUYLBMHUBBG-UHFFFAOYSA-N 1 0 283.331 2.857 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC3(CCC3)CO2)cs1 ZINC000886288872 646955625 /nfs/dbraw/zinc/95/56/25/646955625.db2.gz JGXDFTPKYABIIG-LLVKDONJSA-N 1 0 282.365 2.705 20 5 CFBDRO C[C@@H]1CC(F)(F)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886301075 646958886 /nfs/dbraw/zinc/95/88/86/646958886.db2.gz VQNUTMTVFMWKON-SECBINFHSA-N 1 0 271.267 2.609 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3cccnc32)cc1 ZINC000886547538 647042886 /nfs/dbraw/zinc/04/28/86/647042886.db2.gz NACDNCUZHUMDQG-OAHLLOKOSA-N 1 0 299.330 2.646 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3cccnc32)cc1 ZINC000886547537 647042946 /nfs/dbraw/zinc/04/29/46/647042946.db2.gz NACDNCUZHUMDQG-HNNXBMFYSA-N 1 0 299.330 2.646 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886558218 647046368 /nfs/dbraw/zinc/04/63/68/647046368.db2.gz DOSXHZCRBKEIGA-PHIMTYICSA-N 1 0 282.340 2.529 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(F)c1 ZINC000886830739 647155897 /nfs/dbraw/zinc/15/58/97/647155897.db2.gz WSUFURWINQSCBF-WFASDCNBSA-N 1 0 294.326 2.735 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000886834732 647156606 /nfs/dbraw/zinc/15/66/06/647156606.db2.gz CCKKFKHYUUGWIM-GOEBONIOSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886836087 647157712 /nfs/dbraw/zinc/15/77/12/647157712.db2.gz VLQRBARUWNWFSB-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000924093279 647921396 /nfs/dbraw/zinc/92/13/96/647921396.db2.gz QBDRBAZLLDWFHH-SECBINFHSA-N 1 0 292.295 2.783 20 5 CFBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311245 648154228 /nfs/dbraw/zinc/15/42/28/648154228.db2.gz RKXCMKHQGMTRNA-UONOGXRCSA-N 1 0 278.352 2.746 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000926891225 648647337 /nfs/dbraw/zinc/64/73/37/648647337.db2.gz HOPBVSSIPNRCIU-DGFSRKRXSA-N 1 0 276.336 2.813 20 5 CFBDRO CC[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926894310 648649493 /nfs/dbraw/zinc/64/94/93/648649493.db2.gz XRPWNZMTOPWIJX-SUNKGSAMSA-N 1 0 264.325 2.670 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927020155 648685862 /nfs/dbraw/zinc/68/58/62/648685862.db2.gz HYLKOQTVZKCFJU-FZMZJTMJSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000929887723 649144850 /nfs/dbraw/zinc/14/48/50/649144850.db2.gz VJJMXCLKCSPSRP-UHFFFAOYSA-N 1 0 287.157 2.551 20 5 CFBDRO CC1CC(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000929988292 649160292 /nfs/dbraw/zinc/16/02/92/649160292.db2.gz MUZVRFJIIPJJDB-BPCQOVAHSA-N 1 0 290.367 2.522 20 5 CFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000930220888 649206661 /nfs/dbraw/zinc/20/66/61/649206661.db2.gz RXTWGMFFQOZTMV-SSDOTTSWSA-N 1 0 291.120 2.516 20 5 CFBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000930224813 649209942 /nfs/dbraw/zinc/20/99/42/649209942.db2.gz RMVAGDSXICDLJZ-LBPRGKRZSA-N 1 0 256.733 2.903 20 5 CFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931043691 649370151 /nfs/dbraw/zinc/37/01/51/649370151.db2.gz UBZICSWVBJWQJW-ZWNOBZJWSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000931043931 649370421 /nfs/dbraw/zinc/37/04/21/649370421.db2.gz RRTHTBYWTHPHRO-YGRLFVJLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000931351677 649414096 /nfs/dbraw/zinc/41/40/96/649414096.db2.gz RVSAGFJRFOUHJP-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncco3)CC2)cc1 ZINC000931449081 649429390 /nfs/dbraw/zinc/42/93/90/649429390.db2.gz NWJXUDJSOBBECC-UHFFFAOYSA-N 1 0 287.319 2.962 20 5 CFBDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931688482 649472254 /nfs/dbraw/zinc/47/22/54/649472254.db2.gz IAHWPVBALRMGBP-LLVKDONJSA-N 1 0 284.306 2.809 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000932370820 649586396 /nfs/dbraw/zinc/58/63/96/649586396.db2.gz VPWIQNJSASJVRT-SECBINFHSA-N 1 0 270.304 2.637 20 5 CFBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932647891 649633869 /nfs/dbraw/zinc/63/38/69/649633869.db2.gz AFDDUBMDJMELHR-WCQYABFASA-N 1 0 292.335 2.541 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000934109530 649750467 /nfs/dbraw/zinc/75/04/67/649750467.db2.gz AOLAUQDVVWCXSR-TZMCWYRMSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000934234171 649765074 /nfs/dbraw/zinc/76/50/74/649765074.db2.gz JPVUONWMCJCBQI-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000724123899 770797870 /nfs/dbraw/zinc/79/78/70/770797870.db2.gz ZRONSHXCOINVAI-YPMHNXCESA-N 1 0 284.743 2.857 20 5 CFBDRO Cc1cc(C)c(-n2cccc2C[NH3+])c(C)c1[N+](=O)[O-] ZINC001167590421 770948493 /nfs/dbraw/zinc/94/84/93/770948493.db2.gz YZRYJKXTDNFZNQ-UHFFFAOYSA-N 1 0 259.309 2.769 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cccc1C[NH3+] ZINC001167600017 770966464 /nfs/dbraw/zinc/96/64/64/770966464.db2.gz BRDIGTPJBFBXQQ-UHFFFAOYSA-N 1 0 289.335 2.940 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC001224181903 775121612 /nfs/dbraw/zinc/12/16/12/775121612.db2.gz BWYUDJBHWHWDCN-GFCCVEGCSA-N 1 0 295.383 2.854 20 5 CFBDRO Cc1ccc(OC[C@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224624114 775229727 /nfs/dbraw/zinc/22/97/27/775229727.db2.gz UVXFEGRMGBGQLN-HNNXBMFYSA-N 1 0 266.405 2.875 20 5 CFBDRO CC(C)Oc1cc(COCCC[N+](C)(C)C)c(F)cn1 ZINC001224621405 775229981 /nfs/dbraw/zinc/22/99/81/775229981.db2.gz TUPHDVPFZIIUCK-UHFFFAOYSA-N 1 0 285.383 2.621 20 5 CFBDRO C[N+](C)(C)CCCO[C@H](C(=O)c1ccco1)c1ccco1 ZINC001224621976 775229994 /nfs/dbraw/zinc/22/99/94/775229994.db2.gz DTYDENPAQKLKHS-INIZCTEOSA-N 1 0 292.355 2.910 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCCCCOc1ccccc1 ZINC001224713584 775257150 /nfs/dbraw/zinc/25/71/50/775257150.db2.gz RJICBUNAEJLTGL-HNNXBMFYSA-N 1 0 266.405 2.957 20 5 CFBDRO O=[N+]([O-])c1ccnc(Cl)c1OC1CC[NH+](C2CC2)CC1 ZINC001225431199 775454450 /nfs/dbraw/zinc/45/44/50/775454450.db2.gz NEMWWFDRGONRMT-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218033156 775454527 /nfs/dbraw/zinc/45/45/27/775454527.db2.gz AYIHKQUMPFLDHY-RDDDGLTNSA-N 1 0 290.241 2.600 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC001225627629 775530521 /nfs/dbraw/zinc/53/05/21/775530521.db2.gz CYNUBEBZNZUYJD-HNNXBMFYSA-N 1 0 299.330 2.643 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225629387 775531630 /nfs/dbraw/zinc/53/16/30/775531630.db2.gz MAMRXFBQHRLORG-UHFFFAOYSA-N 1 0 279.340 2.632 20 5 CFBDRO Cc1nc(O[C@H](C)C[N+](C)(C)C)ccc1Br ZINC001225748238 775581191 /nfs/dbraw/zinc/58/11/91/775581191.db2.gz CQCJCJLLPUCLIL-SECBINFHSA-N 1 0 288.209 2.626 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225778865 775591058 /nfs/dbraw/zinc/59/10/58/775591058.db2.gz KTSAYRGCBDMQDC-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225778951 775591118 /nfs/dbraw/zinc/59/11/18/775591118.db2.gz LOMAYHLHAHFSSC-UHFFFAOYSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1Br ZINC001225811613 775601440 /nfs/dbraw/zinc/60/14/40/775601440.db2.gz TZPAEMLWPZVMJI-SECBINFHSA-O 1 0 289.193 2.628 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218401325 775635148 /nfs/dbraw/zinc/63/51/48/775635148.db2.gz GNMVNKQQEXDXRZ-AAEUAGOBSA-N 1 0 264.325 2.731 20 5 CFBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001225968778 775651450 /nfs/dbraw/zinc/65/14/50/775651450.db2.gz LEYLNBILYBUGGG-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226190027 775731540 /nfs/dbraw/zinc/73/15/40/775731540.db2.gz IUYKJWYKNVKCQC-UHFFFAOYSA-N 1 0 286.278 2.736 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258664 775758797 /nfs/dbraw/zinc/75/87/97/775758797.db2.gz PIFWQDQTYVRVOS-LLVKDONJSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226365622 775792525 /nfs/dbraw/zinc/79/25/25/775792525.db2.gz DMOQCADAVYBOBC-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2cc(F)ccc21 ZINC001226373395 775795205 /nfs/dbraw/zinc/79/52/05/775795205.db2.gz JJKBXTOVNLUPGA-VIFPVBQESA-N 1 0 298.769 2.896 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2o1 ZINC001226462644 775832987 /nfs/dbraw/zinc/83/29/87/775832987.db2.gz SVHFDQBEDWXACH-SECBINFHSA-N 1 0 269.752 2.955 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000695636383 775901413 /nfs/dbraw/zinc/90/14/13/775901413.db2.gz GIXSTGAAZUIOFC-SNVBAGLBSA-N 1 0 268.744 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001226710004 775931517 /nfs/dbraw/zinc/93/15/17/775931517.db2.gz HULIBXZQHDGKMG-OAHLLOKOSA-N 1 0 299.330 2.643 20 5 CFBDRO Cc1cc(OC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC001226841879 775987706 /nfs/dbraw/zinc/98/77/06/775987706.db2.gz PSMWCHFZYQKVJM-UHFFFAOYSA-N 1 0 276.336 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H](C)C[NH+](C)C ZINC001226990909 776051420 /nfs/dbraw/zinc/05/14/20/776051420.db2.gz ZIALJEKGQAHSIG-SECBINFHSA-N 1 0 272.732 2.886 20 5 CFBDRO CC(C)c1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227020396 776063307 /nfs/dbraw/zinc/06/33/07/776063307.db2.gz SLUUJYRLLUDZJN-LBPRGKRZSA-O 1 0 252.378 2.989 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129330 776108885 /nfs/dbraw/zinc/10/88/85/776108885.db2.gz KDRVFLFECNOTOZ-SSDOTTSWSA-N 1 0 291.134 2.985 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Cl)c(Cl)c1 ZINC001227229379 776146521 /nfs/dbraw/zinc/14/65/21/776146521.db2.gz VOOCGNAHEMKVOW-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccc(F)cc2s1 ZINC001227398821 776192073 /nfs/dbraw/zinc/19/20/73/776192073.db2.gz HVFWHXUOYUVFGD-SECBINFHSA-N 1 0 269.365 2.909 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c(OC)cccc1[N+](=O)[O-] ZINC001227694845 776260665 /nfs/dbraw/zinc/26/06/65/776260665.db2.gz BRHNRCSPNSDICN-NSHDSACASA-N 1 0 282.340 2.713 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015648 776364372 /nfs/dbraw/zinc/36/43/72/776364372.db2.gz GLHSEQBSVLQROP-JTQLQIEISA-N 1 0 286.278 2.736 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])cc(F)c1F ZINC001228015269 776364620 /nfs/dbraw/zinc/36/46/20/776364620.db2.gz BJNUSIWVVANVJF-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)c2ncccc12 ZINC001228135265 776405572 /nfs/dbraw/zinc/40/55/72/776405572.db2.gz CZJWXSWIATYJDR-OAHLLOKOSA-N 1 0 299.330 2.616 20 5 CFBDRO CC(=O)c1cc(C)c(C)cc1O[C@H](C)C[N+](C)(C)C ZINC001228434039 776490308 /nfs/dbraw/zinc/49/03/08/776490308.db2.gz LZCGNCHWVFNYMQ-CYBMUJFWSA-N 1 0 264.389 2.980 20 5 CFBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H]1CCCN(C)C1 ZINC001228452359 776494946 /nfs/dbraw/zinc/49/49/46/776494946.db2.gz IKEXBDKGAXZNLG-GFCCVEGCSA-N 1 0 292.335 2.579 20 5 CFBDRO Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228833867 776625771 /nfs/dbraw/zinc/62/57/71/776625771.db2.gz SUQGNHUBNKRLGR-CYBMUJFWSA-N 1 0 264.325 2.765 20 5 CFBDRO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC001228833418 776625980 /nfs/dbraw/zinc/62/59/80/776625980.db2.gz KVEZAKNOOFRFEM-JJLQDPRZSA-N 1 0 276.336 2.907 20 5 CFBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001228970652 776672999 /nfs/dbraw/zinc/67/29/99/776672999.db2.gz KNJMWXZLMLESJA-GFCCVEGCSA-N 1 0 292.335 2.661 20 5 CFBDRO CCN1CCC[C@@H](Oc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229137344 776730422 /nfs/dbraw/zinc/73/04/22/776730422.db2.gz GBGZGVUWPLXAAV-GFCCVEGCSA-N 1 0 292.335 2.661 20 5 CFBDRO CC[N@@H+]1CC[C@H](OCc2cccc(C)c2[N+](=O)[O-])C1 ZINC001223660448 776745376 /nfs/dbraw/zinc/74/53/76/776745376.db2.gz DARYDNHKHWRNFM-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342931 776785182 /nfs/dbraw/zinc/78/51/82/776785182.db2.gz DKTGVCOZEZWUKH-CYBMUJFWSA-N 1 0 287.319 2.616 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001229487074 776826792 /nfs/dbraw/zinc/82/67/92/776826792.db2.gz JUPAOAIJTIBYKX-SNVBAGLBSA-N 1 0 293.323 2.845 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229915019 776917656 /nfs/dbraw/zinc/91/76/56/776917656.db2.gz IENVYUBYSVKQHR-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229916877 776917861 /nfs/dbraw/zinc/91/78/61/776917861.db2.gz DJAQTCAEYZIAKH-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230724218 777052416 /nfs/dbraw/zinc/05/24/16/777052416.db2.gz USHUWDQJYYVSBG-OAHLLOKOSA-N 1 0 276.336 2.685 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230880179 777081264 /nfs/dbraw/zinc/08/12/64/777081264.db2.gz ZDVSUBXWYZIBOB-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc(Br)c1 ZINC001231015801 777116988 /nfs/dbraw/zinc/11/69/88/777116988.db2.gz RZUZEUNXXURXJB-SECBINFHSA-O 1 0 289.193 2.628 20 5 CFBDRO CCCOC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001231341096 777195672 /nfs/dbraw/zinc/19/56/72/777195672.db2.gz UFAGLCZYSMAWGI-ZDUSSCGKSA-N 1 0 280.388 2.727 20 5 CFBDRO COC(=O)c1ccc2occc2c1O[C@@H](C)C[N+](C)(C)C ZINC001231383827 777206370 /nfs/dbraw/zinc/20/63/70/777206370.db2.gz DSFALODEDVAPFL-NSHDSACASA-N 1 0 292.355 2.693 20 5 CFBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000721804295 777586010 /nfs/dbraw/zinc/58/60/10/777586010.db2.gz OCIQYKOFIHEANF-LLVKDONJSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000713924105 777878758 /nfs/dbraw/zinc/87/87/58/777878758.db2.gz JAZWOLLFWGTPLV-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)ccc2cccnc21 ZINC001227919838 777960106 /nfs/dbraw/zinc/96/01/06/777960106.db2.gz XURPGPISVVTDPS-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO CC(=O)c1ccc2nc(O[C@H](C)C[N+](C)(C)C)sc2c1 ZINC001233607738 778010144 /nfs/dbraw/zinc/01/01/44/778010144.db2.gz XUIFEBJDSBOKKC-SNVBAGLBSA-N 1 0 293.412 2.972 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093212788 778090434 /nfs/dbraw/zinc/09/04/34/778090434.db2.gz LNSCUYKJOIVDJA-RKDXNWHRSA-N 1 0 269.732 2.930 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234057579 778155357 /nfs/dbraw/zinc/15/53/57/778155357.db2.gz VZEYBEZPQFBQEE-JTQLQIEISA-N 1 0 268.288 2.515 20 5 CFBDRO CC1(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001168185555 778226753 /nfs/dbraw/zinc/22/67/53/778226753.db2.gz ISRKNBWXOVEKLU-UHFFFAOYSA-N 1 0 274.324 2.630 20 5 CFBDRO CCOc1ccccc1CO[C@@H](C)C[N+](C)(C)C ZINC001223898770 778360227 /nfs/dbraw/zinc/36/02/27/778360227.db2.gz GEFBLDIVPHWHDR-ZDUSSCGKSA-N 1 0 252.378 2.697 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CSC2)c(Cl)c1 ZINC000698015256 778628841 /nfs/dbraw/zinc/62/88/41/778628841.db2.gz DXBJHSLZHMBHGV-UHFFFAOYSA-N 1 0 272.757 2.701 20 5 CFBDRO CC[C@@H](C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000696143507 778847754 /nfs/dbraw/zinc/84/77/54/778847754.db2.gz LYZMCZQYHSCFBY-RISCZKNCSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233750056 779080482 /nfs/dbraw/zinc/08/04/82/779080482.db2.gz IFWVLVGTBFHSNC-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000699549896 779295294 /nfs/dbraw/zinc/29/52/94/779295294.db2.gz XRPWNZMTOPWIJX-GYSYKLTISA-N 1 0 264.325 2.670 20 5 CFBDRO C[N@@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001162331143 780758439 /nfs/dbraw/zinc/75/84/39/780758439.db2.gz LULUMXPLUULUBT-GFCCVEGCSA-N 1 0 284.747 2.539 20 5 CFBDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001162677466 781104908 /nfs/dbraw/zinc/10/49/08/781104908.db2.gz JLCAWYWMYCGOHN-RDDDGLTNSA-N 1 0 289.257 2.776 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000706533230 781186914 /nfs/dbraw/zinc/18/69/14/781186914.db2.gz KGPKBLZEVOGDHR-HOMQSWHASA-N 1 0 270.716 2.515 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000707137200 781226662 /nfs/dbraw/zinc/22/66/62/781226662.db2.gz FPWBVEPQKKQTPB-ZDUSSCGKSA-N 1 0 298.770 2.984 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000707157098 781227691 /nfs/dbraw/zinc/22/76/91/781227691.db2.gz UUXKPJDQBFOWPY-UHFFFAOYSA-N 1 0 284.743 2.859 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000708713914 781278740 /nfs/dbraw/zinc/27/87/40/781278740.db2.gz APBXBUZLQZRKFO-WVSHTKLVSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594507401 349434197 /nfs/dbraw/zinc/43/41/97/349434197.db2.gz LVMBOYLATQNGTB-HUBLWGQQSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(CO)cc1 ZINC000594507763 349434888 /nfs/dbraw/zinc/43/48/88/349434888.db2.gz QYUWIXAEUSBUAB-INIZCTEOSA-N 1 0 298.342 2.864 20 5 CFBDRO Cc1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599252 349456990 /nfs/dbraw/zinc/45/69/90/349456990.db2.gz INKCVVJLBUVZED-OLZOCXBDSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594720307 349480196 /nfs/dbraw/zinc/48/01/96/349480196.db2.gz HVGARRNKKZGTMM-BXKDBHETSA-N 1 0 286.278 2.670 20 5 CFBDRO CC[C@@H](C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594718174 349480420 /nfs/dbraw/zinc/48/04/20/349480420.db2.gz KMJSHMVMYPLNSN-GFCCVEGCSA-N 1 0 293.367 2.949 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccccn1 ZINC000067697001 346814608 /nfs/dbraw/zinc/81/46/08/346814608.db2.gz ORKIMUUYLJUGND-FNORWQNLSA-N 1 0 269.304 2.793 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000594896545 349497833 /nfs/dbraw/zinc/49/78/33/349497833.db2.gz ZFVUOLVKCUCWIM-TXEJJXNPSA-N 1 0 292.383 2.647 20 5 CFBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273056620 192032865 /nfs/dbraw/zinc/03/28/65/192032865.db2.gz LNMIWJQATQZFGL-GJZGRUSLSA-N 1 0 276.336 2.642 20 5 CFBDRO Cc1c[nH]c(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000594942609 349521670 /nfs/dbraw/zinc/52/16/70/349521670.db2.gz KETRQYRNEFZATO-UHFFFAOYSA-N 1 0 294.742 2.612 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594956593 349528677 /nfs/dbraw/zinc/52/86/77/349528677.db2.gz LROJOZWCGUJPCZ-ZDUSSCGKSA-N 1 0 277.368 2.557 20 5 CFBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000273075409 192037342 /nfs/dbraw/zinc/03/73/42/192037342.db2.gz PGCVRDPHQAPMMT-OLZOCXBDSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCO[C@@H]1CC1(F)F ZINC000594971112 349535898 /nfs/dbraw/zinc/53/58/98/349535898.db2.gz UWQWOGKAWLPYKZ-HSBHDXMMSA-N 1 0 298.289 2.622 20 5 CFBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000594985984 349538833 /nfs/dbraw/zinc/53/88/33/349538833.db2.gz RECMXCAUPVJFOB-SMDDNHRTSA-N 1 0 264.325 2.642 20 5 CFBDRO CCSC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594984551 349539043 /nfs/dbraw/zinc/53/90/43/349539043.db2.gz MJSAPWBOOFVKSQ-UHFFFAOYSA-N 1 0 266.366 2.970 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000595007236 349546357 /nfs/dbraw/zinc/54/63/57/349546357.db2.gz KPGHGIMOLUFXPR-WCQYABFASA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000595010657 349548376 /nfs/dbraw/zinc/54/83/76/349548376.db2.gz WBXJIGVYIBUIOQ-TUAOUCFPSA-N 1 0 296.367 2.661 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000595012142 349549043 /nfs/dbraw/zinc/54/90/43/349549043.db2.gz BYKKWLSBNVHKEI-LBPRGKRZSA-N 1 0 266.366 2.970 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019000 349551927 /nfs/dbraw/zinc/55/19/27/349551927.db2.gz PDOLQTYLPWQNQD-NHYWBVRUSA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCSCC2)cc1 ZINC000595019401 349551990 /nfs/dbraw/zinc/55/19/90/349551990.db2.gz MUEKYPXOOLUEHI-LBPRGKRZSA-N 1 0 296.392 2.849 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCSC1 ZINC000595024634 349553701 /nfs/dbraw/zinc/55/37/01/349553701.db2.gz AGJQHLZEIXFISP-UWVGGRQHSA-N 1 0 282.365 2.760 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000595026604 349555818 /nfs/dbraw/zinc/55/58/18/349555818.db2.gz MVLMJQFLABFIIS-RYUDHWBXSA-N 1 0 294.351 2.823 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035380 349558636 /nfs/dbraw/zinc/55/86/36/349558636.db2.gz IQJNYPGBHNNCQJ-MNOVXSKESA-N 1 0 282.340 2.679 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594995194 349542109 /nfs/dbraw/zinc/54/21/09/349542109.db2.gz LFQGDOHITQKDCB-ZDUSSCGKSA-N 1 0 278.352 2.808 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595050087 349565062 /nfs/dbraw/zinc/56/50/62/349565062.db2.gz FXXHVNCCUNUIIA-RYUDHWBXSA-N 1 0 296.367 2.927 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056907 349568521 /nfs/dbraw/zinc/56/85/21/349568521.db2.gz SMQPUEGOYPLVFW-CABCVRRESA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056910 349568692 /nfs/dbraw/zinc/56/86/92/349568692.db2.gz SMQPUEGOYPLVFW-GJZGRUSLSA-N 1 0 278.352 2.797 20 5 CFBDRO COC[C@@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000595059734 349570207 /nfs/dbraw/zinc/57/02/07/349570207.db2.gz HXSKRHFRXKGRKC-TZMCWYRMSA-N 1 0 296.367 2.605 20 5 CFBDRO CC[C@@H]([NH2+]CC[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000595058996 349570456 /nfs/dbraw/zinc/57/04/56/349570456.db2.gz DZUKUYFYGHUNML-HUUCEWRRSA-N 1 0 296.367 2.687 20 5 CFBDRO COC[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000595059949 349570610 /nfs/dbraw/zinc/57/06/10/349570610.db2.gz JFXFHRPWUACTLW-OLZOCXBDSA-N 1 0 296.367 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C/C=C\CO)CCCC2 ZINC000595065373 349572130 /nfs/dbraw/zinc/57/21/30/349572130.db2.gz ANWYMYXMFDOZCS-JZIMQPMSSA-N 1 0 276.336 2.500 20 5 CFBDRO CCC[C@H]([NH2+]C/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595069848 349573134 /nfs/dbraw/zinc/57/31/34/349573134.db2.gz LMMZITCPTAAUON-XGACYXMMSA-N 1 0 264.325 2.574 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595068081 349573188 /nfs/dbraw/zinc/57/31/88/349573188.db2.gz OGDOMMRSOVHVRH-FZMZJTMJSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595076285 349574985 /nfs/dbraw/zinc/57/49/85/349574985.db2.gz HIYMEYVYQQEXEJ-BPLDGKMQSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067948939 346828984 /nfs/dbraw/zinc/82/89/84/346828984.db2.gz XJJUSRQBQKGSTG-CYBMUJFWSA-N 1 0 291.351 2.694 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCC(O)CC1 ZINC000595094987 349580207 /nfs/dbraw/zinc/58/02/07/349580207.db2.gz SGLGVXWPCJZVCC-QOZQQMKHSA-N 1 0 290.363 2.723 20 5 CFBDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595110235 349583882 /nfs/dbraw/zinc/58/38/82/349583882.db2.gz ZHCAZVVAXKGNHA-BXUZGUMPSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1c(NC(=O)C2([NH3+])CC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000595254101 349587446 /nfs/dbraw/zinc/58/74/46/349587446.db2.gz SCIYIFUDTIKYBO-UHFFFAOYSA-N 1 0 289.335 2.503 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000595305214 349598386 /nfs/dbraw/zinc/59/83/86/349598386.db2.gz YRBWJESTDBOKPW-NSHDSACASA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(C[NH+]2C3CCCC2CCC3)c1[N+](=O)[O-] ZINC000595325369 349602209 /nfs/dbraw/zinc/60/22/09/349602209.db2.gz GQKXGQOMTSHQKZ-UHFFFAOYSA-N 1 0 265.313 2.798 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595291940 349592046 /nfs/dbraw/zinc/59/20/46/349592046.db2.gz YHQXQIKJHRHVLT-ONGXEEELSA-N 1 0 267.329 2.902 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000595348298 349609151 /nfs/dbraw/zinc/60/91/51/349609151.db2.gz QTQQYPPQMMQPSR-FZMZJTMJSA-N 1 0 295.358 2.648 20 5 CFBDRO CC(C)=CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370194 349611284 /nfs/dbraw/zinc/61/12/84/349611284.db2.gz DHGJBGBPKHVWSL-CYBMUJFWSA-N 1 0 290.367 2.832 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000595425143 349621320 /nfs/dbraw/zinc/62/13/20/349621320.db2.gz JZNOHHVNBADSRD-HUUCEWRRSA-N 1 0 294.326 2.781 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273113011 192046272 /nfs/dbraw/zinc/04/62/72/192046272.db2.gz XVVZJKLWTQKGNV-HUUCEWRRSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273113009 192046661 /nfs/dbraw/zinc/04/66/61/192046661.db2.gz XVVZJKLWTQKGNV-CABCVRRESA-N 1 0 276.336 2.642 20 5 CFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442292 349627987 /nfs/dbraw/zinc/62/79/87/349627987.db2.gz REUTUEYTFWSZRT-WPRPVWTQSA-N 1 0 253.302 2.512 20 5 CFBDRO C[C@H](CO)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCC1 ZINC000595467930 349635430 /nfs/dbraw/zinc/63/54/30/349635430.db2.gz VGXUTTFACVGOBL-LLVKDONJSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000595473738 349637479 /nfs/dbraw/zinc/63/74/79/349637479.db2.gz BGOZTBLLEFQUQC-UKRRQHHQSA-N 1 0 294.326 2.877 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1COC(C)(C)C1 ZINC000595476774 349638405 /nfs/dbraw/zinc/63/84/05/349638405.db2.gz PCTWUWIWFVUYPM-CQSZACIVSA-N 1 0 278.352 2.637 20 5 CFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595482963 349639450 /nfs/dbraw/zinc/63/94/50/349639450.db2.gz DHELQRAKLXLBJX-MWLCHTKSSA-N 1 0 285.369 2.655 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595519724 349649207 /nfs/dbraw/zinc/64/92/07/349649207.db2.gz BTVBBLCXINZPMC-NHYWBVRUSA-N 1 0 296.342 2.981 20 5 CFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595502580 349643367 /nfs/dbraw/zinc/64/33/67/349643367.db2.gz ZUBLZKUCHJOYJG-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000125647974 187194365 /nfs/dbraw/zinc/19/43/65/187194365.db2.gz AWTRHTHWCHKBID-UHFFFAOYSA-N 1 0 294.351 2.844 20 5 CFBDRO CC(C)[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000068916415 346876465 /nfs/dbraw/zinc/87/64/65/346876465.db2.gz VXMLGTSAABMSBL-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000069142623 346883632 /nfs/dbraw/zinc/88/36/32/346883632.db2.gz WWBFDVGZOFFKCJ-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1noc(C[NH2+][C@]2(C)CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595531844 349652116 /nfs/dbraw/zinc/65/21/16/349652116.db2.gz YTEQGNAOIUMGIA-NOZJJQNGSA-N 1 0 267.329 2.950 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536846 349653886 /nfs/dbraw/zinc/65/38/86/349653886.db2.gz VRJSAEPDWVVTLF-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536847 349654017 /nfs/dbraw/zinc/65/40/17/349654017.db2.gz VRJSAEPDWVVTLF-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000595545876 349656548 /nfs/dbraw/zinc/65/65/48/349656548.db2.gz KVJOQZWMBUDWBG-GFCCVEGCSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@]1(C2CC2)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616772 349677497 /nfs/dbraw/zinc/67/74/97/349677497.db2.gz CJZGABUUWWKMKV-MRXNPFEDSA-N 1 0 290.363 2.638 20 5 CFBDRO Cc1c(CN2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595619055 349678663 /nfs/dbraw/zinc/67/86/63/349678663.db2.gz ZALKJMUHBGKTDB-MRXNPFEDSA-N 1 0 290.363 2.904 20 5 CFBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595643715 349687588 /nfs/dbraw/zinc/68/75/88/349687588.db2.gz ZAHRXCSFDOGIAV-JTQLQIEISA-N 1 0 293.367 2.608 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000595632843 349683853 /nfs/dbraw/zinc/68/38/53/349683853.db2.gz JHXVCGBXVUSOKA-FQUUOJAGSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595670679 349695503 /nfs/dbraw/zinc/69/55/03/349695503.db2.gz IFPCCFIVJYJFNP-GXTWGEPZSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679747 349697870 /nfs/dbraw/zinc/69/78/70/349697870.db2.gz XNNGAZZDUZFDKU-NHYWBVRUSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595744608 349721526 /nfs/dbraw/zinc/72/15/26/349721526.db2.gz KUSPNYUHNHQCIL-IJLUTSLNSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744611 349721866 /nfs/dbraw/zinc/72/18/66/349721866.db2.gz KUSPNYUHNHQCIL-OZTPJHRESA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704780 349710936 /nfs/dbraw/zinc/71/09/36/349710936.db2.gz VJTDFGRZERUMKZ-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000595704835 349711295 /nfs/dbraw/zinc/71/12/95/349711295.db2.gz WGADBNNMTZYUNR-WFASDCNBSA-N 1 0 292.379 2.886 20 5 CFBDRO O=C1CCCC12CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000595805572 349735705 /nfs/dbraw/zinc/73/57/05/349735705.db2.gz HLVJUCDVIFWHBI-UHFFFAOYSA-N 1 0 288.347 2.930 20 5 CFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595765512 349727211 /nfs/dbraw/zinc/72/72/11/349727211.db2.gz KAJVXLNISILACK-GFCCVEGCSA-N 1 0 291.351 2.702 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595777894 349731200 /nfs/dbraw/zinc/73/12/00/349731200.db2.gz LQPUAQPBBDRXGK-OLZOCXBDSA-N 1 0 296.754 2.641 20 5 CFBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000595902929 349765256 /nfs/dbraw/zinc/76/52/56/349765256.db2.gz IIAMIRNHVNVZFA-MRXNPFEDSA-N 1 0 297.358 2.875 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414300670 529665696 /nfs/dbraw/zinc/66/56/96/529665696.db2.gz AZYFIZHIPQVKTG-INWMFGNUSA-N 1 0 294.395 2.911 20 5 CFBDRO C[C@H]([NH2+]C1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294974293 199279469 /nfs/dbraw/zinc/27/94/69/199279469.db2.gz ZQWOJWQJXDJCFQ-VIFPVBQESA-N 1 0 281.381 2.723 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596098299 349794945 /nfs/dbraw/zinc/79/49/45/349794945.db2.gz KPDQAMBXFAZRQB-SNVBAGLBSA-N 1 0 298.774 2.610 20 5 CFBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072590266 346931489 /nfs/dbraw/zinc/93/14/89/346931489.db2.gz ZGPKMQGRHIVMSL-VIFPVBQESA-N 1 0 299.758 2.917 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000127862329 187337229 /nfs/dbraw/zinc/33/72/29/187337229.db2.gz JVFIARYUCYPPSZ-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000562517784 290049756 /nfs/dbraw/zinc/04/97/56/290049756.db2.gz ULTCVWDPHDJYNK-PJXYFTJBSA-N 1 0 264.325 2.640 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141686 349806655 /nfs/dbraw/zinc/80/66/55/349806655.db2.gz JGACYMCAKLZVJY-LLVKDONJSA-N 1 0 283.397 2.743 20 5 CFBDRO CS[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295019740 199303108 /nfs/dbraw/zinc/30/31/08/199303108.db2.gz KMGHJLMZJLXSAP-LBPRGKRZSA-N 1 0 252.339 2.532 20 5 CFBDRO Cc1cc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])s1 ZINC000596203941 349826531 /nfs/dbraw/zinc/82/65/31/349826531.db2.gz RMNHDNPNTGLCMU-UHFFFAOYSA-N 1 0 283.397 2.885 20 5 CFBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)CC12CCCCC2 ZINC000596250611 349840515 /nfs/dbraw/zinc/84/05/15/349840515.db2.gz IJDAEQJBZGRGTK-UHFFFAOYSA-N 1 0 296.396 2.506 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000219298889 539364065 /nfs/dbraw/zinc/36/40/65/539364065.db2.gz KDFLBEGQSNNZFR-KBPBESRZSA-N 1 0 275.352 2.942 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000128138268 187354238 /nfs/dbraw/zinc/35/42/38/187354238.db2.gz LNRSSKPRJCWNSB-LSDHHAIUSA-N 1 0 292.379 2.667 20 5 CFBDRO COCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127124954 187284761 /nfs/dbraw/zinc/28/47/61/187284761.db2.gz SEYFHODUSBVAKU-UHFFFAOYSA-N 1 0 290.319 2.933 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128247224 187358933 /nfs/dbraw/zinc/35/89/33/187358933.db2.gz CXUYBULTQFCMKG-OLZOCXBDSA-N 1 0 295.770 2.575 20 5 CFBDRO CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000074740483 347029442 /nfs/dbraw/zinc/02/94/42/347029442.db2.gz PHWQLPRWCIHOMH-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000413450749 530055032 /nfs/dbraw/zinc/05/50/32/530055032.db2.gz YXSTZZDWVWJVFH-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295114500 199351518 /nfs/dbraw/zinc/35/15/18/199351518.db2.gz VMGSOIUWQLECCL-GUTXKFCHSA-N 1 0 292.379 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCO)CC2)c(Cl)c1 ZINC000157312747 232236151 /nfs/dbraw/zinc/23/61/51/232236151.db2.gz CTUIKCVWDJCADY-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000157499064 232237273 /nfs/dbraw/zinc/23/72/73/232237273.db2.gz MEJSLHJLMOSPJB-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000128332535 187364546 /nfs/dbraw/zinc/36/45/46/187364546.db2.gz OYHGDRURNKRVDU-SUNKGSAMSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000128332064 187364757 /nfs/dbraw/zinc/36/47/57/187364757.db2.gz OYHGDRURNKRVDU-UHIISALHSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CC1 ZINC000188055909 232445649 /nfs/dbraw/zinc/44/56/49/232445649.db2.gz LVYZGSPLDLJYPV-CYBMUJFWSA-N 1 0 292.379 2.668 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000037404415 346329556 /nfs/dbraw/zinc/32/95/56/346329556.db2.gz YQQIAJVWIZJNKZ-SNVBAGLBSA-N 1 0 279.315 2.630 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037916594 346336076 /nfs/dbraw/zinc/33/60/76/346336076.db2.gz QXCZAUBYTDIWJD-OLZOCXBDSA-N 1 0 295.408 2.620 20 5 CFBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000046600488 346429778 /nfs/dbraw/zinc/42/97/78/346429778.db2.gz JPWCVRCTLBETPL-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000046783001 346434088 /nfs/dbraw/zinc/43/40/88/346434088.db2.gz AREZOUYUEGLIHL-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)s1 ZINC000048999592 346478207 /nfs/dbraw/zinc/47/82/07/346478207.db2.gz ZKWNDIBMECEHKY-UHFFFAOYSA-N 1 0 267.354 2.695 20 5 CFBDRO CC(C)CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053363836 346543680 /nfs/dbraw/zinc/54/36/80/346543680.db2.gz LOULLXJBFISKCN-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO CC(C)[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000060375285 346664193 /nfs/dbraw/zinc/66/41/93/346664193.db2.gz UHSZILCYVKYDPM-CYBMUJFWSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000060452628 346666063 /nfs/dbraw/zinc/66/60/63/346666063.db2.gz UYTXUZDHVXKGLT-LLVKDONJSA-N 1 0 267.304 2.630 20 5 CFBDRO CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000060484606 346666930 /nfs/dbraw/zinc/66/69/30/346666930.db2.gz MBJVBMTVLNJPGF-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404428 347136879 /nfs/dbraw/zinc/13/68/79/347136879.db2.gz FSTAGPONJBWXNA-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000076871940 347157637 /nfs/dbraw/zinc/15/76/37/347157637.db2.gz GXXBLUCTCWDWBX-UHFFFAOYSA-N 1 0 292.383 2.546 20 5 CFBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077456271 347192994 /nfs/dbraw/zinc/19/29/94/347192994.db2.gz IGGIGJUUXBQGJE-HNNXBMFYSA-N 1 0 280.368 2.872 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000078246730 347233663 /nfs/dbraw/zinc/23/36/63/347233663.db2.gz BMRHFPGZPYBVTI-OAHLLOKOSA-N 1 0 298.346 2.676 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])nc2)CCCCC1 ZINC000078247018 347234282 /nfs/dbraw/zinc/23/42/82/347234282.db2.gz FCFLPEWVPHXGFM-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000080597627 347368606 /nfs/dbraw/zinc/36/86/06/347368606.db2.gz YQKYUUVBZXYKII-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc(NCC[N@@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000080599706 347368639 /nfs/dbraw/zinc/36/86/39/347368639.db2.gz AWHWKYJOFDZNBS-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000080638409 347371010 /nfs/dbraw/zinc/37/10/10/347371010.db2.gz NXCFQLFFCVALEP-UHFFFAOYSA-N 1 0 295.383 2.885 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083207734 347449533 /nfs/dbraw/zinc/44/95/33/347449533.db2.gz VLVNFKNYPLRKHE-VHSXEESVSA-N 1 0 275.308 2.966 20 5 CFBDRO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000086682767 347487945 /nfs/dbraw/zinc/48/79/45/347487945.db2.gz KSSFPFCUMNKOJT-CYBMUJFWSA-N 1 0 266.341 2.664 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726444 347508437 /nfs/dbraw/zinc/50/84/37/347508437.db2.gz UTTOCDGJTRIYFC-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO CC(C)[NH+](CCN(C)c1ccc([N+](=O)[O-])nc1)C(C)C ZINC000355578351 535063845 /nfs/dbraw/zinc/06/38/45/535063845.db2.gz QNEYZDLOPGVLEC-UHFFFAOYSA-N 1 0 280.372 2.545 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000092764008 347645645 /nfs/dbraw/zinc/64/56/45/347645645.db2.gz NMHFWVZTLXWEEQ-ZDUSSCGKSA-N 1 0 278.352 2.532 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000093503012 347677966 /nfs/dbraw/zinc/67/79/66/347677966.db2.gz MJGXMRQFBOSNOO-SOFGYWHQSA-N 1 0 290.363 2.845 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000093821820 347684780 /nfs/dbraw/zinc/68/47/80/347684780.db2.gz OHSQICVNSBDSIH-HEWZJLJBSA-N 1 0 292.379 2.947 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121330793 347811063 /nfs/dbraw/zinc/81/10/63/347811063.db2.gz QNJLKIGYEMDTST-SGMGOOAPSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000140823346 347928208 /nfs/dbraw/zinc/92/82/08/347928208.db2.gz PEVFMUNFPTYZQM-AWEZNQCLSA-N 1 0 278.352 2.842 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151211092 347960211 /nfs/dbraw/zinc/96/02/11/347960211.db2.gz BPAVFFGVLZSNAT-UKRRQHHQSA-N 1 0 294.395 2.913 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152987346 347971119 /nfs/dbraw/zinc/97/11/19/347971119.db2.gz FOKPACLBCYLGCW-OCCSQVGLSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000295146585 199372171 /nfs/dbraw/zinc/37/21/71/199372171.db2.gz CRBDNXNAGFSAQT-ZWNOBZJWSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000158664671 348008066 /nfs/dbraw/zinc/00/80/66/348008066.db2.gz JPJHBOGYOPAHPM-LLVKDONJSA-N 1 0 261.325 2.552 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cccnc1[N+](=O)[O-] ZINC000159303284 348012445 /nfs/dbraw/zinc/01/24/45/348012445.db2.gz MMVLJMPYEPJSHI-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000162721032 348031891 /nfs/dbraw/zinc/03/18/91/348031891.db2.gz QEKJHLXJBKPINR-GFCCVEGCSA-N 1 0 292.383 2.832 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000086873581 179364461 /nfs/dbraw/zinc/36/44/61/179364461.db2.gz UFXCECCVHHJKOY-DGCLKSJQSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000086873588 179364939 /nfs/dbraw/zinc/36/49/39/179364939.db2.gz UFXCECCVHHJKOY-YPMHNXCESA-N 1 0 264.325 2.815 20 5 CFBDRO COCCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000234773371 348223191 /nfs/dbraw/zinc/22/31/91/348223191.db2.gz YWWDJDCGUCZPNH-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(O)cc1 ZINC000228412335 348195427 /nfs/dbraw/zinc/19/54/27/348195427.db2.gz WFBHRRQTCZWUHZ-UHFFFAOYSA-N 1 0 272.304 2.633 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087015166 179380061 /nfs/dbraw/zinc/38/00/61/179380061.db2.gz QOICJKJWGYPZHQ-LLVKDONJSA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1OCC[C@H]1CC[NH2+]C1 ZINC000236049632 348231990 /nfs/dbraw/zinc/23/19/90/348231990.db2.gz KVGRYJRTUSHXMO-SECBINFHSA-N 1 0 270.716 2.627 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000251290010 348291778 /nfs/dbraw/zinc/29/17/78/348291778.db2.gz VERUWCKBIPPBTB-YWPYICTPSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000255162923 348302913 /nfs/dbraw/zinc/30/29/13/348302913.db2.gz HMHWXKIOJPIKMA-LLPBQKLSSA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cccc1[N+](=O)[O-] ZINC000268959252 348328905 /nfs/dbraw/zinc/32/89/05/348328905.db2.gz XFDQIFZWEBCVAV-CVMIBZJCSA-N 1 0 276.336 2.874 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000300619748 348369536 /nfs/dbraw/zinc/36/95/36/348369536.db2.gz XKYVKYCJXRTXPF-GMXVVIOVSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000413068988 233014078 /nfs/dbraw/zinc/01/40/78/233014078.db2.gz HBHGVRLDAFBAIJ-GFCCVEGCSA-N 1 0 298.346 2.792 20 5 CFBDRO CCC(C)(C)OCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000308633754 348404410 /nfs/dbraw/zinc/40/44/10/348404410.db2.gz ALSOMUZOIJLULB-UHFFFAOYSA-N 1 0 280.368 2.932 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000273373912 192130757 /nfs/dbraw/zinc/13/07/57/192130757.db2.gz GGIRCQHTQZRGJC-HOTGVXAUSA-N 1 0 290.363 2.950 20 5 CFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000328301703 348440770 /nfs/dbraw/zinc/44/07/70/348440770.db2.gz BUFWIZBBNJWNII-AWEZNQCLSA-N 1 0 297.358 2.732 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000320371463 348436811 /nfs/dbraw/zinc/43/68/11/348436811.db2.gz UAEJPSHGNZFKOR-NSHDSACASA-N 1 0 294.351 2.662 20 5 CFBDRO Cc1cnc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000401057959 348577313 /nfs/dbraw/zinc/57/73/13/348577313.db2.gz SSEAEXBZRMOGCE-UHFFFAOYSA-N 1 0 299.374 2.981 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CCO)CCCC1 ZINC000273440085 192151522 /nfs/dbraw/zinc/15/15/22/192151522.db2.gz WJFUPSAOMJIHGX-UHFFFAOYSA-N 1 0 292.379 2.936 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000585754709 348743312 /nfs/dbraw/zinc/74/33/12/348743312.db2.gz WAYKRSWOBVIJKV-UHFFFAOYSA-N 1 0 288.351 2.658 20 5 CFBDRO CC(=O)c1cc(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000587749561 348762779 /nfs/dbraw/zinc/76/27/79/348762779.db2.gz LNUDHPSNRKWJSU-UHFFFAOYSA-N 1 0 291.351 2.551 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206573 348819923 /nfs/dbraw/zinc/81/99/23/348819923.db2.gz ZNNAXABEMLFJJJ-XHDPSFHLSA-N 1 0 295.358 2.506 20 5 CFBDRO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000589877290 348862540 /nfs/dbraw/zinc/86/25/40/348862540.db2.gz ASVFRCWWZRJXGY-NSHDSACASA-N 1 0 295.408 2.967 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000590726014 348937880 /nfs/dbraw/zinc/93/78/80/348937880.db2.gz LFUIDWGFCTYZPJ-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000590595418 348912122 /nfs/dbraw/zinc/91/21/22/348912122.db2.gz NTDRARFYSXXDLO-GOEBONIOSA-N 1 0 290.363 2.685 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590644559 348919690 /nfs/dbraw/zinc/91/96/90/348919690.db2.gz DDKOQDIDABYJJW-OCCSQVGLSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972117 348975574 /nfs/dbraw/zinc/97/55/74/348975574.db2.gz CAJXUSIXGMFVPY-JIVAZCRISA-N 1 0 288.347 2.719 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1ccsc1[N+](=O)[O-] ZINC000591824008 349048919 /nfs/dbraw/zinc/04/89/19/349048919.db2.gz NLNXDGFPRQLXAX-UHFFFAOYSA-N 1 0 283.397 2.969 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444707 349022687 /nfs/dbraw/zinc/02/26/87/349022687.db2.gz IMPBMQCMBMQXDB-RYUDHWBXSA-N 1 0 293.342 2.560 20 5 CFBDRO CCC[C@@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577211 349030575 /nfs/dbraw/zinc/03/05/75/349030575.db2.gz BIDCEDXMSHJGAH-OAHLLOKOSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582964 349032617 /nfs/dbraw/zinc/03/26/17/349032617.db2.gz VUZOYELROQJBSY-JSGCOSHPSA-N 1 0 289.379 2.920 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1CSCC1CC[NH2+]CC1 ZINC000592175307 349095216 /nfs/dbraw/zinc/09/52/16/349095216.db2.gz NCSGGSQERYEGEF-UHFFFAOYSA-N 1 0 296.392 2.836 20 5 CFBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182145 349095855 /nfs/dbraw/zinc/09/58/55/349095855.db2.gz KEYHXIBCOCVOKO-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357976 349108709 /nfs/dbraw/zinc/10/87/09/349108709.db2.gz ZWSSATDLPZCDRL-SKVAFPRGSA-N 1 0 286.291 2.573 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592374426 349111354 /nfs/dbraw/zinc/11/13/54/349111354.db2.gz GKQQCGUKBQJSEO-CMPLNLGQSA-N 1 0 284.331 2.621 20 5 CFBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C)C1 ZINC000592520748 349131890 /nfs/dbraw/zinc/13/18/90/349131890.db2.gz QRTMRZBSPHRDJU-AWEZNQCLSA-N 1 0 295.358 2.650 20 5 CFBDRO CCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592521267 349132624 /nfs/dbraw/zinc/13/26/24/349132624.db2.gz ZDXSQAPHQSKFHW-OAHLLOKOSA-N 1 0 277.368 2.511 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000593027608 349190018 /nfs/dbraw/zinc/19/00/18/349190018.db2.gz SUWNLCRNGKBWIC-GWCFXTLKSA-N 1 0 292.335 2.660 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC23CCCC3)c1 ZINC000593038402 349191702 /nfs/dbraw/zinc/19/17/02/349191702.db2.gz IUYPZIHNPYHCPQ-UHFFFAOYSA-N 1 0 276.336 2.992 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC000593067739 349200296 /nfs/dbraw/zinc/20/02/96/349200296.db2.gz JYYBYTDRGCKGTO-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593068145 349200366 /nfs/dbraw/zinc/20/03/66/349200366.db2.gz MULJXINZCGRUJC-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO CC(C)C[N@H+](C)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000593645357 349303072 /nfs/dbraw/zinc/30/30/72/349303072.db2.gz HWUABQXFJRWMOH-UHFFFAOYSA-N 1 0 279.384 2.662 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CNc3ccccc3C2)cs1 ZINC000593317236 349246520 /nfs/dbraw/zinc/24/65/20/349246520.db2.gz SMGOQOIVWDYLCY-GFCCVEGCSA-N 1 0 289.360 2.783 20 5 CFBDRO C[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000593456600 349274734 /nfs/dbraw/zinc/27/47/34/349274734.db2.gz FEYWGZSJAOPZQT-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000593983741 349345304 /nfs/dbraw/zinc/34/53/04/349345304.db2.gz HFGKINQUGKJKBD-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594020701 349355127 /nfs/dbraw/zinc/35/51/27/349355127.db2.gz LLFSYAIOWRCJFM-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000594020851 349355431 /nfs/dbraw/zinc/35/54/31/349355431.db2.gz MXKBSVMBYAVGNZ-UHFFFAOYSA-N 1 0 297.424 2.963 20 5 CFBDRO CC(C)OCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499557 349431837 /nfs/dbraw/zinc/43/18/37/349431837.db2.gz GDZRRSBFHBACDC-CYBMUJFWSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@]12COC[C@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597209847 350056605 /nfs/dbraw/zinc/05/66/05/350056605.db2.gz DLICWMRBCKYKKC-DURLZJIISA-N 1 0 288.347 2.576 20 5 CFBDRO C[C@]12COC[C@@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597209846 350057268 /nfs/dbraw/zinc/05/72/68/350057268.db2.gz DLICWMRBCKYKKC-CXFYGJIZSA-N 1 0 288.347 2.576 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597231703 350065683 /nfs/dbraw/zinc/06/56/83/350065683.db2.gz PSAJTAOHMFFBJY-SUXDSQMHSA-N 1 0 288.347 2.576 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414511531 233276763 /nfs/dbraw/zinc/27/67/63/233276763.db2.gz GXRMNFVUAMSPPJ-KKZNHRDASA-N 1 0 270.354 2.559 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000414525527 233282477 /nfs/dbraw/zinc/28/24/77/233282477.db2.gz MMTIFTADMKSVFG-GFCCVEGCSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414563601 233293682 /nfs/dbraw/zinc/29/36/82/233293682.db2.gz DAKQIUUBJWMRAM-TZMCWYRMSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414589535 233299689 /nfs/dbraw/zinc/29/96/89/233299689.db2.gz WZPYWCYHFRBKIL-YFOKADDASA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271308766 191064909 /nfs/dbraw/zinc/06/49/09/191064909.db2.gz WGEJPTUVQYUJOQ-JRCXTIHVSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000091485412 180167167 /nfs/dbraw/zinc/16/71/67/180167167.db2.gz QVVQWWPFMFMRKN-CMPLNLGQSA-N 1 0 261.325 2.632 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNCC[C@H]1C ZINC000414910965 233397561 /nfs/dbraw/zinc/39/75/61/233397561.db2.gz CXNQQBORXFQLKA-UMVBOHGHSA-N 1 0 291.395 2.504 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000599000847 350357424 /nfs/dbraw/zinc/35/74/24/350357424.db2.gz XRVYHYKMVXXGTQ-APOZVJGGSA-N 1 0 270.354 2.558 20 5 CFBDRO CO[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599039594 350362896 /nfs/dbraw/zinc/36/28/96/350362896.db2.gz BGUVBXLVDCRZFQ-LBPRGKRZSA-N 1 0 287.319 2.758 20 5 CFBDRO CN(CCCCCO)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599076682 350371779 /nfs/dbraw/zinc/37/17/79/350371779.db2.gz DRXSEAPSZNLMLT-UHFFFAOYSA-N 1 0 289.335 2.742 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599093832 350374743 /nfs/dbraw/zinc/37/47/43/350374743.db2.gz WXNWPDHJVCJLBY-NQBHXWOUSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000599139410 350383128 /nfs/dbraw/zinc/38/31/28/350383128.db2.gz NWALNOUJMZPAML-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO O=C(CC[NH+](C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599600160 350463121 /nfs/dbraw/zinc/46/31/21/350463121.db2.gz OLXWSUWSKLXIOU-UHFFFAOYSA-N 1 0 289.335 2.550 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000599627800 350466992 /nfs/dbraw/zinc/46/69/92/350466992.db2.gz ZHWGYKSPFPTMQI-QOBXEIRBSA-N 1 0 282.315 2.635 20 5 CFBDRO CC[C@H]([NH2+][C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392409 180376311 /nfs/dbraw/zinc/37/63/11/180376311.db2.gz IYWUUKRWTTZOTF-UONOGXRCSA-N 1 0 266.341 2.652 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000599672568 350477221 /nfs/dbraw/zinc/47/72/21/350477221.db2.gz GMYFLKUWCQVQGI-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000599673322 350478432 /nfs/dbraw/zinc/47/84/32/350478432.db2.gz YVNNINMKAKKBRK-ZDUSSCGKSA-N 1 0 295.358 2.633 20 5 CFBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000092407210 180380377 /nfs/dbraw/zinc/38/03/77/180380377.db2.gz NTGQDMORTDIYCB-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000600680012 350596477 /nfs/dbraw/zinc/59/64/77/350596477.db2.gz QYWZQZICECNODV-IPYPFGDCSA-N 1 0 291.395 2.646 20 5 CFBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600707519 350598454 /nfs/dbraw/zinc/59/84/54/350598454.db2.gz HWJIUACTQKDTEE-SMDDNHRTSA-N 1 0 275.352 2.530 20 5 CFBDRO CC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600711055 350599231 /nfs/dbraw/zinc/59/92/31/350599231.db2.gz QOMWAZCFYQBGTD-KYOSRNDESA-N 1 0 277.368 2.776 20 5 CFBDRO CCC[NH+]1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000109786371 186273012 /nfs/dbraw/zinc/27/30/12/186273012.db2.gz JLUQNTNDOORZME-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO O=[N+]([O-])c1sccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000601116038 350672619 /nfs/dbraw/zinc/67/26/19/350672619.db2.gz MZVRDDOASBLEMD-JTQLQIEISA-N 1 0 267.354 2.553 20 5 CFBDRO C[C@]1(CNc2ccnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601127502 350675990 /nfs/dbraw/zinc/67/59/90/350675990.db2.gz HWUGPMMPYJJXPP-OAHLLOKOSA-N 1 0 287.319 2.546 20 5 CFBDRO CC(C)(F)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000601137061 350679214 /nfs/dbraw/zinc/67/92/14/350679214.db2.gz RMUJNJOEECAYGM-ALCCZGGFSA-N 1 0 252.289 2.946 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601139794 350679801 /nfs/dbraw/zinc/67/98/01/350679801.db2.gz KONKZJFIEPYHHB-BETUJISGSA-N 1 0 278.352 2.579 20 5 CFBDRO CCC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000601139489 350680082 /nfs/dbraw/zinc/68/00/82/350680082.db2.gz DDRWOOUIWIQJSW-CYBMUJFWSA-N 1 0 266.341 2.544 20 5 CFBDRO C[C@](CO)([NH2+]Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601149322 350682052 /nfs/dbraw/zinc/68/20/52/350682052.db2.gz LBYKIMXRXTZHDP-MRXNPFEDSA-N 1 0 286.331 2.592 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601159214 350684464 /nfs/dbraw/zinc/68/44/64/350684464.db2.gz DPCJGXXFWQEGSA-RKDXNWHRSA-N 1 0 260.215 2.635 20 5 CFBDRO O=[N+]([O-])c1sccc1NCC12CCC[NH+]1CCC2 ZINC000601156761 350684651 /nfs/dbraw/zinc/68/46/51/350684651.db2.gz ZBMVNHVZKGOXQX-UHFFFAOYSA-N 1 0 267.354 2.697 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)O1 ZINC000601299577 350719084 /nfs/dbraw/zinc/71/90/84/350719084.db2.gz RSZQKSJUJGQNQR-OAACRXHESA-N 1 0 276.336 2.738 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](C)O)CC1 ZINC000111287981 186390906 /nfs/dbraw/zinc/39/09/06/186390906.db2.gz UUXUAOPJAITXOD-NEPJUHHUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111295909 186392457 /nfs/dbraw/zinc/39/24/57/186392457.db2.gz BVNXESSDAPFRQX-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481242 350901107 /nfs/dbraw/zinc/90/11/07/350901107.db2.gz CGNOBKHWEIEQKF-DGCLKSJQSA-N 1 0 280.372 2.729 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000602547211 350919916 /nfs/dbraw/zinc/91/99/16/350919916.db2.gz BHWWZFDMRRZPHG-KWQFWETISA-N 1 0 286.278 2.737 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000602557898 350923687 /nfs/dbraw/zinc/92/36/87/350923687.db2.gz MGSCRWSRXSMBAY-MWLCHTKSSA-N 1 0 270.279 2.771 20 5 CFBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000602564580 350927051 /nfs/dbraw/zinc/92/70/51/350927051.db2.gz UNZLCDUVVPVACV-ZDUSSCGKSA-N 1 0 285.347 2.926 20 5 CFBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1O ZINC000602573594 350929436 /nfs/dbraw/zinc/92/94/36/350929436.db2.gz SOPUXMWYDUNZSO-HOTGVXAUSA-N 1 0 292.379 2.668 20 5 CFBDRO CO[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000602579192 350931687 /nfs/dbraw/zinc/93/16/87/350931687.db2.gz BMOFMOBMHWYGIF-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000602433079 350880016 /nfs/dbraw/zinc/88/00/16/350880016.db2.gz PKZNDRVGMOUOKR-LBPRGKRZSA-N 1 0 279.340 2.605 20 5 CFBDRO CC[C@](C)(C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000602441257 350883249 /nfs/dbraw/zinc/88/32/49/350883249.db2.gz WLWFJMRBJRDKMC-CQSZACIVSA-N 1 0 266.341 2.842 20 5 CFBDRO CC(C)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602443640 350885324 /nfs/dbraw/zinc/88/53/24/350885324.db2.gz HACQZTHRYLXFQO-UHFFFAOYSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1cccc(CN(C)Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC000602670092 350969558 /nfs/dbraw/zinc/96/95/58/350969558.db2.gz AEJHOMLWWGDQCM-UHFFFAOYSA-N 1 0 288.351 2.577 20 5 CFBDRO CC(F)(F)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673507 350972091 /nfs/dbraw/zinc/97/20/91/350972091.db2.gz VEGQSWIIGGYCRY-UHFFFAOYSA-N 1 0 285.250 2.871 20 5 CFBDRO CCC1([NH+](C)C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000602737502 351008173 /nfs/dbraw/zinc/00/81/73/351008173.db2.gz DABRRIGELWFEAL-UHFFFAOYSA-N 1 0 297.424 2.963 20 5 CFBDRO CCCc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000602684722 350977809 /nfs/dbraw/zinc/97/78/09/350977809.db2.gz RSZFUONWCLFFIS-UHFFFAOYSA-N 1 0 289.335 2.868 20 5 CFBDRO CCCC[C@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602695753 350983212 /nfs/dbraw/zinc/98/32/12/350983212.db2.gz IAPVRKBVIJGQNN-OAHLLOKOSA-N 1 0 280.368 2.668 20 5 CFBDRO CCCC[C@@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602695752 350983356 /nfs/dbraw/zinc/98/33/56/350983356.db2.gz IAPVRKBVIJGQNN-HNNXBMFYSA-N 1 0 280.368 2.668 20 5 CFBDRO C/C=C/C[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602731826 351004701 /nfs/dbraw/zinc/00/47/01/351004701.db2.gz YECSDFDSYGTCLA-PCAWENJQSA-N 1 0 278.356 2.507 20 5 CFBDRO CC(C)([NH2+]CCC[C@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000602611351 350945281 /nfs/dbraw/zinc/94/52/81/350945281.db2.gz KJXJOUGGXMQXJL-AWEZNQCLSA-N 1 0 278.352 2.989 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOCC2CCC2)cc1 ZINC000602617787 350948334 /nfs/dbraw/zinc/94/83/34/350948334.db2.gz NRYGWKWTBDWSSQ-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776759 351021426 /nfs/dbraw/zinc/02/14/26/351021426.db2.gz DFIJOLUSZUBSTB-YPMHNXCESA-N 1 0 280.372 2.729 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602802567 351031566 /nfs/dbraw/zinc/03/15/66/351031566.db2.gz QHVNUNQMYGVBCW-CYBMUJFWSA-N 1 0 274.324 2.569 20 5 CFBDRO Cn1cc(C[NH2+][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602804584 351032896 /nfs/dbraw/zinc/03/28/96/351032896.db2.gz JVIPQJIVFRKBBO-CQSZACIVSA-N 1 0 286.335 2.569 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807643 351033864 /nfs/dbraw/zinc/03/38/64/351033864.db2.gz ZJTUMXFSTCMHMU-KWCYVHTRSA-N 1 0 294.399 2.879 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000602810260 351034984 /nfs/dbraw/zinc/03/49/84/351034984.db2.gz GHUGASYGXCFXFQ-GMXVVIOVSA-N 1 0 280.372 2.514 20 5 CFBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602824187 351038154 /nfs/dbraw/zinc/03/81/54/351038154.db2.gz NMFGRTGVUQXLGP-LLVKDONJSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC000602838952 351042227 /nfs/dbraw/zinc/04/22/27/351042227.db2.gz DDAPHFJQLQIZIV-LBPRGKRZSA-N 1 0 282.388 2.904 20 5 CFBDRO COc1cc(CN(C)Cc2ccns2)ccc1[N+](=O)[O-] ZINC000602881271 351056526 /nfs/dbraw/zinc/05/65/26/351056526.db2.gz FLQRMYPYNLMTRI-UHFFFAOYSA-N 1 0 293.348 2.692 20 5 CFBDRO CCC[C@H]([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218965 351120225 /nfs/dbraw/zinc/12/02/25/351120225.db2.gz OQTLHKMQEAUPIE-PWSUYJOCSA-N 1 0 289.339 2.596 20 5 CFBDRO CC[C@]1(O)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602982248 351083858 /nfs/dbraw/zinc/08/38/58/351083858.db2.gz PMTSZOUVKJCMDI-WFASDCNBSA-N 1 0 278.352 2.893 20 5 CFBDRO CC[C@H]([NH3+])c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248400 351125271 /nfs/dbraw/zinc/12/52/71/351125271.db2.gz CLHFJNQSHRUAQV-GWCFXTLKSA-N 1 0 289.339 2.514 20 5 CFBDRO CN(CCCC[NH+]1CCCCC1)c1ncccc1[N+](=O)[O-] ZINC000603424420 351161771 /nfs/dbraw/zinc/16/17/71/351161771.db2.gz VFNLMPLFWIGPTE-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000603432592 351163994 /nfs/dbraw/zinc/16/39/94/351163994.db2.gz JFOZQRCVASUJSD-XUJVJEKNSA-N 1 0 277.368 2.543 20 5 CFBDRO CC[N@H+](CCSC)Cc1ccccc1[N+](=O)[O-] ZINC000603598549 351174895 /nfs/dbraw/zinc/17/48/95/351174895.db2.gz KMZXOGOTUFCFOJ-UHFFFAOYSA-N 1 0 254.355 2.780 20 5 CFBDRO CC(C)[N@H+](C)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603871516 351188220 /nfs/dbraw/zinc/18/82/20/351188220.db2.gz NWWNJBGQRLNYNC-UHFFFAOYSA-N 1 0 292.383 2.546 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000604409245 351211518 /nfs/dbraw/zinc/21/15/18/351211518.db2.gz IIETXWHBKJCUQV-UWVGGRQHSA-N 1 0 267.354 2.695 20 5 CFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000604408732 351211586 /nfs/dbraw/zinc/21/15/86/351211586.db2.gz CKKAMTSTYLJASR-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)s1 ZINC000604408766 351211634 /nfs/dbraw/zinc/21/16/34/351211634.db2.gz KYVXWGZAPOYROM-UHFFFAOYSA-N 1 0 269.370 2.944 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433482 351212550 /nfs/dbraw/zinc/21/25/50/351212550.db2.gz LNHSGCXHXVJPNH-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000604540032 351217764 /nfs/dbraw/zinc/21/77/64/351217764.db2.gz UBMXAVWQDSRYPC-LBPRGKRZSA-N 1 0 263.341 2.562 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2CCCC2)CC1 ZINC000609040106 351483975 /nfs/dbraw/zinc/48/39/75/351483975.db2.gz SQNGWSRXUBTFOD-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000609893408 351527043 /nfs/dbraw/zinc/52/70/43/351527043.db2.gz MDRJRHPHLHJFKI-SNVBAGLBSA-N 1 0 296.758 2.539 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000610162284 351535422 /nfs/dbraw/zinc/53/54/22/351535422.db2.gz PJZDLOHGCVFVKN-YUSALJHKSA-N 1 0 282.365 2.559 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610133297 351535963 /nfs/dbraw/zinc/53/59/63/351535963.db2.gz BOSMICVGOUJZAO-NEPJUHHUSA-N 1 0 264.325 2.704 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccsc1[N+](=O)[O-] ZINC000610282718 351549448 /nfs/dbraw/zinc/54/94/48/351549448.db2.gz JLNIXPALMCKOOL-NSHDSACASA-N 1 0 283.397 2.967 20 5 CFBDRO Cc1ccnc(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609669810 351514990 /nfs/dbraw/zinc/51/49/90/351514990.db2.gz IWYVYKGWLGGUFS-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610517752 351576429 /nfs/dbraw/zinc/57/64/29/351576429.db2.gz PIDNIROXTMHCBU-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1 ZINC000610804189 351610350 /nfs/dbraw/zinc/61/03/50/351610350.db2.gz MUOUTOJVUPLODX-ZFWWWQNUSA-N 1 0 291.395 2.600 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000611413066 351686086 /nfs/dbraw/zinc/68/60/86/351686086.db2.gz SKFUCRZIVSJFQC-NSHDSACASA-N 1 0 281.381 2.721 20 5 CFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000611433814 351689152 /nfs/dbraw/zinc/68/91/52/351689152.db2.gz XAKRBTGLCPXEIW-ZDUSSCGKSA-N 1 0 280.372 2.740 20 5 CFBDRO Cn1cc(C[N@H+]2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611521206 351703483 /nfs/dbraw/zinc/70/34/83/351703483.db2.gz VQHCUVKRIACEQN-UHFFFAOYSA-N 1 0 298.346 2.757 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337504 351669993 /nfs/dbraw/zinc/66/99/93/351669993.db2.gz VMLFBQZPWCXXHD-FZMZJTMJSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC1CC1 ZINC000611337502 351670170 /nfs/dbraw/zinc/67/01/70/351670170.db2.gz UXNCZWIOZYQWSP-YPMHNXCESA-N 1 0 278.352 2.715 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616719 351715253 /nfs/dbraw/zinc/71/52/53/351715253.db2.gz GUBKHSMRDZHOGG-ZDUSSCGKSA-N 1 0 292.383 2.527 20 5 CFBDRO CC(C)([NH2+]CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000291710734 198067087 /nfs/dbraw/zinc/06/70/87/198067087.db2.gz LIGRDOKMDUGJAD-UHFFFAOYSA-N 1 0 278.352 2.846 20 5 CFBDRO Cc1ccc(CN2CCOCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000611983989 351758445 /nfs/dbraw/zinc/75/84/45/351758445.db2.gz BGVGYKBIXVRAIJ-UHFFFAOYSA-N 1 0 276.336 2.516 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CO)CCCCC1 ZINC000612580709 351838891 /nfs/dbraw/zinc/83/88/91/351838891.db2.gz ZPZKMCDGWBYFRU-UHFFFAOYSA-N 1 0 292.379 2.936 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291758771 198083315 /nfs/dbraw/zinc/08/33/15/198083315.db2.gz LADDOHYJJPXBLO-DOMZBBRYSA-N 1 0 286.335 2.799 20 5 CFBDRO C[C@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123737041 187106488 /nfs/dbraw/zinc/10/64/88/187106488.db2.gz DRXJWZCTNPVZAK-XJKSGUPXSA-N 1 0 291.395 2.552 20 5 CFBDRO COc1cc(CN2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000613381627 351948415 /nfs/dbraw/zinc/94/84/15/351948415.db2.gz LYTUQIBQHNJOIH-CABZTGNLSA-N 1 0 280.299 2.727 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])s2)C1 ZINC000617454923 352566050 /nfs/dbraw/zinc/56/60/50/352566050.db2.gz PBIJBOUWQWMVGY-GHMZBOCLSA-N 1 0 281.381 2.577 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000271571956 191219538 /nfs/dbraw/zinc/21/95/38/191219538.db2.gz VYVURBBDCHRUJZ-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000135167495 187803047 /nfs/dbraw/zinc/80/30/47/187803047.db2.gz YUIKKGIENQCQAX-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000618197810 352736461 /nfs/dbraw/zinc/73/64/61/352736461.db2.gz AJVPSZVABCRVCE-OAHLLOKOSA-N 1 0 298.342 2.948 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3C3CC3)nc2c1 ZINC000618279278 352745663 /nfs/dbraw/zinc/74/56/63/352745663.db2.gz MBKZSAANWXMVRJ-CQSZACIVSA-N 1 0 286.335 2.846 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2CCC2)CC1 ZINC000273501682 192176688 /nfs/dbraw/zinc/17/66/88/192176688.db2.gz YUFJENQUKQSEOG-UHFFFAOYSA-N 1 0 289.379 2.573 20 5 CFBDRO CC/C=C\CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618759121 352878700 /nfs/dbraw/zinc/87/87/00/352878700.db2.gz XONVAJOGDPVCQR-ARJAWSKDSA-N 1 0 278.356 2.785 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000150847421 187929607 /nfs/dbraw/zinc/92/96/07/187929607.db2.gz NVNRKCIURMYROM-GFCCVEGCSA-N 1 0 295.408 2.574 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000150847459 187930021 /nfs/dbraw/zinc/93/00/21/187930021.db2.gz NVNRKCIURMYROM-LBPRGKRZSA-N 1 0 295.408 2.574 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152808899 188045632 /nfs/dbraw/zinc/04/56/32/188045632.db2.gz XXSDKTMVUCKWMU-ZDUSSCGKSA-N 1 0 279.384 2.896 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153925015 188111447 /nfs/dbraw/zinc/11/14/47/188111447.db2.gz OUIVCKNLPBTZKC-LBPRGKRZSA-N 1 0 297.786 2.632 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153925120 188111874 /nfs/dbraw/zinc/11/18/74/188111874.db2.gz OUIVCKNLPBTZKC-GFCCVEGCSA-N 1 0 297.786 2.632 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154478975 188145110 /nfs/dbraw/zinc/14/51/10/188145110.db2.gz WFWZLAFADHGUHC-ZBFHGGJFSA-N 1 0 292.379 2.667 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000154276816 188133133 /nfs/dbraw/zinc/13/31/33/188133133.db2.gz FDSOBJZXAOWLMG-AAEUAGOBSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000157718893 188334979 /nfs/dbraw/zinc/33/49/79/188334979.db2.gz LDJNVMLQLMARRG-NSHDSACASA-N 1 0 288.351 2.796 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CF)CC1 ZINC000295179300 199390117 /nfs/dbraw/zinc/39/01/17/199390117.db2.gz RLJGABAJRLVRNF-UHFFFAOYSA-N 1 0 282.315 2.785 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000271708871 191285184 /nfs/dbraw/zinc/28/51/84/191285184.db2.gz OBDLTBIMLQMCFN-ZDUSSCGKSA-N 1 0 288.351 2.612 20 5 CFBDRO CCOC(=O)CCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271728623 191294595 /nfs/dbraw/zinc/29/45/95/191294595.db2.gz MOYNMKMNFMYVET-LBPRGKRZSA-N 1 0 294.351 2.979 20 5 CFBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000271876728 191384827 /nfs/dbraw/zinc/38/48/27/191384827.db2.gz UCEMSRVAMUEGRV-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000211487051 540163837 /nfs/dbraw/zinc/16/38/37/540163837.db2.gz WMTXSUOIOIGMGU-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000272991480 192010612 /nfs/dbraw/zinc/01/06/12/192010612.db2.gz QEFPZOFKVDUYIX-SECBINFHSA-N 1 0 296.758 2.706 20 5 CFBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273007764 192015459 /nfs/dbraw/zinc/01/54/59/192015459.db2.gz BJTFJNLGNMIZOW-QWHCGFSZSA-N 1 0 278.352 2.890 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106430 283160870 /nfs/dbraw/zinc/16/08/70/283160870.db2.gz VFTYPKFVICRPGH-FZMZJTMJSA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817556 283160914 /nfs/dbraw/zinc/16/09/14/283160914.db2.gz MQZNIRAXWALJOB-AAEUAGOBSA-N 1 0 293.342 2.654 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000294596460 199101016 /nfs/dbraw/zinc/10/10/16/199101016.db2.gz DAXOKCAJWLKOHX-QMTHXVAHSA-N 1 0 295.383 2.889 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420285937 236601007 /nfs/dbraw/zinc/60/10/07/236601007.db2.gz PUHDQRUIGBUCBF-RYUDHWBXSA-N 1 0 278.356 2.536 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420286668 236601640 /nfs/dbraw/zinc/60/16/40/236601640.db2.gz QOYBZBYBMJCNTN-RYUDHWBXSA-N 1 0 263.341 2.833 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000294895925 199237281 /nfs/dbraw/zinc/23/72/81/199237281.db2.gz REDAFKQDPNQNSY-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000297151519 200099280 /nfs/dbraw/zinc/09/92/80/200099280.db2.gz CJQCWCAMTIDATC-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO CCC[C@@H](C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348889195 283484136 /nfs/dbraw/zinc/48/41/36/283484136.db2.gz CILSMALRWRSVHH-GFCCVEGCSA-N 1 0 265.357 2.796 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCOCC2CC2)cc1[N+](=O)[O-] ZINC000178009274 189085087 /nfs/dbraw/zinc/08/50/87/189085087.db2.gz GWLRAHGXWVWKGR-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1cccc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000179584196 189204303 /nfs/dbraw/zinc/20/43/03/189204303.db2.gz GQPVNHKNCVZWPX-UHFFFAOYSA-N 1 0 288.351 2.625 20 5 CFBDRO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327603 238381694 /nfs/dbraw/zinc/38/16/94/238381694.db2.gz LLWJAZBOFMLEJO-SWLSCSKDSA-N 1 0 277.368 2.635 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000181476632 189297693 /nfs/dbraw/zinc/29/76/93/189297693.db2.gz MQUXCYQQDNZQRM-AWEZNQCLSA-N 1 0 280.368 2.524 20 5 CFBDRO Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301414666 201000908 /nfs/dbraw/zinc/00/09/08/201000908.db2.gz BBAXXLWWWBPLCB-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cnc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301463231 201017442 /nfs/dbraw/zinc/01/74/42/201017442.db2.gz VNXIIANMHRNIKO-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000301461135 201017653 /nfs/dbraw/zinc/01/76/53/201017653.db2.gz IZQAHOVFDOWMJV-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000301527552 201047931 /nfs/dbraw/zinc/04/79/31/201047931.db2.gz IKLDUTFKCZWYKJ-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[NH+]1CCC(N(C)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000301539397 201057360 /nfs/dbraw/zinc/05/73/60/201057360.db2.gz BDABMAIZOSNFCF-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301635560 201107124 /nfs/dbraw/zinc/10/71/24/201107124.db2.gz DZJRDZQHKLOHIA-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301657186 201118403 /nfs/dbraw/zinc/11/84/03/201118403.db2.gz SHDKWAINMZNGOA-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000301655247 201118997 /nfs/dbraw/zinc/11/89/97/201118997.db2.gz UUSIZHUYEXEDBC-NSHDSACASA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662013 201122575 /nfs/dbraw/zinc/12/25/75/201122575.db2.gz UVMOJBRJBXWGKL-NWDGAFQWSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183563076 189362386 /nfs/dbraw/zinc/36/23/86/189362386.db2.gz MGQSWABXHFGPRT-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000184538482 189388722 /nfs/dbraw/zinc/38/87/22/189388722.db2.gz ROCLPJKSGZSOIX-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO Cc1ccc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301832150 201223025 /nfs/dbraw/zinc/22/30/25/201223025.db2.gz TWHHZRDKFNSBQV-CQSZACIVSA-N 1 0 263.341 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426461165 239224410 /nfs/dbraw/zinc/22/44/10/239224410.db2.gz PJAKPOIAVIBFCB-QWHCGFSZSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443793705 241089124 /nfs/dbraw/zinc/08/91/24/241089124.db2.gz YIRACXHQPBWVOH-DETPVDSQSA-N 1 0 292.379 2.885 20 5 CFBDRO CCC[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444594659 241152044 /nfs/dbraw/zinc/15/20/44/241152044.db2.gz KJACRUFINSEIAP-UHFFFAOYSA-N 1 0 262.313 2.703 20 5 CFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000444650755 241161894 /nfs/dbraw/zinc/16/18/94/241161894.db2.gz NGWPYTXTHWALCM-UHFFFAOYSA-N 1 0 274.324 2.703 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000444230606 241127665 /nfs/dbraw/zinc/12/76/65/241127665.db2.gz ZCYXVNNWJJCPKU-JQWIXIFHSA-N 1 0 291.351 2.572 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580829 241386928 /nfs/dbraw/zinc/38/69/28/241386928.db2.gz QJASYHBWKLFYMR-JHJVBQTASA-N 1 0 292.383 2.911 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447516779 241379212 /nfs/dbraw/zinc/37/92/12/241379212.db2.gz HWSHESZZXNRLIC-DRZSPHRISA-N 1 0 278.356 2.663 20 5 CFBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000446936797 241341697 /nfs/dbraw/zinc/34/16/97/241341697.db2.gz ADYHRRDETPOTJP-OAHLLOKOSA-N 1 0 278.352 2.890 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580827 241388185 /nfs/dbraw/zinc/38/81/85/241388185.db2.gz QJASYHBWKLFYMR-AGIUHOORSA-N 1 0 292.383 2.911 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187614 241754467 /nfs/dbraw/zinc/75/44/67/241754467.db2.gz KZODHGHBQMZKJA-QWRGUYRKSA-N 1 0 268.382 2.867 20 5 CFBDRO CCC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449375658 241882595 /nfs/dbraw/zinc/88/25/95/241882595.db2.gz JEAHJFOQLMAWJV-JSGCOSHPSA-N 1 0 280.368 2.931 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000449580871 242046240 /nfs/dbraw/zinc/04/62/40/242046240.db2.gz VBVQTHNEOHKVQK-UHFFFAOYSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCC1(C)C ZINC000449621696 242069132 /nfs/dbraw/zinc/06/91/32/242069132.db2.gz ACOZLSURTLYQPG-WFASDCNBSA-N 1 0 292.379 2.931 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cs1 ZINC000449552886 242025028 /nfs/dbraw/zinc/02/50/28/242025028.db2.gz KGOQTCMFTKZVIP-JHJVBQTASA-N 1 0 296.392 2.639 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000449558315 242029384 /nfs/dbraw/zinc/02/93/84/242029384.db2.gz WXJZXWYDHCUIET-LBPRGKRZSA-N 1 0 279.384 2.758 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)C(C)(C)O ZINC000449720435 242118994 /nfs/dbraw/zinc/11/89/94/242118994.db2.gz IPLBMIZKDVFZNU-UHFFFAOYSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000449651291 242093112 /nfs/dbraw/zinc/09/31/12/242093112.db2.gz VQYXZSHNBICXAK-KYOSRNDESA-N 1 0 280.368 2.665 20 5 CFBDRO O=[N+]([O-])c1cc(CNc2ccc3c([nH+]2)CCC3)cs1 ZINC000449659189 242094578 /nfs/dbraw/zinc/09/45/78/242094578.db2.gz ARIQTWCJICMEEE-UHFFFAOYSA-N 1 0 275.333 2.574 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781007 242155747 /nfs/dbraw/zinc/15/57/47/242155747.db2.gz WNGCDDIRTKHDAJ-CQSZACIVSA-N 1 0 278.352 2.843 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000449781736 242160366 /nfs/dbraw/zinc/16/03/66/242160366.db2.gz JLOYWBZCZQVRSC-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450273204 242335374 /nfs/dbraw/zinc/33/53/74/242335374.db2.gz AYRLQPMBJNQZQO-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000343460674 294318996 /nfs/dbraw/zinc/31/89/96/294318996.db2.gz FMXGAEYLJRAIAQ-GRYCIOLGSA-N 1 0 266.341 2.977 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[NH+]1CCCC1 ZINC000450223067 242314213 /nfs/dbraw/zinc/31/42/13/242314213.db2.gz JAUCLVIWVRQZJO-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO C[C@H](O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548470 242882477 /nfs/dbraw/zinc/88/24/77/242882477.db2.gz NMMRYFZUOBHWOP-JSGCOSHPSA-N 1 0 278.352 2.545 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000277697074 299391100 /nfs/dbraw/zinc/39/11/00/299391100.db2.gz HWNLDXFPUMIJMN-UHIISALHSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330691288 203121930 /nfs/dbraw/zinc/12/19/30/203121930.db2.gz BCJICWUEUQNCJX-CABCVRRESA-N 1 0 292.379 2.824 20 5 CFBDRO COc1cc(NCC[C@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860229 189788630 /nfs/dbraw/zinc/78/86/30/189788630.db2.gz FSGDTQBFXUKOMP-SNVBAGLBSA-N 1 0 297.330 2.544 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000276182769 193236030 /nfs/dbraw/zinc/23/60/30/193236030.db2.gz FREVWBHXXDMYND-UHFFFAOYSA-N 1 0 280.368 2.934 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1F ZINC000276319162 193286390 /nfs/dbraw/zinc/28/63/90/193286390.db2.gz ODONFVVYUXVGDU-LBPRGKRZSA-N 1 0 294.326 2.735 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000276902857 193494629 /nfs/dbraw/zinc/49/46/29/193494629.db2.gz DNEWZDYOSJZOTD-GJZGRUSLSA-N 1 0 294.351 2.521 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000459798866 245332462 /nfs/dbraw/zinc/33/24/62/245332462.db2.gz YDUJRPDICKCYSF-QWRGUYRKSA-N 1 0 282.365 2.704 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459799714 245334269 /nfs/dbraw/zinc/33/42/69/245334269.db2.gz YZJXSKHFWKQDIU-GJZGRUSLSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956038 245376166 /nfs/dbraw/zinc/37/61/66/245376166.db2.gz GNQYMFAUVXTJPU-QMTHXVAHSA-N 1 0 293.342 2.937 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000023745461 372267197 /nfs/dbraw/zinc/26/71/97/372267197.db2.gz TWPKIWBABZSRSC-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023991620 372268467 /nfs/dbraw/zinc/26/84/67/372268467.db2.gz DBFSQGREOMPROF-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000027110342 372335563 /nfs/dbraw/zinc/33/55/63/372335563.db2.gz NYTSGQGHNKZLKO-UHFFFAOYSA-N 1 0 291.351 2.654 20 5 CFBDRO CCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000035014105 372527671 /nfs/dbraw/zinc/52/76/71/372527671.db2.gz IFQLFNHQRBHKGQ-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCOCC2)cc1[N+](=O)[O-] ZINC000036308509 372572075 /nfs/dbraw/zinc/57/20/75/372572075.db2.gz DPCGNUCWNVQLKA-LLVKDONJSA-N 1 0 264.325 2.733 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037154679 372657165 /nfs/dbraw/zinc/65/71/65/372657165.db2.gz WYZOALKDISKABT-VXGBXAGGSA-N 1 0 274.324 2.531 20 5 CFBDRO CC(C)(C)[NH+]1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000037786583 372709752 /nfs/dbraw/zinc/70/97/52/372709752.db2.gz RCGIHDVGJKRWJZ-UHFFFAOYSA-N 1 0 291.395 2.947 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000042815102 372958465 /nfs/dbraw/zinc/95/84/65/372958465.db2.gz IPDYIEQYCPABSA-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000048336920 373164909 /nfs/dbraw/zinc/16/49/09/373164909.db2.gz XHQPNVFOJJIBBH-ZIAGYGMSSA-N 1 0 279.315 2.773 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049093619 373265679 /nfs/dbraw/zinc/26/56/79/373265679.db2.gz SDFMMLSOGHXPAV-VXGBXAGGSA-N 1 0 266.341 2.998 20 5 CFBDRO CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480656 373304720 /nfs/dbraw/zinc/30/47/20/373304720.db2.gz AHAPVMSFKZVMAX-UHFFFAOYSA-N 1 0 285.731 2.529 20 5 CFBDRO COC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963841 373337357 /nfs/dbraw/zinc/33/73/57/373337357.db2.gz FJZGFADNXYFPKI-SECBINFHSA-N 1 0 272.732 2.620 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926206 373458949 /nfs/dbraw/zinc/45/89/49/373458949.db2.gz YRCLPNBYPLMOPX-KBPBESRZSA-N 1 0 264.325 2.642 20 5 CFBDRO CC(C)CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000053361041 373473663 /nfs/dbraw/zinc/47/36/63/373473663.db2.gz CVLOQIVCDUUYFS-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417568 383693984 /nfs/dbraw/zinc/69/39/84/383693984.db2.gz RRRUFWMCACTAMP-SWLSCSKDSA-N 1 0 289.379 2.514 20 5 CFBDRO CCC[NH+](CCC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351232 373759500 /nfs/dbraw/zinc/75/95/00/373759500.db2.gz RJPTWFHLBUYGQS-AWEZNQCLSA-N 1 0 266.341 2.750 20 5 CFBDRO C[NH2+]CC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000063166261 373788266 /nfs/dbraw/zinc/78/82/66/373788266.db2.gz XTJBDRUHJQRHSD-UHFFFAOYSA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000065586796 373889891 /nfs/dbraw/zinc/88/98/91/373889891.db2.gz HSRKZSXAHAIOAT-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000065961473 373907177 /nfs/dbraw/zinc/90/71/77/373907177.db2.gz RDWUPOSFMJVKPL-UHFFFAOYSA-N 1 0 290.323 2.733 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000337312402 220246912 /nfs/dbraw/zinc/24/69/12/220246912.db2.gz VQAFGCFGTBARED-VXGBXAGGSA-N 1 0 286.278 2.845 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000069081646 374045133 /nfs/dbraw/zinc/04/51/33/374045133.db2.gz PCVRLIWUWHBOCU-UHFFFAOYSA-N 1 0 283.397 2.572 20 5 CFBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC1 ZINC000070015018 374116435 /nfs/dbraw/zinc/11/64/35/374116435.db2.gz JOTNVBQCKGNVQT-UHFFFAOYSA-N 1 0 292.335 2.693 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076071849 374528538 /nfs/dbraw/zinc/52/85/38/374528538.db2.gz CKPZTSQOZQEBSW-CYBMUJFWSA-N 1 0 266.366 2.922 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000079618941 374622725 /nfs/dbraw/zinc/62/27/25/374622725.db2.gz OQJCWBHSYGNHCV-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)O ZINC000079618988 374622852 /nfs/dbraw/zinc/62/28/52/374622852.db2.gz BGFMPZMHQRWTLV-UHFFFAOYSA-N 1 0 286.759 2.841 20 5 CFBDRO CC[C@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000079737246 374628872 /nfs/dbraw/zinc/62/88/72/374628872.db2.gz DTLCVPSQHGEJDE-SNVBAGLBSA-N 1 0 272.732 2.763 20 5 CFBDRO CCC(CC)(CC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000081156365 374687845 /nfs/dbraw/zinc/68/78/45/374687845.db2.gz YUTRQIPBHGQYQY-UHFFFAOYSA-N 1 0 293.367 2.752 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571536297 383703670 /nfs/dbraw/zinc/70/36/70/383703670.db2.gz CMAOIDZVIBURGA-IUODEOHRSA-N 1 0 291.395 2.902 20 5 CFBDRO CC[C@H]([NH2+]Cc1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000090224364 375006211 /nfs/dbraw/zinc/00/62/11/375006211.db2.gz BALLIIRBNCQVTK-HNNXBMFYSA-N 1 0 288.351 2.878 20 5 CFBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000090533593 375019627 /nfs/dbraw/zinc/01/96/27/375019627.db2.gz GQNGNSSGQQHNAI-PWSUYJOCSA-N 1 0 288.351 2.908 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000090794598 375027956 /nfs/dbraw/zinc/02/79/56/375027956.db2.gz IJZYOQDKRQQYQZ-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097771 375187720 /nfs/dbraw/zinc/18/77/20/375187720.db2.gz MLUZRANANKINRF-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093337604 375215049 /nfs/dbraw/zinc/21/50/49/375215049.db2.gz QCAGSBCREHBACK-CQSZACIVSA-N 1 0 278.352 2.762 20 5 CFBDRO CSCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093509473 375260159 /nfs/dbraw/zinc/26/01/59/375260159.db2.gz ZHWPWRJNXUQCJF-UHFFFAOYSA-N 1 0 254.355 2.698 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774763 375377388 /nfs/dbraw/zinc/37/73/88/375377388.db2.gz KKKMOEFTBBKVGL-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000098135136 375607567 /nfs/dbraw/zinc/60/75/67/375607567.db2.gz FTUUERVNXOVFPY-HNNXBMFYSA-N 1 0 278.352 2.984 20 5 CFBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000501784516 247106967 /nfs/dbraw/zinc/10/69/67/247106967.db2.gz HFDABCXPKIVMOF-QWHCGFSZSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000111636897 375860735 /nfs/dbraw/zinc/86/07/35/375860735.db2.gz KQMJRSQCKROKAF-SECBINFHSA-N 1 0 292.257 2.824 20 5 CFBDRO COCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000112018231 375879648 /nfs/dbraw/zinc/87/96/48/375879648.db2.gz PTKDNJFCAHHCFY-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCCCC1 ZINC000112590170 375932091 /nfs/dbraw/zinc/93/20/91/375932091.db2.gz MICTZVMRCUCBLJ-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO C[C@H]1SCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000118415042 376294659 /nfs/dbraw/zinc/29/46/59/376294659.db2.gz ZFJYEYQUCAIFGO-VXGBXAGGSA-N 1 0 296.392 2.799 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000263733827 190075823 /nfs/dbraw/zinc/07/58/23/190075823.db2.gz YREBXRIGOWZFMI-ZDUSSCGKSA-N 1 0 280.324 2.500 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](C)OC ZINC000263839652 190081675 /nfs/dbraw/zinc/08/16/75/190081675.db2.gz YBWPZLFNFHQHLW-NSHDSACASA-N 1 0 282.340 2.508 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000120028634 376531390 /nfs/dbraw/zinc/53/13/90/376531390.db2.gz HXIZKLNBEGVXGG-NSHDSACASA-N 1 0 252.339 2.532 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000120604960 376652975 /nfs/dbraw/zinc/65/29/75/376652975.db2.gz XEIJBTDKCWDLGV-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO Cn1cc(C[NH2+]C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264500822 190113868 /nfs/dbraw/zinc/11/38/68/190113868.db2.gz IIXLQXLBGULNFP-UHFFFAOYSA-N 1 0 286.335 2.637 20 5 CFBDRO C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000121213049 376783983 /nfs/dbraw/zinc/78/39/83/376783983.db2.gz MSESVOULNFDIJZ-JTQLQIEISA-N 1 0 292.360 2.794 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000121738750 376896169 /nfs/dbraw/zinc/89/61/69/376896169.db2.gz PXXWBEJQFBSEAQ-ZJUUUORDSA-N 1 0 299.321 2.792 20 5 CFBDRO CCn1nccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125219371 377128621 /nfs/dbraw/zinc/12/86/21/377128621.db2.gz BGEMTDNLFGCCLI-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264913042 190144303 /nfs/dbraw/zinc/14/43/03/190144303.db2.gz FUFFHEDMGYNAHM-JTQLQIEISA-N 1 0 283.759 2.636 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129547736 377442622 /nfs/dbraw/zinc/44/26/22/377442622.db2.gz UHMQXNHKEWPFNJ-GZBFAFLISA-N 1 0 292.379 2.931 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129757101 377469924 /nfs/dbraw/zinc/46/99/24/377469924.db2.gz BXZGWXKZHHWKKF-JTQLQIEISA-N 1 0 284.747 2.539 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059011 190154940 /nfs/dbraw/zinc/15/49/40/190154940.db2.gz RZOGMXVYODOCRG-GJZGRUSLSA-N 1 0 278.352 2.720 20 5 CFBDRO Cc1c(CN2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000265060393 190155326 /nfs/dbraw/zinc/15/53/26/190155326.db2.gz YPRKUESZZCTWPS-UHFFFAOYSA-N 1 0 289.379 2.573 20 5 CFBDRO CCOCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130360416 377545534 /nfs/dbraw/zinc/54/55/34/377545534.db2.gz AFXZHFJJSXKYKK-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1ccnc(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000265176766 190163540 /nfs/dbraw/zinc/16/35/40/190163540.db2.gz IEGIRQKKURVHIV-LLVKDONJSA-N 1 0 290.323 2.606 20 5 CFBDRO C[N@H+](CCNc1c2ccccc2ncc1[N+](=O)[O-])C1CC1 ZINC000130381790 377547525 /nfs/dbraw/zinc/54/75/25/377547525.db2.gz GCTCCZDIDIVPNA-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO COC1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000265261777 190170365 /nfs/dbraw/zinc/17/03/65/190170365.db2.gz YKJNHQRQAKLYRG-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO CCn1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000265459924 190183665 /nfs/dbraw/zinc/18/36/65/190183665.db2.gz GMANAZLXERQDIM-FNORWQNLSA-N 1 0 286.335 2.614 20 5 CFBDRO CCOc1cccc(NCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000134900805 378059742 /nfs/dbraw/zinc/05/97/42/378059742.db2.gz UNMMJAVZBXFJEP-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000135141066 378089524 /nfs/dbraw/zinc/08/95/24/378089524.db2.gz BEMDRPHFZRJINM-WDEREUQCSA-N 1 0 293.367 2.549 20 5 CFBDRO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136807447 378210288 /nfs/dbraw/zinc/21/02/88/378210288.db2.gz GJYIFRWMEOZZMT-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO Cc1cc(-c2nc(C3([NH3+])CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000137135479 378219657 /nfs/dbraw/zinc/21/96/57/378219657.db2.gz GRRLDMGIQRCMCH-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000135699955 378158033 /nfs/dbraw/zinc/15/80/33/378158033.db2.gz KFRBCZKFJLQBCS-LBPRGKRZSA-N 1 0 266.366 2.888 20 5 CFBDRO CC[C@@]1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135734121 378161714 /nfs/dbraw/zinc/16/17/14/378161714.db2.gz MATFJLJBYZPGNC-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152732314 378441240 /nfs/dbraw/zinc/44/12/40/378441240.db2.gz KVGVRPSHTXMBPI-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330817134 378598196 /nfs/dbraw/zinc/59/81/96/378598196.db2.gz GKAIYQTWZLGKJF-AGIUHOORSA-N 1 0 294.399 2.879 20 5 CFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331270845 378660872 /nfs/dbraw/zinc/66/08/72/378660872.db2.gz AVCSKJVTIPPCFY-LALPHHSUSA-N 1 0 278.352 2.576 20 5 CFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295222 378665575 /nfs/dbraw/zinc/66/55/75/378665575.db2.gz SGRCUQQRGYXSGU-LALPHHSUSA-N 1 0 278.352 2.576 20 5 CFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000331169287 378643664 /nfs/dbraw/zinc/64/36/64/378643664.db2.gz NSMOBXRMPOPSPZ-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H](C)C1 ZINC000332315749 378746045 /nfs/dbraw/zinc/74/60/45/378746045.db2.gz YLCFYGQSVKPGIC-RYUDHWBXSA-N 1 0 264.325 2.624 20 5 CFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000331764102 378714160 /nfs/dbraw/zinc/71/41/60/378714160.db2.gz KZOUJGBMXYUUIU-UHFFFAOYSA-N 1 0 274.324 2.846 20 5 CFBDRO CC(C)CC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332716257 378794586 /nfs/dbraw/zinc/79/45/86/378794586.db2.gz QFOJDIJDGBSRFP-INIZCTEOSA-N 1 0 292.379 2.750 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000161473304 378849648 /nfs/dbraw/zinc/84/96/48/378849648.db2.gz KLCFACVADFACFW-LBPRGKRZSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163488936 378976884 /nfs/dbraw/zinc/97/68/84/378976884.db2.gz SEYIPTPMYNOWLA-AGIUHOORSA-N 1 0 277.368 2.573 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000278587307 194058310 /nfs/dbraw/zinc/05/83/10/194058310.db2.gz GNVMMDMFRNLUKJ-UHFFFAOYSA-N 1 0 290.363 2.627 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278584692 194056462 /nfs/dbraw/zinc/05/64/62/194056462.db2.gz DLVMZLXDCJODOT-ONGXEEELSA-N 1 0 274.324 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CC=CCC3)nc2c1 ZINC000278689743 194105083 /nfs/dbraw/zinc/10/50/83/194105083.db2.gz MTWRIZWKCAOUFZ-LLVKDONJSA-N 1 0 286.335 2.917 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000278713715 194116819 /nfs/dbraw/zinc/11/68/19/194116819.db2.gz IGFBFQQPIZZQCX-CHWSQXEVSA-N 1 0 280.368 2.667 20 5 CFBDRO CC(C)OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168879063 379097406 /nfs/dbraw/zinc/09/74/06/379097406.db2.gz ILGOMYBUVVOQEU-NSHDSACASA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1c[nH]nc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289462673 197358792 /nfs/dbraw/zinc/35/87/92/197358792.db2.gz IIMIOXQTFXOLPC-LLVKDONJSA-N 1 0 274.324 2.786 20 5 CFBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266542935 190265711 /nfs/dbraw/zinc/26/57/11/190265711.db2.gz QOJMBJPWZPJDLM-VXGBXAGGSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000171734416 379389896 /nfs/dbraw/zinc/38/98/96/379389896.db2.gz OXGKQNYXGBCBOS-NSHDSACASA-N 1 0 294.351 2.805 20 5 CFBDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000267064034 190300504 /nfs/dbraw/zinc/30/05/04/190300504.db2.gz HJRUFUDLGDEXKT-NSHDSACASA-N 1 0 259.309 2.784 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267010995 190296554 /nfs/dbraw/zinc/29/65/54/190296554.db2.gz MKWVGEHULLKFIK-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO Cc1ccnc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267232919 190313517 /nfs/dbraw/zinc/31/35/17/190313517.db2.gz FXAPMPJHZXUMQB-NEPJUHHUSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000267295340 190319507 /nfs/dbraw/zinc/31/95/07/190319507.db2.gz SLFQXOXEVGHGSV-VXGBXAGGSA-N 1 0 278.356 2.583 20 5 CFBDRO COc1ccc(OCC[N@H+](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000173530840 379748660 /nfs/dbraw/zinc/74/86/60/379748660.db2.gz GNWOGOZKPGIHEL-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267646527 190343814 /nfs/dbraw/zinc/34/38/14/190343814.db2.gz WOWIDZLXQKSGPA-VIFPVBQESA-N 1 0 261.281 2.578 20 5 CFBDRO CC[C@H]([NH2+]Cc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000175051275 379986939 /nfs/dbraw/zinc/98/69/39/379986939.db2.gz RHDJQYQWSVIOQI-AWEZNQCLSA-N 1 0 274.324 2.569 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CC(O)C1 ZINC000432361909 383742557 /nfs/dbraw/zinc/74/25/57/383742557.db2.gz FQAOVVPBQIZEGQ-GHXNOFRVSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000268143467 190380350 /nfs/dbraw/zinc/38/03/50/190380350.db2.gz LDKFIUMXYXIEOH-XPTSAGLGSA-N 1 0 279.315 2.629 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2C2CCCCC2)n1 ZINC000176212531 380195310 /nfs/dbraw/zinc/19/53/10/380195310.db2.gz CTGGTVGKTBGWFV-CQSZACIVSA-N 1 0 292.383 2.836 20 5 CFBDRO CC[C@H](C)[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176231827 380198995 /nfs/dbraw/zinc/19/89/95/380198995.db2.gz NVMANCPEWMNFGP-RYUDHWBXSA-N 1 0 280.372 2.690 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000178309501 380433332 /nfs/dbraw/zinc/43/33/32/380433332.db2.gz NKCNNUZXOYKIBF-ZDUSSCGKSA-N 1 0 277.368 2.650 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268869009 190444406 /nfs/dbraw/zinc/44/44/06/190444406.db2.gz TZFBCAWUZHISRN-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000400665449 380864855 /nfs/dbraw/zinc/86/48/55/380864855.db2.gz ZKHOGVKENQTNCJ-LBPRGKRZSA-N 1 0 264.325 2.501 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCC[C@@H]2CCOC2)cs1 ZINC000402048676 380880455 /nfs/dbraw/zinc/88/04/55/380880455.db2.gz MAIVNTBSPCAEHO-SNVBAGLBSA-N 1 0 270.354 2.563 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287634136 380893474 /nfs/dbraw/zinc/89/34/74/380893474.db2.gz UHBKLVOUWHZVOY-OBJOEFQTSA-N 1 0 278.352 2.918 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000341287194 380902327 /nfs/dbraw/zinc/90/23/27/380902327.db2.gz ZEHMYSYTJWDTCK-OCCSQVGLSA-N 1 0 294.351 2.508 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000341287192 380903236 /nfs/dbraw/zinc/90/32/36/380903236.db2.gz ZEHMYSYTJWDTCK-JSGCOSHPSA-N 1 0 294.351 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)C1CC1)CCC2 ZINC000353862759 380913190 /nfs/dbraw/zinc/91/31/90/380913190.db2.gz TVWOFTVPYXQBSN-XJKSGUPXSA-N 1 0 290.363 2.580 20 5 CFBDRO Cc1cnn([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000368075407 380914185 /nfs/dbraw/zinc/91/41/85/380914185.db2.gz YMZYBFCNQNYOEV-HNNXBMFYSA-N 1 0 286.335 2.547 20 5 CFBDRO COC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000295599059 380966787 /nfs/dbraw/zinc/96/67/87/380966787.db2.gz CRSRRBQYOHUGJB-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000279275443 194363804 /nfs/dbraw/zinc/36/38/04/194363804.db2.gz JPRXZCDDKNVRQJ-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000341322169 380933940 /nfs/dbraw/zinc/93/39/40/380933940.db2.gz BABYRHBIZCZEFG-UMNHJUIQSA-N 1 0 266.341 2.713 20 5 CFBDRO C[NH2+]C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347231116 381018684 /nfs/dbraw/zinc/01/86/84/381018684.db2.gz YCXZVGZYHOBSLV-LHRNQBEKSA-N 1 0 289.379 2.539 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000411478899 381029930 /nfs/dbraw/zinc/02/99/30/381029930.db2.gz LBEOBJGDDDZPGW-NVXWUHKLSA-N 1 0 295.342 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000368366248 381002087 /nfs/dbraw/zinc/00/20/87/381002087.db2.gz AFKXXXASTLUFHU-UHFFFAOYSA-N 1 0 276.336 2.644 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000341517462 381061707 /nfs/dbraw/zinc/06/17/07/381061707.db2.gz YRKJRMJFYWVIIB-OAHLLOKOSA-N 1 0 292.379 2.873 20 5 CFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411958160 381073084 /nfs/dbraw/zinc/07/30/84/381073084.db2.gz WRVDKIFGNIOSFW-NHYWBVRUSA-N 1 0 278.352 2.888 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CO)C1 ZINC000347343105 381082021 /nfs/dbraw/zinc/08/20/21/381082021.db2.gz QIGLMDCTXZQWQX-NRUITVPNSA-N 1 0 290.363 2.702 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000295811244 381090627 /nfs/dbraw/zinc/09/06/27/381090627.db2.gz AAHRTWCDMYUEIK-FZMZJTMJSA-N 1 0 286.335 2.629 20 5 CFBDRO Cc1nnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000289664423 381091309 /nfs/dbraw/zinc/09/13/09/381091309.db2.gz GXULENIIBJIKCG-SECBINFHSA-N 1 0 292.364 2.648 20 5 CFBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279335792 194389871 /nfs/dbraw/zinc/38/98/71/194389871.db2.gz PFYNQCLKXURFIT-LRDDRELGSA-N 1 0 290.363 2.637 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000412024783 381098159 /nfs/dbraw/zinc/09/81/59/381098159.db2.gz ZYJMWHSNTVSDLH-LLVKDONJSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cnccn1)CCC2 ZINC000358990534 381197921 /nfs/dbraw/zinc/19/79/21/381197921.db2.gz PLMKCMBQUYRSBH-INIZCTEOSA-N 1 0 298.346 2.595 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000183034152 381199059 /nfs/dbraw/zinc/19/90/59/381199059.db2.gz DOIFVOYQTFWLDX-NEPJUHHUSA-N 1 0 266.341 2.998 20 5 CFBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000296091253 381251509 /nfs/dbraw/zinc/25/15/09/381251509.db2.gz RDWQPERKXPVSPQ-ZDUSSCGKSA-N 1 0 289.379 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)c(F)c1 ZINC000342290571 381251809 /nfs/dbraw/zinc/25/18/09/381251809.db2.gz MVGGLXUJMUKAGZ-UWVGGRQHSA-N 1 0 256.252 2.714 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC2CC[NH+](C)CC2)n1 ZINC000359083279 381253205 /nfs/dbraw/zinc/25/32/05/381253205.db2.gz NVJNEYIJQUZSFW-UHFFFAOYSA-N 1 0 292.383 2.750 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000359085847 381257121 /nfs/dbraw/zinc/25/71/21/381257121.db2.gz UGKNXQVSNBULQF-CHWSQXEVSA-N 1 0 290.367 2.645 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000359086557 381257652 /nfs/dbraw/zinc/25/76/52/381257652.db2.gz VLSFTHWRYQBMQE-NSHDSACASA-N 1 0 292.383 2.750 20 5 CFBDRO CC[N@H+](CCNc1nc(C)cc(C)c1[N+](=O)[O-])C1CC1 ZINC000359098475 381264181 /nfs/dbraw/zinc/26/41/81/381264181.db2.gz AEUZRUZOIHXPLP-UHFFFAOYSA-N 1 0 278.356 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]1C(F)F ZINC000342227189 381224644 /nfs/dbraw/zinc/22/46/44/381224644.db2.gz YDGDWOCBEAORMA-UQRCUPDISA-N 1 0 268.263 2.851 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000359033680 381226283 /nfs/dbraw/zinc/22/62/83/381226283.db2.gz WXIGLUTWLIUJSW-QWHCGFSZSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[NH+]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347691942 381301403 /nfs/dbraw/zinc/30/14/03/381301403.db2.gz OMLXXQADDRKWGP-STQMWFEESA-N 1 0 277.368 2.509 20 5 CFBDRO CC[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000290140664 381316407 /nfs/dbraw/zinc/31/64/07/381316407.db2.gz KPKHUQZSWHXROI-ZFWWWQNUSA-N 1 0 278.352 2.987 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000184015983 381355559 /nfs/dbraw/zinc/35/55/59/381355559.db2.gz PNCFFACSFVMQPU-OAHLLOKOSA-N 1 0 288.351 2.612 20 5 CFBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354695329 381406733 /nfs/dbraw/zinc/40/67/33/381406733.db2.gz AQHJQDPMDAYMAH-LLVKDONJSA-N 1 0 290.319 2.979 20 5 CFBDRO CCCN(CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000290331465 381385914 /nfs/dbraw/zinc/38/59/14/381385914.db2.gz DSQOINWXLFBAEL-UHFFFAOYSA-N 1 0 279.384 2.759 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184230297 381387745 /nfs/dbraw/zinc/38/77/45/381387745.db2.gz DCXFHYSTMITCLV-VHSXEESVSA-N 1 0 282.315 2.973 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184234514 381390019 /nfs/dbraw/zinc/39/00/19/381390019.db2.gz BQWURBLLNQBKNW-PHIMTYICSA-N 1 0 294.326 2.974 20 5 CFBDRO COc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184234528 381390293 /nfs/dbraw/zinc/39/02/93/381390293.db2.gz BQWURBLLNQBKNW-GHMZBOCLSA-N 1 0 294.326 2.974 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296529039 381435250 /nfs/dbraw/zinc/43/52/50/381435250.db2.gz QIONIVKMTLIOPT-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000288942961 197197779 /nfs/dbraw/zinc/19/77/79/197197779.db2.gz WXFQNBDJPBYFSE-HNNXBMFYSA-N 1 0 278.352 2.579 20 5 CFBDRO CCOC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000342657621 381461257 /nfs/dbraw/zinc/46/12/57/381461257.db2.gz JVXLOORIIYPOTO-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000290622360 381502251 /nfs/dbraw/zinc/50/22/51/381502251.db2.gz XJGAKHMLEZKPAD-AWEZNQCLSA-N 1 0 280.368 2.742 20 5 CFBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000355039161 381577711 /nfs/dbraw/zinc/57/77/11/381577711.db2.gz RQOFVYYEYRXLJK-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348521342 381605540 /nfs/dbraw/zinc/60/55/40/381605540.db2.gz PKYHUVOFDUBFGH-PWSUYJOCSA-N 1 0 286.278 2.845 20 5 CFBDRO C[C@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414923916 381614255 /nfs/dbraw/zinc/61/42/55/381614255.db2.gz FKCAYXVTNLAMDT-SNVBAGLBSA-N 1 0 291.376 2.760 20 5 CFBDRO C[C@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290984640 381619736 /nfs/dbraw/zinc/61/97/36/381619736.db2.gz YYRYHKNPKQUVIP-ZETCQYMHSA-N 1 0 293.150 2.620 20 5 CFBDRO CC[C@@H]([NH3+])CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414972567 381667311 /nfs/dbraw/zinc/66/73/11/381667311.db2.gz ARVBNFVXCILVOB-GFCCVEGCSA-N 1 0 289.335 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000371893835 381717919 /nfs/dbraw/zinc/71/79/19/381717919.db2.gz LCAKOTGLFMTJFJ-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348713170 381681787 /nfs/dbraw/zinc/68/17/87/381681787.db2.gz VTFPQAYGFCUTNN-GBXSZLQWSA-N 1 0 276.336 2.719 20 5 CFBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415000069 381690805 /nfs/dbraw/zinc/69/08/05/381690805.db2.gz ACDQZDXWNBRTLW-MNOVXSKESA-N 1 0 289.335 2.680 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000355232463 381693083 /nfs/dbraw/zinc/69/30/83/381693083.db2.gz CUEFURHLYWYSAU-HUUCEWRRSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)c1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415005813 381699003 /nfs/dbraw/zinc/69/90/03/381699003.db2.gz JUSORARVNPLXOH-WDEREUQCSA-N 1 0 265.357 2.544 20 5 CFBDRO CC(C)(C)[C@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000415051427 381736731 /nfs/dbraw/zinc/73/67/31/381736731.db2.gz JSMOFJSKHNMAKV-OWNNVSBGSA-N 1 0 277.368 2.571 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056555 381742923 /nfs/dbraw/zinc/74/29/23/381742923.db2.gz SHCYEQQSUCIJNF-GOEBONIOSA-N 1 0 289.379 2.559 20 5 CFBDRO COCC1=CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185831670 381747497 /nfs/dbraw/zinc/74/74/97/381747497.db2.gz NIBIVCCFBFCOGE-LBPRGKRZSA-N 1 0 276.336 2.934 20 5 CFBDRO CCc1ccccc1[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000415070731 381756415 /nfs/dbraw/zinc/75/64/15/381756415.db2.gz VJSHRCTTXGZFDE-QGZVFWFLSA-N 1 0 299.374 2.947 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000372155480 381765706 /nfs/dbraw/zinc/76/57/06/381765706.db2.gz KQVSQNNYOQUTKW-CABCVRRESA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360264122 381775197 /nfs/dbraw/zinc/77/51/97/381775197.db2.gz CFOUHQHXQSYVEJ-GHMZBOCLSA-N 1 0 280.372 2.633 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000343608984 381837662 /nfs/dbraw/zinc/83/76/62/381837662.db2.gz LYRRRCNWYCGAJQ-UONOGXRCSA-N 1 0 289.379 2.966 20 5 CFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292441210 381804721 /nfs/dbraw/zinc/80/47/21/381804721.db2.gz YISPKFMAGHUSTE-AWEZNQCLSA-N 1 0 295.770 2.780 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343616687 381843741 /nfs/dbraw/zinc/84/37/41/381843741.db2.gz ZNCPDKOHBQUTKK-BXKDBHETSA-N 1 0 267.304 2.629 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000299063158 381812105 /nfs/dbraw/zinc/81/21/05/381812105.db2.gz MALQSSFHWPOYAL-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000372694593 381852406 /nfs/dbraw/zinc/85/24/06/381852406.db2.gz QBHKECZWWHDKNG-UHFFFAOYSA-N 1 0 298.346 2.764 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC ZINC000349249880 381865149 /nfs/dbraw/zinc/86/51/49/381865149.db2.gz VNATTWKLNHRFDM-NSHDSACASA-N 1 0 284.381 2.702 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000292914046 381900952 /nfs/dbraw/zinc/90/09/52/381900952.db2.gz FRELPDXUSXPRGF-CYBMUJFWSA-N 1 0 266.341 2.542 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000349367183 381910010 /nfs/dbraw/zinc/91/00/10/381910010.db2.gz LBLPUIGQJANBME-RRDVCTQDSA-N 1 0 290.363 2.701 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186489976 381924663 /nfs/dbraw/zinc/92/46/63/381924663.db2.gz WSRNHNJMMZJXDH-JCMPJRQWSA-N 1 0 264.325 2.573 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349411805 381928674 /nfs/dbraw/zinc/92/86/74/381928674.db2.gz BAUIZNJWHQWSIW-UHFFFAOYSA-N 1 0 280.368 2.888 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccsc1 ZINC000349568919 381962573 /nfs/dbraw/zinc/96/25/73/381962573.db2.gz NHFJKWGOJJJWDV-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO COC1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000293056489 381970796 /nfs/dbraw/zinc/97/07/96/381970796.db2.gz UKDGJAPOBJFDKF-UHFFFAOYSA-N 1 0 270.354 2.705 20 5 CFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292982402 381934041 /nfs/dbraw/zinc/93/40/41/381934041.db2.gz LIFVMWCWMHBKDT-HZMBPMFUSA-N 1 0 298.770 2.889 20 5 CFBDRO CC(C)C1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000293011449 381949253 /nfs/dbraw/zinc/94/92/53/381949253.db2.gz NZGJESAAMASNER-UHFFFAOYSA-N 1 0 292.335 2.740 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186745210 381999091 /nfs/dbraw/zinc/99/90/91/381999091.db2.gz KLNMXOAOCGOGNZ-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000186791388 382015144 /nfs/dbraw/zinc/01/51/44/382015144.db2.gz TVFSXQDSCMTPCV-XNRPHZJLSA-N 1 0 292.379 2.809 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417340296 382046814 /nfs/dbraw/zinc/04/68/14/382046814.db2.gz JQBGAMUOTVSGNC-WFASDCNBSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000362434867 382068471 /nfs/dbraw/zinc/06/84/71/382068471.db2.gz QBMYWVNZSXGVEY-TXEJJXNPSA-N 1 0 264.325 2.561 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000351498141 382040590 /nfs/dbraw/zinc/04/05/90/382040590.db2.gz AIDFBNQURPNFPU-SBSDFTTDSA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1ccnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301250422 382122112 /nfs/dbraw/zinc/12/21/12/382122112.db2.gz BYGHRFUWBIRTIO-LBPRGKRZSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCCn2ccnc2)c2ncccc12 ZINC000301073960 382074741 /nfs/dbraw/zinc/07/47/41/382074741.db2.gz KGFDORWQLMIDHP-UHFFFAOYSA-N 1 0 297.318 2.842 20 5 CFBDRO CC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293360902 382093328 /nfs/dbraw/zinc/09/33/28/382093328.db2.gz HIYMEYVYQQEXEJ-SNPRPXQTSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ccnc(NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000301289479 382138974 /nfs/dbraw/zinc/13/89/74/382138974.db2.gz NAQCCWWJPXTXBJ-GFCCVEGCSA-N 1 0 280.372 2.686 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000376958712 382197605 /nfs/dbraw/zinc/19/76/05/382197605.db2.gz SEGBCJTVEROKMC-GUYCJALGSA-N 1 0 298.342 2.905 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000302292725 382236899 /nfs/dbraw/zinc/23/68/99/382236899.db2.gz WWCVFJZDYJFVPI-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO CCCCC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362949601 382223626 /nfs/dbraw/zinc/22/36/26/382223626.db2.gz QNYIFZVJXQEBQZ-CYBMUJFWSA-N 1 0 280.372 2.836 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352229713 382237913 /nfs/dbraw/zinc/23/79/13/382237913.db2.gz GFSGZZRAAABOOS-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H](CO)C2)c(Cl)c1 ZINC000376878265 382186994 /nfs/dbraw/zinc/18/69/94/382186994.db2.gz SWHNUZJJPZRCHW-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345154534 382288904 /nfs/dbraw/zinc/28/89/04/382288904.db2.gz XJXVDHPWNLRQFE-NWDGAFQWSA-N 1 0 263.341 2.514 20 5 CFBDRO Cc1ccnc(N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000302482177 382255775 /nfs/dbraw/zinc/25/57/75/382255775.db2.gz YHCZZFORELYBKU-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187955848 382309339 /nfs/dbraw/zinc/30/93/39/382309339.db2.gz FELNTLFELRUDSY-LRDDRELGSA-N 1 0 292.379 2.886 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000420293085 382345493 /nfs/dbraw/zinc/34/54/93/382345493.db2.gz XKOGMPWOLZSOAU-NXEZZACHSA-N 1 0 267.304 2.663 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000420284461 382339810 /nfs/dbraw/zinc/33/98/10/382339810.db2.gz OWGOQEMICTZHKT-DTWKUNHWSA-N 1 0 284.747 2.573 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000420288842 382342452 /nfs/dbraw/zinc/34/24/52/382342452.db2.gz SKLVKPOXMXUPCN-MWLCHTKSSA-N 1 0 267.304 2.663 20 5 CFBDRO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419370043 382300113 /nfs/dbraw/zinc/30/01/13/382300113.db2.gz IYNKCLJZFQJMMZ-WOPDTQHZSA-N 1 0 291.351 2.510 20 5 CFBDRO Cc1c(CN[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420355600 382380753 /nfs/dbraw/zinc/38/07/53/382380753.db2.gz CCMZEDZBUXVVFY-HNNXBMFYSA-N 1 0 291.395 2.900 20 5 CFBDRO [NH3+]CC[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000352526635 382381474 /nfs/dbraw/zinc/38/14/74/382381474.db2.gz QAYGPIZLMKFLLN-KEDPEKRHSA-N 1 0 289.379 2.811 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(C2)CCCCCC3)n1 ZINC000378017567 382384285 /nfs/dbraw/zinc/38/42/85/382384285.db2.gz IUCKHPIVFNACQD-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO COc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352546015 382390827 /nfs/dbraw/zinc/39/08/27/382390827.db2.gz OFSGDPKPTPBRQJ-QWRGUYRKSA-N 1 0 264.325 2.976 20 5 CFBDRO C[C@@H](CO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555358 382394398 /nfs/dbraw/zinc/39/43/98/382394398.db2.gz MCOPCTXQSHTVHJ-BLLLJJGKSA-N 1 0 286.331 2.655 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798183 382348352 /nfs/dbraw/zinc/34/83/52/382348352.db2.gz FHBVZXLJMNKKRE-JQWIXIFHSA-N 1 0 286.335 2.526 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000294149766 382434782 /nfs/dbraw/zinc/43/47/82/382434782.db2.gz HJOQWHSPVOZGBJ-FZMZJTMJSA-N 1 0 266.341 2.746 20 5 CFBDRO CS[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294160596 382438745 /nfs/dbraw/zinc/43/87/45/382438745.db2.gz AXWAOMWPDGMUMO-SNVBAGLBSA-N 1 0 270.329 2.671 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000358014155 382408691 /nfs/dbraw/zinc/40/86/91/382408691.db2.gz BQOHIVFCQCPQEK-SNVBAGLBSA-N 1 0 264.325 2.882 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358015500 382410425 /nfs/dbraw/zinc/41/04/25/382410425.db2.gz LEOLOHLQWVVVBQ-CYBMUJFWSA-N 1 0 266.341 2.746 20 5 CFBDRO Cc1ncccc1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621559 382420791 /nfs/dbraw/zinc/42/07/91/382420791.db2.gz QYPBVJSYTVZBIF-UHFFFAOYSA-N 1 0 299.330 2.693 20 5 CFBDRO C[NH2+][C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000346690143 382474020 /nfs/dbraw/zinc/47/40/20/382474020.db2.gz SDIFBZUFTGIVHB-ZDUSSCGKSA-N 1 0 277.368 2.512 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308400439 382474496 /nfs/dbraw/zinc/47/44/96/382474496.db2.gz WDRJWKCEIXTSLI-ZIAGYGMSSA-N 1 0 276.336 2.642 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308386209 382474919 /nfs/dbraw/zinc/47/49/19/382474919.db2.gz DMJBJIDDGJWCIX-KBPBESRZSA-N 1 0 276.336 2.642 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000308641385 382481461 /nfs/dbraw/zinc/48/14/61/382481461.db2.gz JTCWVSXTKJVUOK-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(C3CCCC3)C2)c1 ZINC000366501435 382521395 /nfs/dbraw/zinc/52/13/95/382521395.db2.gz BIKPIUUUPIITGU-INIZCTEOSA-N 1 0 290.363 2.750 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000037647829 184541560 /nfs/dbraw/zinc/54/15/60/184541560.db2.gz FWAZOWMWCGQXFI-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000312284252 382514159 /nfs/dbraw/zinc/51/41/59/382514159.db2.gz SOIRSPOKHUDUIU-LLVKDONJSA-N 1 0 281.331 2.876 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)O1 ZINC000384675286 382556009 /nfs/dbraw/zinc/55/60/09/382556009.db2.gz YXWLKNBREQYCIW-JRKPZEMJSA-N 1 0 284.743 2.904 20 5 CFBDRO C[C@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189227656 382569816 /nfs/dbraw/zinc/56/98/16/382569816.db2.gz ZPPGENNPTMRHCB-QMMMGPOBSA-N 1 0 278.230 2.782 20 5 CFBDRO CCOc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382486055 382531630 /nfs/dbraw/zinc/53/16/30/382531630.db2.gz ZKDHVBVMGPYSEG-MNOVXSKESA-N 1 0 279.340 2.675 20 5 CFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000294833225 382533738 /nfs/dbraw/zinc/53/37/38/382533738.db2.gz AIRYITFVUXXPQD-LBPRGKRZSA-N 1 0 275.352 2.515 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189320526 382591778 /nfs/dbraw/zinc/59/17/78/382591778.db2.gz UKXYLMFZIHRZFQ-UGFHNGPFSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358375172 382593936 /nfs/dbraw/zinc/59/39/36/382593936.db2.gz PLQWHSBEGQLDNF-SCZZXKLOSA-N 1 0 292.257 2.559 20 5 CFBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000388283405 382605244 /nfs/dbraw/zinc/60/52/44/382605244.db2.gz OBIBVPOIGJELQT-LKFCYVNXSA-N 1 0 282.315 2.637 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000388376030 382606151 /nfs/dbraw/zinc/60/61/51/382606151.db2.gz ZKJMXGBDXPVAOZ-BONVTDFDSA-N 1 0 294.351 2.507 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000353751865 382626125 /nfs/dbraw/zinc/62/61/25/382626125.db2.gz ZEFOBXJOVJPYAD-CZUORRHYSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821500 382578213 /nfs/dbraw/zinc/57/82/13/382578213.db2.gz RRADFWIOCPZVOY-GXFFZTMASA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295196752 382579807 /nfs/dbraw/zinc/57/98/07/382579807.db2.gz YAIHWKURGKFFQH-KBPBESRZSA-N 1 0 294.395 2.914 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1nc(C)ccc1[N+](=O)[O-] ZINC000190974778 382687231 /nfs/dbraw/zinc/68/72/31/382687231.db2.gz ONYJCMCLCTUZAF-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000190954776 382686258 /nfs/dbraw/zinc/68/62/58/382686258.db2.gz AJGSHBAQDXXLEU-GXTWGEPZSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H]1CCC[C@](CNc2ncc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000189683860 382635260 /nfs/dbraw/zinc/63/52/60/382635260.db2.gz OYFXGGJHINTENX-GWCFXTLKSA-N 1 0 298.412 2.974 20 5 CFBDRO CO[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000191143500 382692848 /nfs/dbraw/zinc/69/28/48/382692848.db2.gz AFFCEHRIRKFLCL-NSHDSACASA-N 1 0 290.319 2.979 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1CCCCC1 ZINC000191297608 382697958 /nfs/dbraw/zinc/69/79/58/382697958.db2.gz UCOWMQUQPMHATP-INIZCTEOSA-N 1 0 292.379 2.968 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000192454464 382709110 /nfs/dbraw/zinc/70/91/10/382709110.db2.gz KCKJHSDOPCQRTC-SNVBAGLBSA-N 1 0 284.385 2.728 20 5 CFBDRO C[NH+](C)CC1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000192504774 382709568 /nfs/dbraw/zinc/70/95/68/382709568.db2.gz LPVZDFVFAJQMOK-UHFFFAOYSA-N 1 0 284.385 2.584 20 5 CFBDRO CCC[C@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193281389 382717977 /nfs/dbraw/zinc/71/79/77/382717977.db2.gz YXULSOHZYFMCGY-AWEZNQCLSA-N 1 0 266.341 2.798 20 5 CFBDRO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000336841051 382731347 /nfs/dbraw/zinc/73/13/47/382731347.db2.gz RDFZJCCKZBEQCQ-SNVBAGLBSA-N 1 0 281.331 2.937 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195666968 382770747 /nfs/dbraw/zinc/77/07/47/382770747.db2.gz MQKYDYQMJVQHQY-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219239569 382792773 /nfs/dbraw/zinc/79/27/73/382792773.db2.gz BWJOAKZKLRFCBE-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)OCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000228565234 382847951 /nfs/dbraw/zinc/84/79/51/382847951.db2.gz AADOBSQQUFGWMK-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000220626816 382796739 /nfs/dbraw/zinc/79/67/39/382796739.db2.gz CTAXMTXWWVWICE-CABZTGNLSA-N 1 0 252.339 2.578 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000221255119 382798093 /nfs/dbraw/zinc/79/80/93/382798093.db2.gz MNBRUBJQSHPQTO-SNVBAGLBSA-N 1 0 269.732 2.754 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000575805910 382799698 /nfs/dbraw/zinc/79/96/98/382799698.db2.gz PMXKCBBTXURTHV-GOEBONIOSA-N 1 0 292.379 2.620 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000222786103 382803242 /nfs/dbraw/zinc/80/32/42/382803242.db2.gz NNPGTHVTMJHBNU-VWYCJHECSA-N 1 0 252.314 2.669 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000224202690 382809438 /nfs/dbraw/zinc/80/94/38/382809438.db2.gz BDTFDIZHQQKTRL-GXTWGEPZSA-N 1 0 280.368 2.961 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000576101174 382809983 /nfs/dbraw/zinc/80/99/83/382809983.db2.gz UAIWIGKIHBTBFM-HZSPNIEDSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000576121960 382811338 /nfs/dbraw/zinc/81/13/38/382811338.db2.gz SIZNUEMPFIRYPF-ZFWWWQNUSA-N 1 0 276.336 2.598 20 5 CFBDRO COc1ccccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225586184 382818540 /nfs/dbraw/zinc/81/85/40/382818540.db2.gz PABGANLWWQATSE-UHFFFAOYSA-N 1 0 292.360 2.997 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000226248988 382825790 /nfs/dbraw/zinc/82/57/90/382825790.db2.gz HQRPOBPBGAAJKA-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000337486932 382829749 /nfs/dbraw/zinc/82/97/49/382829749.db2.gz ZONFQFOGIIXQPW-ZDUSSCGKSA-N 1 0 291.351 2.654 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC000227082283 382833175 /nfs/dbraw/zinc/83/31/75/382833175.db2.gz LDJDSKSTPZBZII-RBSFLKMASA-N 1 0 290.363 2.888 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000227463603 382837209 /nfs/dbraw/zinc/83/72/09/382837209.db2.gz VPYRQKWFECOJCL-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227650923 382838897 /nfs/dbraw/zinc/83/88/97/382838897.db2.gz ODCIGVGGXOQYLF-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230147151 382856292 /nfs/dbraw/zinc/85/62/92/382856292.db2.gz ASCARYQEZDZQJE-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO Cc1c(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884229 382867443 /nfs/dbraw/zinc/86/74/43/382867443.db2.gz AXNWHPCFQSVUSA-FZMZJTMJSA-N 1 0 289.379 2.618 20 5 CFBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000578320230 382910084 /nfs/dbraw/zinc/91/00/84/382910084.db2.gz HMDZEXYMVAICQH-UHFFFAOYSA-N 1 0 290.323 2.875 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CCCO ZINC000577976749 382878978 /nfs/dbraw/zinc/87/89/78/382878978.db2.gz NRRHORXONQJBRN-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000533494876 382901495 /nfs/dbraw/zinc/90/14/95/382901495.db2.gz RMBDAFAIPJJIMD-UHFFFAOYSA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)n1nccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000280306231 194791251 /nfs/dbraw/zinc/79/12/51/194791251.db2.gz OLRKWNPJJGJOBN-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191634 382968887 /nfs/dbraw/zinc/96/88/87/382968887.db2.gz HKYAYVOYJZKMHB-ZWNOBZJWSA-N 1 0 284.381 2.639 20 5 CFBDRO CC[C@]1(O)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000495211758 382971182 /nfs/dbraw/zinc/97/11/82/382971182.db2.gz OYPFLYCQUKMKHQ-ZDUSSCGKSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000550699775 383028470 /nfs/dbraw/zinc/02/84/70/383028470.db2.gz MSBHTMCLLDMQNM-IUODEOHRSA-N 1 0 294.351 2.521 20 5 CFBDRO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000579613768 383037461 /nfs/dbraw/zinc/03/74/61/383037461.db2.gz BZGJUUROMCAGNO-ZFWWWQNUSA-N 1 0 292.379 2.967 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423364661 383065247 /nfs/dbraw/zinc/06/52/47/383065247.db2.gz CQXLRUSHOQFNNP-MBNYWOFBSA-N 1 0 277.368 2.552 20 5 CFBDRO CC[C@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246252733 383069792 /nfs/dbraw/zinc/06/97/92/383069792.db2.gz PNDRVALWYDRUFF-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375294 383071250 /nfs/dbraw/zinc/07/12/50/383071250.db2.gz IMTOGCFUWLJGQB-DOMZBBRYSA-N 1 0 291.395 2.504 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423375529 383071349 /nfs/dbraw/zinc/07/13/49/383071349.db2.gz KRMZJZWKCGFKOB-OBJOEFQTSA-N 1 0 277.368 2.694 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423375525 383071572 /nfs/dbraw/zinc/07/15/72/383071572.db2.gz KRMZJZWKCGFKOB-DYEKYZERSA-N 1 0 277.368 2.694 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246289034 383071673 /nfs/dbraw/zinc/07/16/73/383071673.db2.gz AUPSKTLZDGCMKQ-OLZOCXBDSA-N 1 0 277.368 2.539 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246289040 383071682 /nfs/dbraw/zinc/07/16/82/383071682.db2.gz AUPSKTLZDGCMKQ-STQMWFEESA-N 1 0 277.368 2.539 20 5 CFBDRO CC[C@]1(C)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339016521 383122363 /nfs/dbraw/zinc/12/23/63/383122363.db2.gz BRNBYVRAKSEZDD-CQSZACIVSA-N 1 0 264.325 2.922 20 5 CFBDRO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526027 383126254 /nfs/dbraw/zinc/12/62/54/383126254.db2.gz KWVCUKXMQUWPKQ-ABAIWWIYSA-N 1 0 277.368 2.763 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000247134570 383145956 /nfs/dbraw/zinc/14/59/56/383145956.db2.gz QNJLKIGYEMDTST-YRGRVCCFSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000554376061 383132648 /nfs/dbraw/zinc/13/26/48/383132648.db2.gz DNVKUXCCOZYXJX-GGVZMXCHSA-N 1 0 256.252 2.899 20 5 CFBDRO C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000608886379 383133548 /nfs/dbraw/zinc/13/35/48/383133548.db2.gz DLCZRSMCBJBWNW-UHFFFAOYSA-N 1 0 279.340 2.511 20 5 CFBDRO CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566806611 383214467 /nfs/dbraw/zinc/21/44/67/383214467.db2.gz TZSSXNLWILPHFT-FZMZJTMJSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000339473773 383209950 /nfs/dbraw/zinc/20/99/50/383209950.db2.gz ZYWMAWIURKSWEF-MRXNPFEDSA-N 1 0 292.379 2.934 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058161 383154466 /nfs/dbraw/zinc/15/44/66/383154466.db2.gz GWTAKKMIAHJFOG-HIFRSBDPSA-N 1 0 291.395 2.600 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058163 383155082 /nfs/dbraw/zinc/15/50/82/383155082.db2.gz GWTAKKMIAHJFOG-ZFWWWQNUSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000449083175 383168147 /nfs/dbraw/zinc/16/81/47/383168147.db2.gz ATBRAPUVXLCOQA-STQMWFEESA-N 1 0 278.352 2.542 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449089941 383170130 /nfs/dbraw/zinc/17/01/30/383170130.db2.gz FMCXADHYNXIIQD-GXTWGEPZSA-N 1 0 280.368 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCC[NH+]1CCCC1 ZINC000520428460 383256369 /nfs/dbraw/zinc/25/63/69/383256369.db2.gz VPVGJBDFTMAQKP-HNNXBMFYSA-N 1 0 289.379 2.658 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH+]1C ZINC000339617336 383263465 /nfs/dbraw/zinc/26/34/65/383263465.db2.gz RZCOJLJPGGEACO-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339617965 383263903 /nfs/dbraw/zinc/26/39/03/383263903.db2.gz GBWRCNXWTSJVQO-JHJVBQTASA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339621252 383266106 /nfs/dbraw/zinc/26/61/06/383266106.db2.gz IBGNXKBATDOQNR-JHJVBQTASA-N 1 0 277.368 2.680 20 5 CFBDRO CC1=CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339629317 383269894 /nfs/dbraw/zinc/26/98/94/383269894.db2.gz UEAZHCMEABUTDR-UHFFFAOYSA-N 1 0 262.309 2.626 20 5 CFBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334381 383223581 /nfs/dbraw/zinc/22/35/81/383223581.db2.gz JFFVXHPHEUMCGR-UONOGXRCSA-N 1 0 293.411 2.844 20 5 CFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248367200 383228484 /nfs/dbraw/zinc/22/84/84/383228484.db2.gz TUKLRUZXSIWZEA-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@@H](CO)[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280565050 194883873 /nfs/dbraw/zinc/88/38/73/194883873.db2.gz RNPRXLZEGPJHKA-LBPRGKRZSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827255 383346116 /nfs/dbraw/zinc/34/61/16/383346116.db2.gz UWUSYFFMJCWPCL-ZANVPECISA-N 1 0 279.315 2.629 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000340249192 383391535 /nfs/dbraw/zinc/39/15/35/383391535.db2.gz ZDTSHCIFZIQOTQ-LLVKDONJSA-N 1 0 266.341 2.540 20 5 CFBDRO CC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000340283726 383403862 /nfs/dbraw/zinc/40/38/62/383403862.db2.gz ZDNWKCKSBAYHOF-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000250132084 383372129 /nfs/dbraw/zinc/37/21/29/383372129.db2.gz XGOIQVDRMLYBIA-SLEUVZQESA-N 1 0 278.352 2.797 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000340489027 383439968 /nfs/dbraw/zinc/43/99/68/383439968.db2.gz IGFHRNGSWYYYKL-YGRLFVJLSA-N 1 0 264.325 2.670 20 5 CFBDRO COC(C)(C)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527048573 383447591 /nfs/dbraw/zinc/44/75/91/383447591.db2.gz KOBWYQGDKSBKFO-UHFFFAOYSA-N 1 0 278.352 2.768 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000450549006 383457064 /nfs/dbraw/zinc/45/70/64/383457064.db2.gz UOQIXYUFDVAOMD-LBPRGKRZSA-N 1 0 289.379 2.824 20 5 CFBDRO CCOCC[N@H+](CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255544183 383483593 /nfs/dbraw/zinc/48/35/93/383483593.db2.gz PFBGJGRODUDIJR-CLFYSBASSA-N 1 0 278.352 2.966 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567701 383545900 /nfs/dbraw/zinc/54/59/00/383545900.db2.gz YALJLKJSVUSUHJ-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488098690 383495289 /nfs/dbraw/zinc/49/52/89/383495289.db2.gz WKFZQTIYJISRLY-CJNGLKHVSA-N 1 0 291.395 2.928 20 5 CFBDRO Cc1ccc(C)c(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000429299156 383515415 /nfs/dbraw/zinc/51/54/15/383515415.db2.gz GHFURAMAENVJNE-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000429320496 383518963 /nfs/dbraw/zinc/51/89/63/383518963.db2.gz BHVMOEFXVRAJBN-CQSZACIVSA-N 1 0 298.342 2.600 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429486774 383536355 /nfs/dbraw/zinc/53/63/55/383536355.db2.gz BKWIKLWFEHNNJI-JSGCOSHPSA-N 1 0 282.315 2.781 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC(C)(C)C[NH+]2CCCC2)n1 ZINC000450951206 383564563 /nfs/dbraw/zinc/56/45/63/383564563.db2.gz PGUPEZZGSBYRFR-UHFFFAOYSA-N 1 0 292.383 2.893 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+](C)C)CC1 ZINC000489821409 383638185 /nfs/dbraw/zinc/63/81/85/383638185.db2.gz RAWAEQSVEOPRMK-LBPRGKRZSA-N 1 0 277.368 2.682 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451486734 383625543 /nfs/dbraw/zinc/62/55/43/383625543.db2.gz DSLOJCODIAFMTG-ZIAGYGMSSA-N 1 0 294.351 2.507 20 5 CFBDRO CCN(C)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144530 383755017 /nfs/dbraw/zinc/75/50/17/383755017.db2.gz MSKWCWCBDCNZHU-OAHLLOKOSA-N 1 0 291.395 2.859 20 5 CFBDRO Cc1c(C[N@@H+](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000531104833 383819692 /nfs/dbraw/zinc/81/96/92/383819692.db2.gz HMPTVUFABLEEJJ-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)OC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000530687272 383784933 /nfs/dbraw/zinc/78/49/33/383784933.db2.gz LPZOEIFHXQYVSR-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453630719 383890839 /nfs/dbraw/zinc/89/08/39/383890839.db2.gz MMIWHIASHJNWNG-RISCZKNCSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438353367 383989625 /nfs/dbraw/zinc/98/96/25/383989625.db2.gz DLLASZCSLXQUHI-RWMBFGLXSA-N 1 0 278.352 2.901 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532239410 384000325 /nfs/dbraw/zinc/00/03/25/384000325.db2.gz LJZJMSFHXUSAJS-OCCSQVGLSA-N 1 0 291.395 2.896 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420272246 533033497 /nfs/dbraw/zinc/03/34/97/533033497.db2.gz DHZUJLVFBZBGFK-MNOVXSKESA-N 1 0 279.340 2.533 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628098 384427471 /nfs/dbraw/zinc/42/74/71/384427471.db2.gz LTINNWYMWJPVBG-JQWIXIFHSA-N 1 0 281.331 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000369462993 285110484 /nfs/dbraw/zinc/11/04/84/285110484.db2.gz ALGUCORQBNEDRB-HOTGVXAUSA-N 1 0 290.363 2.781 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278150293 384484520 /nfs/dbraw/zinc/48/45/20/384484520.db2.gz ABJNWSWAKGSFRH-NHYWBVRUSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000278207432 384499630 /nfs/dbraw/zinc/49/96/30/384499630.db2.gz JTLSOLTYSCRUJE-UWVGGRQHSA-N 1 0 279.296 2.591 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCSC1 ZINC000278464857 384585024 /nfs/dbraw/zinc/58/50/24/384585024.db2.gz POVJHOIDCONWHR-NSHDSACASA-N 1 0 266.366 2.780 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301095643 285123771 /nfs/dbraw/zinc/12/37/71/285123771.db2.gz MHVHQCQNSQONCC-CYBMUJFWSA-N 1 0 293.342 2.799 20 5 CFBDRO Cc1nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268535247 384630270 /nfs/dbraw/zinc/63/02/70/384630270.db2.gz YBLOZYNJNPEWBH-ZDUSSCGKSA-N 1 0 292.383 2.688 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000278748009 384595446 /nfs/dbraw/zinc/59/54/46/384595446.db2.gz MZKKUXAMGYWZRP-UKRRQHHQSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268802747 384664723 /nfs/dbraw/zinc/66/47/23/384664723.db2.gz JWVKSDPFNJSFRN-GFCCVEGCSA-N 1 0 288.351 2.759 20 5 CFBDRO Cc1nccn1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268844289 384674815 /nfs/dbraw/zinc/67/48/15/384674815.db2.gz WPWYCMJXEQHPPU-LBPRGKRZSA-N 1 0 288.351 2.759 20 5 CFBDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268786667 384661970 /nfs/dbraw/zinc/66/19/70/384661970.db2.gz CRHUFWIXQGZLTJ-WQGACYEGSA-N 1 0 289.379 2.728 20 5 CFBDRO CC(C)(C)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000279694228 384725480 /nfs/dbraw/zinc/72/54/80/384725480.db2.gz GGURWSWFRZSHFA-CQSZACIVSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269602926 384801581 /nfs/dbraw/zinc/80/15/81/384801581.db2.gz AYSUVKQXHAIWMH-ZANVPECISA-N 1 0 299.321 2.649 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000280189353 384922744 /nfs/dbraw/zinc/92/27/44/384922744.db2.gz HIWHIZYIFCFEIF-HNNXBMFYSA-N 1 0 278.352 2.986 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000368390499 285154952 /nfs/dbraw/zinc/15/49/52/285154952.db2.gz ARWLYFZYXOGOND-LLVKDONJSA-N 1 0 295.770 2.923 20 5 CFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000282142863 385223996 /nfs/dbraw/zinc/22/39/96/385223996.db2.gz SAIZPKQAPWRNNT-WCQYABFASA-N 1 0 294.351 2.760 20 5 CFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000282184019 385239561 /nfs/dbraw/zinc/23/95/61/385239561.db2.gz MZAQMEFRKUTVNT-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282475408 385320781 /nfs/dbraw/zinc/32/07/81/385320781.db2.gz LAZPMXYCSTXQQK-OCCSQVGLSA-N 1 0 282.315 2.781 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246905871 285160917 /nfs/dbraw/zinc/16/09/17/285160917.db2.gz VSZKRRBMRDPCNR-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000282361079 385292390 /nfs/dbraw/zinc/29/23/90/385292390.db2.gz DFZTZRAGVHBOBV-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@H]1CC[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000282405113 385302058 /nfs/dbraw/zinc/30/20/58/385302058.db2.gz IAYQRAZSMZNIDT-WFASDCNBSA-N 1 0 278.352 2.637 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000271122874 385342465 /nfs/dbraw/zinc/34/24/65/385342465.db2.gz JTUVFJXTHCUCKV-NWDGAFQWSA-N 1 0 295.383 2.594 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000271528410 385385379 /nfs/dbraw/zinc/38/53/79/385385379.db2.gz WEBVLZOLNIAMJW-QWHCGFSZSA-N 1 0 288.351 2.839 20 5 CFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cnn1C ZINC000283052037 385429001 /nfs/dbraw/zinc/42/90/01/385429001.db2.gz IYPOJAOCPNOYDS-VIFPVBQESA-N 1 0 292.314 2.627 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284069530 385531655 /nfs/dbraw/zinc/53/16/55/385531655.db2.gz LGJOGUNNIMTEJI-PWSUYJOCSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000272422601 385533934 /nfs/dbraw/zinc/53/39/34/385533934.db2.gz MAFPLHVREWUBQO-NWDGAFQWSA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000283965987 385519442 /nfs/dbraw/zinc/51/94/42/385519442.db2.gz CDZQLLKQTWTYNZ-UHFFFAOYSA-N 1 0 298.346 2.581 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272365746 385520012 /nfs/dbraw/zinc/52/00/12/385520012.db2.gz SWRYJTGPQACFLO-ZFWWWQNUSA-N 1 0 292.379 2.824 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283990543 385521416 /nfs/dbraw/zinc/52/14/16/385521416.db2.gz HIMNBQLCFSCGTD-BDAKNGLRSA-N 1 0 269.370 2.579 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CCCO)CC2)c1 ZINC000272838069 385629886 /nfs/dbraw/zinc/62/98/86/385629886.db2.gz OBJPDGYSCNCJBF-UHFFFAOYSA-N 1 0 278.352 2.579 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000287118637 385785474 /nfs/dbraw/zinc/78/54/74/385785474.db2.gz YXNJEDCGILNDJZ-UHFFFAOYSA-N 1 0 264.325 2.594 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000275031665 385916217 /nfs/dbraw/zinc/91/62/17/385916217.db2.gz CMAKIEFOEIUZDL-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000275495943 385976820 /nfs/dbraw/zinc/97/68/20/385976820.db2.gz RXAMJCDQNOSNLV-UONOGXRCSA-N 1 0 289.379 2.824 20 5 CFBDRO CC(C)(CNCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276713913 386023904 /nfs/dbraw/zinc/02/39/04/386023904.db2.gz QRVXAPQAGWPHOC-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000276857819 386061948 /nfs/dbraw/zinc/06/19/48/386061948.db2.gz FYHOMCGZNVNUQE-LBPRGKRZSA-N 1 0 296.392 2.931 20 5 CFBDRO Cc1ccc(CN(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281338021 195201677 /nfs/dbraw/zinc/20/16/77/195201677.db2.gz SNJRPQDYDNXKKI-UHFFFAOYSA-N 1 0 291.395 2.821 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CCC[NH+]1CCCC1 ZINC000281395441 195223635 /nfs/dbraw/zinc/22/36/35/195223635.db2.gz XCIQNCJIEXZBIU-UHFFFAOYSA-N 1 0 291.395 2.821 20 5 CFBDRO COC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266517458 285280002 /nfs/dbraw/zinc/28/00/02/285280002.db2.gz GWZLQPWCBZPJEQ-VXGBXAGGSA-N 1 0 264.325 2.624 20 5 CFBDRO C[C@@H](CCNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000286981281 196751243 /nfs/dbraw/zinc/75/12/43/196751243.db2.gz SXFRIAUNLPPBLZ-LBPRGKRZSA-N 1 0 292.383 2.853 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000393969260 262385694 /nfs/dbraw/zinc/38/56/94/262385694.db2.gz XFKVOZOLMRDSND-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO COC(=O)CC1(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000281699198 195343127 /nfs/dbraw/zinc/34/31/27/195343127.db2.gz SOWKLKWIEGKZNL-NSHDSACASA-N 1 0 292.335 2.589 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282475411 195621267 /nfs/dbraw/zinc/62/12/67/195621267.db2.gz LAZPMXYCSTXQQK-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)CCO ZINC000449356074 533408160 /nfs/dbraw/zinc/40/81/60/533408160.db2.gz FTCWEBIBRLKUGY-PCRWRXJSSA-N 1 0 292.379 2.996 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C1CCC1 ZINC000449740708 533408869 /nfs/dbraw/zinc/40/88/69/533408869.db2.gz QPVBMOYHLPTPII-RCLKMUNOSA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000426483216 533566692 /nfs/dbraw/zinc/56/66/92/533566692.db2.gz OGWCDHAUDQHIPO-STQMWFEESA-N 1 0 276.336 2.978 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCCC[C@H]1CCO ZINC000342018936 130202643 /nfs/dbraw/zinc/20/26/43/130202643.db2.gz MJFMZXFEZLPQQO-LBPRGKRZSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1nc(N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000355579356 130316922 /nfs/dbraw/zinc/31/69/22/130316922.db2.gz VCMCWWWEIDGSQY-UHFFFAOYSA-N 1 0 294.399 2.853 20 5 CFBDRO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903124 130351095 /nfs/dbraw/zinc/35/10/95/130351095.db2.gz CHXOFKAQCSIPHQ-QWHCGFSZSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342225230 130397808 /nfs/dbraw/zinc/39/78/08/130397808.db2.gz NDWBIFDFCMDQNY-VHSXEESVSA-N 1 0 256.252 2.646 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCCCCO)cc1[N+](=O)[O-] ZINC000223913254 130798526 /nfs/dbraw/zinc/79/85/26/130798526.db2.gz QQSNPYZBPXJCMD-GFCCVEGCSA-N 1 0 266.341 2.716 20 5 CFBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000301351136 393470619 /nfs/dbraw/zinc/47/06/19/393470619.db2.gz IZZARUOUUJOKJH-CQSZACIVSA-N 1 0 281.331 2.510 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301947380 393483980 /nfs/dbraw/zinc/48/39/80/393483980.db2.gz DCNWUUOCVYHRQI-OAHLLOKOSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](C)[C@@H]1C ZINC000183348885 393520510 /nfs/dbraw/zinc/52/05/10/393520510.db2.gz IJBQJDQSCOVNJA-RYUDHWBXSA-N 1 0 264.325 2.512 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000038059581 393537335 /nfs/dbraw/zinc/53/73/35/393537335.db2.gz SQVGWUXGZYZPQD-UHFFFAOYSA-N 1 0 276.292 2.529 20 5 CFBDRO CO[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191150900 393590390 /nfs/dbraw/zinc/59/03/90/393590390.db2.gz PYQZWTBYMYLDDF-NSHDSACASA-N 1 0 290.319 2.979 20 5 CFBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000194096969 393677917 /nfs/dbraw/zinc/67/79/17/393677917.db2.gz MRHBZMZFRPIQPA-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO C[N@@H+]1CC[C@@H](CSc2ccc([N+](=O)[O-])cc2F)C1 ZINC000193512468 393654354 /nfs/dbraw/zinc/65/43/54/393654354.db2.gz FKBCOAQQQSXJFK-SECBINFHSA-N 1 0 270.329 2.778 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411214569 393686352 /nfs/dbraw/zinc/68/63/52/393686352.db2.gz GAKPLSRPJWFMKN-CYBMUJFWSA-N 1 0 291.351 2.798 20 5 CFBDRO CO[C@](C)([C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411946727 393758563 /nfs/dbraw/zinc/75/85/63/393758563.db2.gz LLGMQRZEDLNYLO-MLGOLLRUSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H]([NH2+]CCc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000411464154 393714992 /nfs/dbraw/zinc/71/49/92/393714992.db2.gz XPAZEQBIZIZHHZ-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1c(CN2CCCC[C@@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000227035921 393772011 /nfs/dbraw/zinc/77/20/11/393772011.db2.gz HOAXCUVNBDHESY-SWLSCSKDSA-N 1 0 277.368 2.605 20 5 CFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000413050481 393778664 /nfs/dbraw/zinc/77/86/64/393778664.db2.gz ZWGDWXCMDYQZRF-ZDUSSCGKSA-N 1 0 296.346 2.661 20 5 CFBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000424278121 393812276 /nfs/dbraw/zinc/81/22/76/393812276.db2.gz CYBSFCCXALTNGR-NMWPEEMBSA-N 1 0 290.363 2.888 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000249938341 393926724 /nfs/dbraw/zinc/92/67/24/393926724.db2.gz SOBDIUPVOKSJDE-BSLXNSKLSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H](SCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000120240039 393931690 /nfs/dbraw/zinc/93/16/90/393931690.db2.gz RKZPRXUVFRXPKC-JTQLQIEISA-N 1 0 254.355 2.951 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430223182 393969789 /nfs/dbraw/zinc/96/97/89/393969789.db2.gz FLVYEBSPONKXNR-UHFFFAOYSA-N 1 0 296.367 2.852 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCCCCC1 ZINC000430226078 393970538 /nfs/dbraw/zinc/97/05/38/393970538.db2.gz ZUBLKVZMNHGDFG-UHFFFAOYSA-N 1 0 264.325 2.979 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595982 393987978 /nfs/dbraw/zinc/98/79/78/393987978.db2.gz ITGPJADYHKFQEC-MFKMUULPSA-N 1 0 281.331 2.510 20 5 CFBDRO CSCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000124928963 393999639 /nfs/dbraw/zinc/99/96/39/393999639.db2.gz CCPJNPPSUXCNCK-UHFFFAOYSA-N 1 0 260.384 2.889 20 5 CFBDRO CC[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125168571 394002909 /nfs/dbraw/zinc/00/29/09/394002909.db2.gz USXWRMREPUJJOR-LBPRGKRZSA-N 1 0 294.351 2.714 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270108978 394010040 /nfs/dbraw/zinc/01/00/40/394010040.db2.gz MHOWMCFZOQLEAK-XUJVJEKNSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1cc(NCCCC[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420228851 394099734 /nfs/dbraw/zinc/09/97/34/394099734.db2.gz FZVPZMDYCFOHDJ-UHFFFAOYSA-N 1 0 274.324 2.602 20 5 CFBDRO C[NH+](C)C1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420631783 394121359 /nfs/dbraw/zinc/12/13/59/394121359.db2.gz VWMNPYNWMDQNQH-UHFFFAOYSA-N 1 0 298.774 2.928 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587779 394152703 /nfs/dbraw/zinc/15/27/03/394152703.db2.gz RJPODNHBMMZCSB-YGRLFVJLSA-N 1 0 264.325 2.597 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421008571 394154841 /nfs/dbraw/zinc/15/48/41/394154841.db2.gz DFSPFSZPVVMAQG-CQSZACIVSA-N 1 0 292.379 2.888 20 5 CFBDRO C[C@@H]1C[C@H](CO)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421366808 394204232 /nfs/dbraw/zinc/20/42/32/394204232.db2.gz VTJRGTJISFICHP-HXINVUTJSA-N 1 0 290.363 2.558 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110740 394216526 /nfs/dbraw/zinc/21/65/26/394216526.db2.gz GJLOQFNQKQAJKF-NWDGAFQWSA-N 1 0 266.341 2.540 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157856 394234251 /nfs/dbraw/zinc/23/42/51/394234251.db2.gz WPLVUQUCIDQZRP-SWLSCSKDSA-N 1 0 280.368 2.522 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157857 394234307 /nfs/dbraw/zinc/23/43/07/394234307.db2.gz WPLVUQUCIDQZRP-WFASDCNBSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164184 394237208 /nfs/dbraw/zinc/23/72/08/394237208.db2.gz YMSRCKAEFSJPQO-STQMWFEESA-N 1 0 294.395 2.913 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177334 394242290 /nfs/dbraw/zinc/24/22/90/394242290.db2.gz SECSDFHQESQGLE-KCQAQPDRSA-N 1 0 294.395 2.913 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187459 394245999 /nfs/dbraw/zinc/24/59/99/394245999.db2.gz DIDNJVKZLGKFNV-CHWSQXEVSA-N 1 0 280.368 2.524 20 5 CFBDRO CS[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187615 394246892 /nfs/dbraw/zinc/24/68/92/394246892.db2.gz KZODHGHBQMZKJA-WDEREUQCSA-N 1 0 268.382 2.867 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449195324 394248730 /nfs/dbraw/zinc/24/87/30/394248730.db2.gz UVHLNRKBMHWJPX-SMDDNHRTSA-N 1 0 278.352 2.540 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291788325 394259845 /nfs/dbraw/zinc/25/98/45/394259845.db2.gz MPMHTYCLVRHULH-CQSZACIVSA-N 1 0 286.335 2.547 20 5 CFBDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284059416 195971786 /nfs/dbraw/zinc/97/17/86/195971786.db2.gz KQUJSLYPNUKUJC-LLVKDONJSA-N 1 0 295.383 2.626 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000449235205 394261584 /nfs/dbraw/zinc/26/15/84/394261584.db2.gz FQAFMIUPHZLEMJ-WDEREUQCSA-N 1 0 275.308 2.865 20 5 CFBDRO CC(C)[C@@H]([NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280449 394276296 /nfs/dbraw/zinc/27/62/96/394276296.db2.gz UEUYYXOTHRSPFA-LSDHHAIUSA-N 1 0 291.395 2.890 20 5 CFBDRO CC1(C)C[C@@H](NC[C@@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339181 394277562 /nfs/dbraw/zinc/27/75/62/394277562.db2.gz ZHPXDAMBGVEGAF-HUUCEWRRSA-N 1 0 289.379 2.644 20 5 CFBDRO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526032 394290608 /nfs/dbraw/zinc/29/06/08/394290608.db2.gz KWVCUKXMQUWPKQ-XHDPSFHLSA-N 1 0 277.368 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCC[NH2+]C1CC1)CCC2 ZINC000423567193 394298180 /nfs/dbraw/zinc/29/81/80/394298180.db2.gz VAKGTIRVBCMQDX-INIZCTEOSA-N 1 0 289.379 2.704 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423573197 394298894 /nfs/dbraw/zinc/29/88/94/394298894.db2.gz ZDUVPWLSMYBJTE-TZMCWYRMSA-N 1 0 277.368 2.696 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423573194 394299287 /nfs/dbraw/zinc/29/92/87/394299287.db2.gz ZDUVPWLSMYBJTE-GXTWGEPZSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000450860022 394342359 /nfs/dbraw/zinc/34/23/59/394342359.db2.gz NMQDNWOMMHOAME-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO CCOC[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000494216613 394344786 /nfs/dbraw/zinc/34/47/86/394344786.db2.gz PPFZANPNBOEYHW-WMADIVHISA-N 1 0 264.325 2.623 20 5 CFBDRO CCOC[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000494216612 394345055 /nfs/dbraw/zinc/34/50/55/394345055.db2.gz PPFZANPNBOEYHW-VFFGBVLKSA-N 1 0 264.325 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)CCC2 ZINC000453381478 394393150 /nfs/dbraw/zinc/39/31/50/394393150.db2.gz LFOGJWQTQOBRAL-VBNZEHGJSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453351271 394389569 /nfs/dbraw/zinc/38/95/69/394389569.db2.gz PRNUBZPAHKLYNM-NEPJUHHUSA-N 1 0 288.351 2.610 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](CC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000453397321 394396008 /nfs/dbraw/zinc/39/60/08/394396008.db2.gz IEQKYPYKUYVOJJ-KBPBESRZSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000537975716 394597608 /nfs/dbraw/zinc/59/76/08/394597608.db2.gz ZPQHFYMGSNITRB-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC[S@](C)=O ZINC000539054286 394621237 /nfs/dbraw/zinc/62/12/37/394621237.db2.gz FOYXPHNPAJPUII-PVUDRZGPSA-N 1 0 298.408 2.711 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000539058101 394621326 /nfs/dbraw/zinc/62/13/26/394621326.db2.gz FDWBYDWAAFIHCV-PVUDRZGPSA-N 1 0 298.408 2.711 20 5 CFBDRO C[C@H](O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000545949879 394810365 /nfs/dbraw/zinc/81/03/65/394810365.db2.gz BVIQPIQDFFKLTR-NBVGUUKWSA-N 1 0 290.363 2.701 20 5 CFBDRO COc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000548753011 394950798 /nfs/dbraw/zinc/95/07/98/394950798.db2.gz HRYFFASBMDEGBR-AOOOYVTPSA-N 1 0 250.298 2.586 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000558254439 395056063 /nfs/dbraw/zinc/05/60/63/395056063.db2.gz CHJZDLAXJGODEA-STQMWFEESA-N 1 0 280.368 2.818 20 5 CFBDRO Cc1ccc(C[NH2+]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000558649020 395067832 /nfs/dbraw/zinc/06/78/32/395067832.db2.gz AZTKRFFQWYMSJY-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558699544 395072372 /nfs/dbraw/zinc/07/23/72/395072372.db2.gz VJSZQKSQBFKXTR-BFHYXJOUSA-N 1 0 260.337 2.916 20 5 CFBDRO Cc1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301832461 292132569 /nfs/dbraw/zinc/13/25/69/292132569.db2.gz UCTQMZQMUBKTBW-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])cc1C ZINC000356600124 155313211 /nfs/dbraw/zinc/31/32/11/155313211.db2.gz MIRCNJZTFKEQIW-UHFFFAOYSA-N 1 0 294.399 2.644 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000356739686 155347329 /nfs/dbraw/zinc/34/73/29/155347329.db2.gz ONBRVWSFBVGAJP-CQSZACIVSA-N 1 0 288.351 2.815 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000123626942 292296972 /nfs/dbraw/zinc/29/69/72/292296972.db2.gz WKIMMOCIHAGJDJ-WFASDCNBSA-N 1 0 280.368 2.961 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000343247778 154155007 /nfs/dbraw/zinc/15/50/07/154155007.db2.gz AJBUYXGTXSEHGH-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO CC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000345540670 154200107 /nfs/dbraw/zinc/20/01/07/154200107.db2.gz KGZKTNGPRFIPTC-ZDUSSCGKSA-N 1 0 293.367 2.962 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000348134166 154334445 /nfs/dbraw/zinc/33/44/45/154334445.db2.gz FSWXVBBCASGQFF-WCQYABFASA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CCC1 ZINC000348203849 154361922 /nfs/dbraw/zinc/36/19/22/154361922.db2.gz DQMCDEJGAITZJK-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000355775099 155082146 /nfs/dbraw/zinc/08/21/46/155082146.db2.gz HGZHGFZJENXVQQ-JQWIXIFHSA-N 1 0 282.315 2.639 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000374863218 157165866 /nfs/dbraw/zinc/16/58/66/157165866.db2.gz NTAYTYFHJWZEIP-OLZOCXBDSA-N 1 0 294.326 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1F ZINC000374911982 157171834 /nfs/dbraw/zinc/17/18/34/157171834.db2.gz MESUTHFBNDILRL-LBPRGKRZSA-N 1 0 264.300 2.966 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375019417 157184737 /nfs/dbraw/zinc/18/47/37/157184737.db2.gz MBERLBODXUDGOR-IOASZLSFSA-N 1 0 289.379 2.682 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@]12CCOC2 ZINC000375302631 157222371 /nfs/dbraw/zinc/22/23/71/157222371.db2.gz MEMJXILAOPCVDT-WUTVXBCWSA-N 1 0 288.347 2.863 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000224265290 161537098 /nfs/dbraw/zinc/53/70/98/161537098.db2.gz SJKLRCYXXGRAKX-GFCCVEGCSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000344395752 162035346 /nfs/dbraw/zinc/03/53/46/162035346.db2.gz RTQNFVIZFQNWIJ-HUUCEWRRSA-N 1 0 294.326 2.781 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344440085 162043542 /nfs/dbraw/zinc/04/35/42/162043542.db2.gz UELHMSOSLUTADR-ZDUSSCGKSA-N 1 0 278.356 2.666 20 5 CFBDRO COC1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344600111 162075311 /nfs/dbraw/zinc/07/53/11/162075311.db2.gz GWVAOUHPPJCMEG-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344619200 162083623 /nfs/dbraw/zinc/08/36/23/162083623.db2.gz WACIIDGIAPCCBE-FZSTZKMBSA-N 1 0 292.379 2.995 20 5 CFBDRO CO[C@H](CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000344800997 162123744 /nfs/dbraw/zinc/12/37/44/162123744.db2.gz WDFJEECKRIKKQK-LLVKDONJSA-N 1 0 292.257 2.652 20 5 CFBDRO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344902824 162145250 /nfs/dbraw/zinc/14/52/50/162145250.db2.gz TXMXKVSDIAJXHX-LLVKDONJSA-N 1 0 260.293 2.909 20 5 CFBDRO CCOCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344903651 162145418 /nfs/dbraw/zinc/14/54/18/162145418.db2.gz OFKFMRNPTBOXJD-FMIVXFBMSA-N 1 0 264.325 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nccs2)c(F)c1 ZINC000350242497 163067998 /nfs/dbraw/zinc/06/79/98/163067998.db2.gz DUSSIZVICKQXIF-UHFFFAOYSA-N 1 0 295.339 2.913 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350291618 163069379 /nfs/dbraw/zinc/06/93/79/163069379.db2.gz VTONSECERWTXBH-CUOATXAZSA-N 1 0 296.342 2.883 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350291619 163070637 /nfs/dbraw/zinc/07/06/37/163070637.db2.gz VTONSECERWTXBH-OWYVNGRQSA-N 1 0 296.342 2.883 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350312002 163072883 /nfs/dbraw/zinc/07/28/83/163072883.db2.gz LHKNWRRPLKWCRQ-HZMBPMFUSA-N 1 0 284.331 2.621 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C)nc2)cc1[N+](=O)[O-] ZINC000351737531 163184674 /nfs/dbraw/zinc/18/46/74/163184674.db2.gz UCXAWQCTNDOWFT-NSHDSACASA-N 1 0 286.335 2.852 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CO)C1CCCC1 ZINC000352677901 163220733 /nfs/dbraw/zinc/22/07/33/163220733.db2.gz LURJIPGTVKUKAE-ZDUSSCGKSA-N 1 0 298.770 2.889 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352816340 163240563 /nfs/dbraw/zinc/24/05/63/163240563.db2.gz OTMFHGBDFRNUAQ-CMPLNLGQSA-N 1 0 296.392 2.835 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000353131844 163314051 /nfs/dbraw/zinc/31/40/51/163314051.db2.gz ZJFJWMAZBSBKIG-HNNXBMFYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170744930 287145077 /nfs/dbraw/zinc/14/50/77/287145077.db2.gz ORGFENHSZBSWPD-BBRMVZONSA-N 1 0 289.379 2.826 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000020523393 171236081 /nfs/dbraw/zinc/23/60/81/171236081.db2.gz RZDCTGBTDXBWRN-SNVBAGLBSA-N 1 0 252.314 2.738 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000284753902 196125763 /nfs/dbraw/zinc/12/57/63/196125763.db2.gz LPVKBYODRSUPFP-CABCVRRESA-N 1 0 294.326 2.877 20 5 CFBDRO CCOC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000284956159 196164326 /nfs/dbraw/zinc/16/43/26/196164326.db2.gz FGJJCLQTKTUNRF-FZMZJTMJSA-N 1 0 295.383 2.889 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000285144360 196206128 /nfs/dbraw/zinc/20/61/28/196206128.db2.gz OTZNOOYDDPSNLD-DYEKYZERSA-N 1 0 278.352 2.918 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285143418 196206164 /nfs/dbraw/zinc/20/61/64/196206164.db2.gz LXNFPSJDTZRAGD-GRYCIOLGSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000035601101 172288926 /nfs/dbraw/zinc/28/89/26/172288926.db2.gz OIKITPOQMGZSNB-BLLLJJGKSA-N 1 0 286.331 2.979 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000035601102 172289387 /nfs/dbraw/zinc/28/93/87/172289387.db2.gz OIKITPOQMGZSNB-MLGOLLRUSA-N 1 0 286.331 2.979 20 5 CFBDRO CC(C)COCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285281796 196240170 /nfs/dbraw/zinc/24/01/70/196240170.db2.gz JNRGVNSASYUVDG-UHFFFAOYSA-N 1 0 280.368 2.742 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000285281462 196240573 /nfs/dbraw/zinc/24/05/73/196240573.db2.gz RGWWXFHCEMXUAZ-MNOVXSKESA-N 1 0 293.367 2.643 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncc(F)c1 ZINC000285299205 196244238 /nfs/dbraw/zinc/24/42/38/196244238.db2.gz LATGTKMGZNCEOH-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000285367876 196263044 /nfs/dbraw/zinc/26/30/44/196263044.db2.gz BYQZXYHKIHZOMV-OAHLLOKOSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000285432336 196281956 /nfs/dbraw/zinc/28/19/56/196281956.db2.gz YQEYUMRMVHTTBG-VIFPVBQESA-N 1 0 294.742 2.865 20 5 CFBDRO CC[C@@H]([NH2+]CCN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010426 172868774 /nfs/dbraw/zinc/86/87/74/172868774.db2.gz SQGHRRKHTJNWJL-OAHLLOKOSA-N 1 0 279.384 2.977 20 5 CFBDRO C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176870 173010755 /nfs/dbraw/zinc/01/07/55/173010755.db2.gz DQZPBKBQQBIOQM-LBPRGKRZSA-N 1 0 279.384 2.833 20 5 CFBDRO CCC[C@@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285715969 196376669 /nfs/dbraw/zinc/37/66/69/196376669.db2.gz WRCSAAUXGLPUSE-OAHLLOKOSA-N 1 0 294.351 2.522 20 5 CFBDRO CC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000038098339 174113132 /nfs/dbraw/zinc/11/31/32/174113132.db2.gz KDEXWNILDFFQMJ-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO CCCCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000040507241 174303182 /nfs/dbraw/zinc/30/31/82/174303182.db2.gz XNRXSPORFTVJAW-UHFFFAOYSA-N 1 0 266.341 2.810 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040623932 174356051 /nfs/dbraw/zinc/35/60/51/174356051.db2.gz XPBZFLPULRPYCX-LLVKDONJSA-N 1 0 281.331 2.876 20 5 CFBDRO Cc1c(NC(=O)CC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000043588705 175073107 /nfs/dbraw/zinc/07/31/07/175073107.db2.gz OZBHJEZSNOFRJN-GFCCVEGCSA-N 1 0 291.351 2.622 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000044499298 175184316 /nfs/dbraw/zinc/18/43/16/175184316.db2.gz WKIOQQZVGZHBKZ-QWRGUYRKSA-N 1 0 274.324 2.740 20 5 CFBDRO CCCCOCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000061012080 175642033 /nfs/dbraw/zinc/64/20/33/175642033.db2.gz VZXGOCFJDSUVPX-UHFFFAOYSA-N 1 0 266.341 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077466057 177271817 /nfs/dbraw/zinc/27/18/17/177271817.db2.gz QTPRNJKIJXGTNJ-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348328066 226447285 /nfs/dbraw/zinc/44/72/85/226447285.db2.gz GCTVPMBQQCQNPY-XROYCOCOSA-N 1 0 256.252 2.899 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000222589560 270255124 /nfs/dbraw/zinc/25/51/24/270255124.db2.gz DRJDXHPKPMEZPV-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000222796390 270255166 /nfs/dbraw/zinc/25/51/66/270255166.db2.gz YWIFKUIKSSBFME-GVXVVHGQSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc[nH]n1 ZINC000526046463 260174927 /nfs/dbraw/zinc/17/49/27/260174927.db2.gz BNCCWGJAFJHUCL-YRNVUSSQSA-N 1 0 272.308 2.511 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313320260 260283594 /nfs/dbraw/zinc/28/35/94/260283594.db2.gz IXTQAURNQIFJIV-KRWDZBQOSA-N 1 0 297.358 2.741 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000313338652 260285751 /nfs/dbraw/zinc/28/57/51/260285751.db2.gz ZUFZMDLSDFHRGA-KRWDZBQOSA-N 1 0 297.358 2.741 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272748160 263008485 /nfs/dbraw/zinc/00/84/85/263008485.db2.gz DRCPJLNSCHUNTO-GFCCVEGCSA-N 1 0 275.352 2.966 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093232584 263309783 /nfs/dbraw/zinc/30/97/83/263309783.db2.gz IUSAZAULDHPZAW-VXGBXAGGSA-N 1 0 263.341 2.798 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000094195392 265223534 /nfs/dbraw/zinc/22/35/34/265223534.db2.gz QRSLCMZZUHZSGO-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[C@@H]([NH2+]CC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397868671 270319901 /nfs/dbraw/zinc/31/99/01/270319901.db2.gz DVJCOLKPMQUAJF-CQSZACIVSA-N 1 0 277.368 2.730 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414495458 270331251 /nfs/dbraw/zinc/33/12/51/270331251.db2.gz HEGASVPCPKGFCO-CMPLNLGQSA-N 1 0 266.366 2.887 20 5 CFBDRO C[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000514799748 270355321 /nfs/dbraw/zinc/35/53/21/270355321.db2.gz XWYKNXIJNYNELN-ZFWWWQNUSA-N 1 0 276.336 2.741 20 5 CFBDRO CSCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515500565 270372044 /nfs/dbraw/zinc/37/20/44/270372044.db2.gz SUSKEBRPASNIOU-LBPRGKRZSA-N 1 0 266.366 2.925 20 5 CFBDRO CC1(C)C[C@H](N[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331884484 273589581 /nfs/dbraw/zinc/58/95/81/273589581.db2.gz CHUKHSBSDPZXKI-NHYWBVRUSA-N 1 0 289.379 2.659 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295164038 273592328 /nfs/dbraw/zinc/59/23/28/273592328.db2.gz FQZQHYXRUOMLSO-GFCCVEGCSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000231883848 274661447 /nfs/dbraw/zinc/66/14/47/274661447.db2.gz HBDSMJHLWRMJGE-CFVMTHIKSA-N 1 0 290.363 2.806 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000148564585 275033677 /nfs/dbraw/zinc/03/36/77/275033677.db2.gz ALWDUXLTXNAYHR-WDEREUQCSA-N 1 0 296.758 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000362452071 275035207 /nfs/dbraw/zinc/03/52/07/275035207.db2.gz MXTYFZWOKSQEOZ-GDBMZVCRSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054771840 275040268 /nfs/dbraw/zinc/04/02/68/275040268.db2.gz DMENHEVTWVZMAR-UHFFFAOYSA-N 1 0 297.358 2.917 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000192538649 275040826 /nfs/dbraw/zinc/04/08/26/275040826.db2.gz YRUOPPXMKGSDLI-LLVKDONJSA-N 1 0 296.396 2.506 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC1 ZINC000344853641 275398313 /nfs/dbraw/zinc/39/83/13/275398313.db2.gz JKIJUFNNZJSCMA-KAMYIIQDSA-N 1 0 289.379 2.684 20 5 CFBDRO CC1(C)C[C@@H](NC2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000332026523 275859725 /nfs/dbraw/zinc/85/97/25/275859725.db2.gz VDYWJSAYVJCDBP-OAHLLOKOSA-N 1 0 289.379 2.659 20 5 CFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298674361 275951581 /nfs/dbraw/zinc/95/15/81/275951581.db2.gz KYWJEXFCUXQOFE-JTQLQIEISA-N 1 0 279.340 2.700 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000185173186 276113025 /nfs/dbraw/zinc/11/30/25/276113025.db2.gz MQWKOGSNMJOSTG-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176984 276187405 /nfs/dbraw/zinc/18/74/05/276187405.db2.gz FBXHDZXBFRSXIO-WFASDCNBSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000349976601 276250195 /nfs/dbraw/zinc/25/01/95/276250195.db2.gz PVXRRYNBJNDEGD-KBPBESRZSA-N 1 0 291.395 2.818 20 5 CFBDRO CCOCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000312022988 276452064 /nfs/dbraw/zinc/45/20/64/276452064.db2.gz VQMHMSMTEROYAM-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453061374 276558955 /nfs/dbraw/zinc/55/89/55/276558955.db2.gz SQTLZQDNLHMVKK-TUAOUCFPSA-N 1 0 266.345 2.663 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000292476555 276870469 /nfs/dbraw/zinc/87/04/69/276870469.db2.gz LKQYMEIXOMSHCC-JTQLQIEISA-N 1 0 283.759 2.779 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292928624 277087345 /nfs/dbraw/zinc/08/73/45/277087345.db2.gz ZBMXRNLNUBEURS-HNNXBMFYSA-N 1 0 275.352 2.517 20 5 CFBDRO COCCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230864849 277202509 /nfs/dbraw/zinc/20/25/09/277202509.db2.gz FSXBZAMVYRQEPU-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CC(C)c1ccc(CN2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347031545 278035718 /nfs/dbraw/zinc/03/57/18/278035718.db2.gz ADNSOJIZHKQOTA-CYBMUJFWSA-N 1 0 277.368 2.641 20 5 CFBDRO CC(C)c1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346649161 278036936 /nfs/dbraw/zinc/03/69/36/278036936.db2.gz GMRSUUJQTMHIQS-GXTWGEPZSA-N 1 0 291.395 2.887 20 5 CFBDRO C[C@H](CN(C)C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294784 278178326 /nfs/dbraw/zinc/17/83/26/278178326.db2.gz RFVOUABSNTYUFK-IAQYHMDHSA-N 1 0 291.395 2.857 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996959 278276937 /nfs/dbraw/zinc/27/69/37/278276937.db2.gz ICZMUSOUUHCTFD-BFQNTYOBSA-N 1 0 289.379 2.728 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000135687008 278342245 /nfs/dbraw/zinc/34/22/45/278342245.db2.gz WUBQMGZSEUFRCW-LLVKDONJSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000248896602 278364794 /nfs/dbraw/zinc/36/47/94/278364794.db2.gz KVHCWRITJUNFBI-MISXGVKJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000222511575 278365604 /nfs/dbraw/zinc/36/56/04/278365604.db2.gz FKIKAWUKGAZWSA-ZJUUUORDSA-N 1 0 260.297 2.730 20 5 CFBDRO C[C@H]1[C@@H]([NH3+])CCN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420243197 278536325 /nfs/dbraw/zinc/53/63/25/278536325.db2.gz CIGOEHGFLWYBIV-RCOVLWMOSA-N 1 0 290.150 2.828 20 5 CFBDRO Cc1cccc(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277288012 278922157 /nfs/dbraw/zinc/92/21/57/278922157.db2.gz ZGLCNSQRPCAFHM-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[C@H](N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423574294 288087818 /nfs/dbraw/zinc/08/78/18/288087818.db2.gz ZQCJNNQBMJPUKU-ZFWWWQNUSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000286582554 279088835 /nfs/dbraw/zinc/08/88/35/279088835.db2.gz YLAIFWMAFYZWEF-OLZOCXBDSA-N 1 0 275.352 2.658 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127642614 279145467 /nfs/dbraw/zinc/14/54/67/279145467.db2.gz BYBKHCDCWRUGBY-QWHCGFSZSA-N 1 0 279.384 2.976 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037154675 279387259 /nfs/dbraw/zinc/38/72/59/279387259.db2.gz WYZOALKDISKABT-NEPJUHHUSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000252884114 279533536 /nfs/dbraw/zinc/53/35/36/279533536.db2.gz WAMSNLOFSCXRQH-TUKIKUTGSA-N 1 0 278.352 2.939 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000183341711 279536038 /nfs/dbraw/zinc/53/60/38/279536038.db2.gz ZCFJYGOIKNTZBF-AAEUAGOBSA-N 1 0 264.325 2.815 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123703140 279831089 /nfs/dbraw/zinc/83/10/89/279831089.db2.gz NCNHWURARUJEDQ-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119962012 280111022 /nfs/dbraw/zinc/11/10/22/280111022.db2.gz DHQILTJENQVSNL-WOPDTQHZSA-N 1 0 293.367 2.549 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154604719 280189528 /nfs/dbraw/zinc/18/95/28/280189528.db2.gz XQPOBWLOLAWMRU-LSDHHAIUSA-N 1 0 277.368 2.730 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278896921 280233505 /nfs/dbraw/zinc/23/35/05/280233505.db2.gz ZBRYZFSSAZKVCZ-JKSUJKDBSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000459781533 280584478 /nfs/dbraw/zinc/58/44/78/280584478.db2.gz SVAZRMABMUDJKL-GDLCADMTSA-N 1 0 264.325 2.813 20 5 CFBDRO COc1ccc(C[NH2+]CCCCSC)cc1[N+](=O)[O-] ZINC000130484360 280704661 /nfs/dbraw/zinc/70/46/61/280704661.db2.gz CDAPSELKEKEFMT-UHFFFAOYSA-N 1 0 284.381 2.836 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000186174701 280844632 /nfs/dbraw/zinc/84/46/32/280844632.db2.gz JQGSZKNJUKVUKJ-UHFFFAOYSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCOC(F)F ZINC000193663629 280916839 /nfs/dbraw/zinc/91/68/39/280916839.db2.gz SFLNWJKDVSTVAU-UHFFFAOYSA-N 1 0 274.267 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)c1 ZINC000268016637 281012347 /nfs/dbraw/zinc/01/23/47/281012347.db2.gz GPATXLMLTWXTLR-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286724532 281019535 /nfs/dbraw/zinc/01/95/35/281019535.db2.gz XJSCNFQLEVVXKC-KCPJHIHWSA-N 1 0 278.352 2.809 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420995146 281019723 /nfs/dbraw/zinc/01/97/23/281019723.db2.gz DESJMKCGDCLOHI-UKRRQHHQSA-N 1 0 291.395 2.990 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000245532466 281020562 /nfs/dbraw/zinc/02/05/62/281020562.db2.gz UPSXPRWLXUHSQJ-KGLIPLIRSA-N 1 0 291.395 2.848 20 5 CFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C ZINC000249332870 281055572 /nfs/dbraw/zinc/05/55/72/281055572.db2.gz HRVBVIWEYASMOV-OCCSQVGLSA-N 1 0 280.372 2.692 20 5 CFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249749244 281065906 /nfs/dbraw/zinc/06/59/06/281065906.db2.gz FVYWDQNEVWPZEM-TUAOUCFPSA-N 1 0 293.367 2.549 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000397824719 281202775 /nfs/dbraw/zinc/20/27/75/281202775.db2.gz GBOHAYVQBPCKCJ-PWSUYJOCSA-N 1 0 266.366 2.887 20 5 CFBDRO Cc1cccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000275376679 281229147 /nfs/dbraw/zinc/22/91/47/281229147.db2.gz ASFOPDNTVCNLJF-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154478751 281294132 /nfs/dbraw/zinc/29/41/32/281294132.db2.gz WFWZLAFADHGUHC-HOCLYGCPSA-N 1 0 292.379 2.667 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000531582493 281433584 /nfs/dbraw/zinc/43/35/84/281433584.db2.gz JOAQESWBKRXJGZ-LLVKDONJSA-N 1 0 295.383 2.992 20 5 CFBDRO COc1cc(C[NH+]2C3CCC2CC3)ccc1[N+](=O)[O-] ZINC000538703446 281557444 /nfs/dbraw/zinc/55/74/44/281557444.db2.gz VPBFAQUXEHOVKC-UHFFFAOYSA-N 1 0 262.309 2.730 20 5 CFBDRO COCC1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000540745604 281589388 /nfs/dbraw/zinc/58/93/88/281589388.db2.gz BXOIOJZUINLXPU-LLVKDONJSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1cc(N[C@H]2C[C@@H]2C(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000561437472 282054343 /nfs/dbraw/zinc/05/43/43/282054343.db2.gz CDQDFXRGZPWQSZ-GWCFXTLKSA-N 1 0 293.273 2.939 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000038079364 289823432 /nfs/dbraw/zinc/82/34/32/289823432.db2.gz AHKDDOKZPDWHSD-UHFFFAOYSA-N 1 0 290.294 2.903 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154535776 289897410 /nfs/dbraw/zinc/89/74/10/289897410.db2.gz FESCYECDPFEXFJ-FZMZJTMJSA-N 1 0 266.341 2.715 20 5 CFBDRO CC(C)(C)OCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000308752627 290012917 /nfs/dbraw/zinc/01/29/17/290012917.db2.gz VCMSCIQYMFPNPN-UHFFFAOYSA-N 1 0 258.343 2.561 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CC(O)C1 ZINC000562406835 290040912 /nfs/dbraw/zinc/04/09/12/290040912.db2.gz FDHBMLZDKRZUDP-DCBWTQNWSA-N 1 0 278.352 2.715 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000562535310 290052520 /nfs/dbraw/zinc/05/25/20/290052520.db2.gz GFEKFXRQJBZTGE-SNVZYIDKSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000295836862 290060321 /nfs/dbraw/zinc/06/03/21/290060321.db2.gz ZFPKNYSHQQOMTM-BLFANLJRSA-N 1 0 264.325 2.811 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000563122202 290105617 /nfs/dbraw/zinc/10/56/17/290105617.db2.gz LHTWGKGUQCIPJG-HPJOQNQSSA-N 1 0 276.336 2.765 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000563216794 290119572 /nfs/dbraw/zinc/11/95/72/290119572.db2.gz LFNZZQOUPRWKNF-SWLSCSKDSA-N 1 0 292.379 2.971 20 5 CFBDRO [NH3+]CCC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000563231875 290121639 /nfs/dbraw/zinc/12/16/39/290121639.db2.gz QSKMYBFYDQYUJH-HYXAFXHYSA-N 1 0 289.379 2.669 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417762 290147053 /nfs/dbraw/zinc/14/70/53/290147053.db2.gz LLKIBNPXJYLSIE-UKRRQHHQSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000563419268 290147062 /nfs/dbraw/zinc/14/70/62/290147062.db2.gz SPHWPNAOTHXGEL-FZMZJTMJSA-N 1 0 276.336 2.598 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564039979 290189417 /nfs/dbraw/zinc/18/94/17/290189417.db2.gz WEECXSDFBCMFGJ-LEWSCRJBSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272172248 290233862 /nfs/dbraw/zinc/23/38/62/290233862.db2.gz IGOWSNUECMCUQL-IINYFYTJSA-N 1 0 295.770 2.779 20 5 CFBDRO CC(C)c1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000564968772 290253638 /nfs/dbraw/zinc/25/36/38/290253638.db2.gz DLTGHZDUVKXEDT-ZDUSSCGKSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292116395 290267942 /nfs/dbraw/zinc/26/79/42/290267942.db2.gz JQNRKQKADOMMCQ-CZUORRHYSA-N 1 0 289.379 2.683 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000566220584 290359933 /nfs/dbraw/zinc/35/99/33/290359933.db2.gz KHIDOAYPTOWVBR-DYEKYZERSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475896 290392206 /nfs/dbraw/zinc/39/22/06/290392206.db2.gz QSBMYPGXWNZQNG-SMDDNHRTSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCOC1 ZINC000567405974 290461762 /nfs/dbraw/zinc/46/17/62/290461762.db2.gz CDFOLRGKRBLIAO-WDMOLILDSA-N 1 0 276.336 2.597 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000567992542 290512839 /nfs/dbraw/zinc/51/28/39/290512839.db2.gz UMZJPHYCHAPTES-DOMZBBRYSA-N 1 0 280.368 2.524 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191701948 294338048 /nfs/dbraw/zinc/33/80/48/294338048.db2.gz YDTMLKWXRKLSNV-HBNTYKKESA-N 1 0 252.314 2.669 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000414065734 533697046 /nfs/dbraw/zinc/69/70/46/533697046.db2.gz GGDATEINTNSPIG-FOGDFJRCSA-N 1 0 264.325 2.738 20 5 CFBDRO Cc1nn(C)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000163118324 322372970 /nfs/dbraw/zinc/37/29/70/322372970.db2.gz BJFOJRPKUMYUDP-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](O)C(C)C ZINC000165422221 322385163 /nfs/dbraw/zinc/38/51/63/322385163.db2.gz FYHDJIZZLPKKAR-DOMZBBRYSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCCO ZINC000168273486 322389236 /nfs/dbraw/zinc/38/92/36/322389236.db2.gz ZLZOTIPRHWBONV-NWDGAFQWSA-N 1 0 266.341 2.715 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570695952 322546628 /nfs/dbraw/zinc/54/66/28/322546628.db2.gz CZZKTFHDULPWHR-DJSGYFEHSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571178479 322574167 /nfs/dbraw/zinc/57/41/67/322574167.db2.gz FJBCUFVGVLIDHS-LALPHHSUSA-N 1 0 290.363 2.844 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183252948 323908978 /nfs/dbraw/zinc/90/89/78/323908978.db2.gz HWAOTJRXVRFYKM-INIZCTEOSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC(F)F ZINC000578201529 324826879 /nfs/dbraw/zinc/82/68/79/324826879.db2.gz SAZSGPSDPDYODV-ZJUUUORDSA-N 1 0 288.294 2.570 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC000580193772 325014949 /nfs/dbraw/zinc/01/49/49/325014949.db2.gz UCESPPURRNNYIC-NEPJUHHUSA-N 1 0 252.289 2.965 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449448 325037829 /nfs/dbraw/zinc/03/78/29/325037829.db2.gz QHTRAIXIZRWXDO-GWCFXTLKSA-N 1 0 264.325 2.597 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1CCO ZINC000580725653 325059854 /nfs/dbraw/zinc/05/98/54/325059854.db2.gz VWWMDDUGMZWUPK-GLQYFDAESA-N 1 0 290.363 2.723 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000581260184 325106312 /nfs/dbraw/zinc/10/63/12/325106312.db2.gz FPEJLQOGQMVDNX-VXGBXAGGSA-N 1 0 293.367 2.888 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000581350898 325113365 /nfs/dbraw/zinc/11/33/65/325113365.db2.gz PPHOFPYGJJSPFB-HIFRSBDPSA-N 1 0 290.363 2.760 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736515 325147681 /nfs/dbraw/zinc/14/76/81/325147681.db2.gz YIBGQVYFBJCSEF-BXUZGUMPSA-N 1 0 278.352 2.580 20 5 CFBDRO CCOC[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582629909 325221081 /nfs/dbraw/zinc/22/10/81/325221081.db2.gz PSBDVGPCCYHCOO-NSHDSACASA-N 1 0 291.351 2.633 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054111142 519624716 /nfs/dbraw/zinc/62/47/16/519624716.db2.gz LAVOCMVQMUWDPI-GFCCVEGCSA-N 1 0 265.357 2.586 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000341138279 520419152 /nfs/dbraw/zinc/41/91/52/520419152.db2.gz LJPYONQAMOIUHM-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000357779987 521612114 /nfs/dbraw/zinc/61/21/14/521612114.db2.gz HMDDUUGBMJRAJH-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC23CCCC3)c([N+](=O)[O-])cc1O ZINC000428544201 533894451 /nfs/dbraw/zinc/89/44/51/533894451.db2.gz GXKACYSPCKLUCI-CQSZACIVSA-N 1 0 292.335 2.731 20 5 CFBDRO C[C@@H]1CCNC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917286 534084344 /nfs/dbraw/zinc/08/43/44/534084344.db2.gz FVSXOXWOMYVFRY-CJNGLKHVSA-N 1 0 291.395 2.505 20 5 CFBDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000422942449 534178416 /nfs/dbraw/zinc/17/84/16/534178416.db2.gz KFLFBDYXDBXROB-SUMWQHHRSA-N 1 0 299.374 2.643 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449651294 536011373 /nfs/dbraw/zinc/01/13/73/536011373.db2.gz VQYXZSHNBICXAK-WHOFXGATSA-N 1 0 280.368 2.665 20 5 CFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000339388748 519371858 /nfs/dbraw/zinc/37/18/58/519371858.db2.gz JJAURGZBKUVENE-JTQLQIEISA-N 1 0 276.296 2.691 20 5 CFBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359545 519827350 /nfs/dbraw/zinc/82/73/50/519827350.db2.gz QPVSAQQXYSAJGB-GOEBONIOSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)c1ccc(C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000305720990 519835907 /nfs/dbraw/zinc/83/59/07/519835907.db2.gz BBGWYESMOTVGMX-UHFFFAOYSA-N 1 0 278.352 2.675 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191722600 519836088 /nfs/dbraw/zinc/83/60/88/519836088.db2.gz HCRIOXQCPUBKSU-OCCSQVGLSA-N 1 0 292.379 2.778 20 5 CFBDRO CC[NH+](CC)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000218821325 520690492 /nfs/dbraw/zinc/69/04/92/520690492.db2.gz VUDFCIJJJSTMMX-UHFFFAOYSA-N 1 0 251.330 2.657 20 5 CFBDRO CCN(CC)[C@@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237042106 520830106 /nfs/dbraw/zinc/83/01/06/520830106.db2.gz MNRGWDNSTYLZOZ-PLWJUESGSA-N 1 0 291.395 2.928 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CSC1(C)C ZINC000338478801 521281808 /nfs/dbraw/zinc/28/18/08/521281808.db2.gz WLECFILXCVVBCP-CYBMUJFWSA-N 1 0 296.392 2.977 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])cc1 ZINC000420281489 534572451 /nfs/dbraw/zinc/57/24/51/534572451.db2.gz MBDGASPOJNNQPP-QLHKPRNWSA-N 1 0 261.325 2.523 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000357779991 521613719 /nfs/dbraw/zinc/61/37/19/521613719.db2.gz HMDDUUGBMJRAJH-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)c1[N+](=O)[O-] ZINC000233487625 521641650 /nfs/dbraw/zinc/64/16/50/521641650.db2.gz HZNZLUPGGHORHF-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1occc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000414360905 534577112 /nfs/dbraw/zinc/57/71/12/534577112.db2.gz ROQUJAPZKCPEHX-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072926294 521760462 /nfs/dbraw/zinc/76/04/62/521760462.db2.gz RNISOGSICLXKIC-UKRRQHHQSA-N 1 0 278.352 2.888 20 5 CFBDRO [NH3+]CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423196259 534615669 /nfs/dbraw/zinc/61/56/69/534615669.db2.gz UZELPGSMTGKIJN-INIZCTEOSA-N 1 0 285.347 2.623 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000142109675 522298762 /nfs/dbraw/zinc/29/87/62/522298762.db2.gz FIXVGTLPNMQKKE-UTUOFQBUSA-N 1 0 293.367 2.946 20 5 CFBDRO COCCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443964 523174547 /nfs/dbraw/zinc/17/45/47/523174547.db2.gz LPVVNQDVLCRRFR-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000227830429 523775608 /nfs/dbraw/zinc/77/56/08/523775608.db2.gz RAMVWKZXWPSBEO-UONOGXRCSA-N 1 0 278.352 2.806 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000227828802 524020578 /nfs/dbraw/zinc/02/05/78/524020578.db2.gz CFXOJZYBTHRACR-UWVGGRQHSA-N 1 0 270.354 2.559 20 5 CFBDRO C[C@@H](CC[NH+](C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049553860 524473421 /nfs/dbraw/zinc/47/34/21/524473421.db2.gz QJRLUKZRLALFMN-JTQLQIEISA-N 1 0 285.775 2.678 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262087848 524855140 /nfs/dbraw/zinc/85/51/40/524855140.db2.gz UPAIHTKCTAFNSA-GXFFZTMASA-N 1 0 297.786 2.950 20 5 CFBDRO COc1ccc(OCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000173504468 524953284 /nfs/dbraw/zinc/95/32/84/524953284.db2.gz QBQBFEDFYRXBGC-UHFFFAOYSA-N 1 0 294.351 2.858 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173323635 525352766 /nfs/dbraw/zinc/35/27/66/525352766.db2.gz NLCKJXINWHXFKK-KBPBESRZSA-N 1 0 291.395 2.977 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=C(C)CC2)c1 ZINC000338699125 525451234 /nfs/dbraw/zinc/45/12/34/525451234.db2.gz YEOIVUOBEHBAOI-UHFFFAOYSA-N 1 0 291.351 2.667 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230410145 525457945 /nfs/dbraw/zinc/45/79/45/525457945.db2.gz QLGNDNWVAPKJGQ-VXGBXAGGSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000245453919 525590513 /nfs/dbraw/zinc/59/05/13/525590513.db2.gz GIDIVGGDZKMHPU-YMRXKLBXSA-N 1 0 298.342 2.904 20 5 CFBDRO Cc1c(C[NH2+]C2CC(OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000361735079 525721414 /nfs/dbraw/zinc/72/14/14/525721414.db2.gz QVPRPZHIQSOLDL-UHFFFAOYSA-N 1 0 278.352 2.949 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000235963472 525728859 /nfs/dbraw/zinc/72/88/59/525728859.db2.gz GAIRNZKDOQCSOT-UKRRQHHQSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553665 525744090 /nfs/dbraw/zinc/74/40/90/525744090.db2.gz STSSAUKYOCBMDB-CHWSQXEVSA-N 1 0 279.384 2.894 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000368764446 525850427 /nfs/dbraw/zinc/85/04/27/525850427.db2.gz GNUJUOGFSHNNHZ-KGLIPLIRSA-N 1 0 296.392 2.951 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339396933 526066211 /nfs/dbraw/zinc/06/62/11/526066211.db2.gz PZLUNTHLXRPOPI-GFCCVEGCSA-N 1 0 290.323 2.999 20 5 CFBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])OCC1CC1 ZINC000414513683 527171677 /nfs/dbraw/zinc/17/16/77/527171677.db2.gz GNLIRMKCXQEXAF-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156318540 527349359 /nfs/dbraw/zinc/34/93/59/527349359.db2.gz XSKNHZKVXPERNN-INIZCTEOSA-N 1 0 299.330 2.643 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156164855 527389731 /nfs/dbraw/zinc/38/97/31/527389731.db2.gz SAEPOZRSVAQEKG-WDEREUQCSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCCF ZINC000361046298 527398101 /nfs/dbraw/zinc/39/81/01/527398101.db2.gz WHKLGAFEOCZGGO-FNORWQNLSA-N 1 0 252.289 2.947 20 5 CFBDRO Cc1ncsc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000071212592 527510256 /nfs/dbraw/zinc/51/02/56/527510256.db2.gz BJRSKYAGABFOAH-UHFFFAOYSA-N 1 0 263.322 2.650 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414921088 528100460 /nfs/dbraw/zinc/10/04/60/528100460.db2.gz DDIDTZUFBWIKQZ-IUODEOHRSA-N 1 0 291.395 2.806 20 5 CFBDRO CCNCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847517 528335568 /nfs/dbraw/zinc/33/55/68/528335568.db2.gz OWAVEXIBXCIJES-HIFRSBDPSA-N 1 0 291.395 2.505 20 5 CFBDRO CCC[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423307946 528515482 /nfs/dbraw/zinc/51/54/82/528515482.db2.gz IILPBGVDOQBEFN-GFCCVEGCSA-N 1 0 265.357 2.553 20 5 CFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000174839793 528916776 /nfs/dbraw/zinc/91/67/76/528916776.db2.gz YOWZBWOVRDFCDO-UHFFFAOYSA-N 1 0 280.372 2.834 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000449788351 535226678 /nfs/dbraw/zinc/22/66/78/535226678.db2.gz XRFUCWYGDDDYQF-GFCCVEGCSA-N 1 0 283.397 2.571 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000449534985 535917242 /nfs/dbraw/zinc/91/72/42/535917242.db2.gz CSPYJNNRKDVKND-FZMZJTMJSA-N 1 0 280.368 2.967 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753850969 574051235 /nfs/dbraw/zinc/05/12/35/574051235.db2.gz QHYSXMBCDJAVSY-SNVBAGLBSA-N 1 0 288.307 2.629 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000730805959 574097761 /nfs/dbraw/zinc/09/77/61/574097761.db2.gz FRUHKNZQEQAUQO-ZDUSSCGKSA-N 1 0 293.342 2.799 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000747223028 574187882 /nfs/dbraw/zinc/18/78/82/574187882.db2.gz IVAVPISPRYHJIP-ZJUUUORDSA-N 1 0 297.330 2.637 20 5 CFBDRO C[C@H]([N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673244 574304577 /nfs/dbraw/zinc/30/45/77/574304577.db2.gz SWUFIPUGCCVUDB-SMDDNHRTSA-N 1 0 280.368 2.995 20 5 CFBDRO C[C@@H]([N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673241 574304758 /nfs/dbraw/zinc/30/47/58/574304758.db2.gz SWUFIPUGCCVUDB-BXUZGUMPSA-N 1 0 280.368 2.995 20 5 CFBDRO CCCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750039232 574322492 /nfs/dbraw/zinc/32/24/92/574322492.db2.gz HPVPCYFGVGXCEJ-OAHLLOKOSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000742427783 574329811 /nfs/dbraw/zinc/32/98/11/574329811.db2.gz PDKSHCUYLOWTDQ-VIFPVBQESA-N 1 0 284.747 2.539 20 5 CFBDRO CC1(C)CCC[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804661630 617683807 /nfs/dbraw/zinc/68/38/07/617683807.db2.gz ZQYGNPVTWMTLTC-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000300421017 617797294 /nfs/dbraw/zinc/79/72/94/617797294.db2.gz CNBUNUJDSKDXCE-IJLUTSLNSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCC2)c(F)c1 ZINC000934013153 617864196 /nfs/dbraw/zinc/86/41/96/617864196.db2.gz ZYUUYUMRKJFADM-HNNXBMFYSA-N 1 0 296.342 2.765 20 5 CFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000804813511 617895558 /nfs/dbraw/zinc/89/55/58/617895558.db2.gz ZMPVTYQXBBBXHP-UHFFFAOYSA-N 1 0 297.358 2.915 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000892209635 618000132 /nfs/dbraw/zinc/00/01/32/618000132.db2.gz CJNLFJQEGYJTPE-ZJUUUORDSA-N 1 0 280.324 2.539 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)[C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000892217281 618005781 /nfs/dbraw/zinc/00/57/81/618005781.db2.gz DHDPEQILOSFUCY-SNVBAGLBSA-N 1 0 294.351 2.929 20 5 CFBDRO CCOC1CC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000218986647 618152182 /nfs/dbraw/zinc/15/21/82/618152182.db2.gz YVSPEZBOSRMIIM-UHFFFAOYSA-N 1 0 264.325 2.560 20 5 CFBDRO COc1c(O)ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000891446348 618209189 /nfs/dbraw/zinc/20/91/89/618209189.db2.gz XYIXCEWXYUOQII-PHIMTYICSA-N 1 0 294.351 2.787 20 5 CFBDRO CSC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000235254026 618219768 /nfs/dbraw/zinc/21/97/68/618219768.db2.gz XTAQCYHDFLYYJJ-ZDUSSCGKSA-N 1 0 296.392 2.504 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC=C(C)C)c1[N+](=O)[O-] ZINC000893982910 618263759 /nfs/dbraw/zinc/26/37/59/618263759.db2.gz YOXHLGXVOXLSIL-UHFFFAOYSA-N 1 0 280.324 2.755 20 5 CFBDRO [NH3+][C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000925581667 618266970 /nfs/dbraw/zinc/26/69/70/618266970.db2.gz ULZYEBIERMVHPC-OLZOCXBDSA-N 1 0 295.770 2.608 20 5 CFBDRO C[C@@H](Nc1cc(N(C)C)ncn1)c1ccccc1[N+](=O)[O-] ZINC000895085257 618277125 /nfs/dbraw/zinc/27/71/25/618277125.db2.gz GMNALVPKPQYICS-SNVBAGLBSA-N 1 0 287.323 2.624 20 5 CFBDRO CCC(C)(C)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894030257 618282428 /nfs/dbraw/zinc/28/24/28/618282428.db2.gz OSXHUPGASZXZHI-UHFFFAOYSA-N 1 0 282.340 2.835 20 5 CFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000223283654 618304345 /nfs/dbraw/zinc/30/43/45/618304345.db2.gz FGGJIPLNYHIBOE-KCPJHIHWSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[NH+](CCC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351005 618375673 /nfs/dbraw/zinc/37/56/73/618375673.db2.gz OIRSUHMWPOXLQV-AWEZNQCLSA-N 1 0 266.341 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cc(CC[NH+]3CCCCC3)on2)o1 ZINC000901399881 620799858 /nfs/dbraw/zinc/79/98/58/620799858.db2.gz YETFAMXJSKZPPD-UHFFFAOYSA-N 1 0 291.307 2.871 20 5 CFBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000158667277 618413325 /nfs/dbraw/zinc/41/33/25/618413325.db2.gz WRXOHLNADAEBEV-KGLIPLIRSA-N 1 0 296.392 2.504 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894175234 618427464 /nfs/dbraw/zinc/42/74/64/618427464.db2.gz ZLQPWMZUPURXID-MNOVXSKESA-N 1 0 294.351 2.835 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[C@H](C)[NH+](C)C ZINC000895290949 618511761 /nfs/dbraw/zinc/51/17/61/618511761.db2.gz WVFDXHLLWJIAPB-LBPRGKRZSA-N 1 0 279.384 2.641 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000311668147 618719285 /nfs/dbraw/zinc/71/92/85/618719285.db2.gz HINROYCDPJKDAL-JTQLQIEISA-N 1 0 269.320 2.875 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833640 618729689 /nfs/dbraw/zinc/72/96/89/618729689.db2.gz AKANMBVZJFONRA-HNCHTBHHSA-N 1 0 264.325 2.669 20 5 CFBDRO CCOc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000893068013 618820223 /nfs/dbraw/zinc/82/02/23/618820223.db2.gz OOSTUEBMQBNVJK-UHFFFAOYSA-N 1 0 290.319 2.919 20 5 CFBDRO CC[C@@H](CO)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641084 618903690 /nfs/dbraw/zinc/90/36/90/618903690.db2.gz VTMCTDDQHHHUCM-KBPBESRZSA-N 1 0 278.352 2.545 20 5 CFBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000092628207 618917226 /nfs/dbraw/zinc/91/72/26/618917226.db2.gz ZGTFDRPSTKHABH-LBPRGKRZSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313522999 618995912 /nfs/dbraw/zinc/99/59/12/618995912.db2.gz MAAWHOMQYPWZCM-GXFFZTMASA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730148 619031530 /nfs/dbraw/zinc/03/15/30/619031530.db2.gz NWVZRTIZEUTHRR-LERXQTSPSA-N 1 0 275.352 2.515 20 5 CFBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841694909 619168832 /nfs/dbraw/zinc/16/88/32/619168832.db2.gz YRGYRWYEAITYCN-CHWSQXEVSA-N 1 0 280.372 2.895 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000178869873 619261940 /nfs/dbraw/zinc/26/19/40/619261940.db2.gz QRPGCHYWLGBSOM-ZWNOBZJWSA-N 1 0 266.341 2.652 20 5 CFBDRO C[N@H+](CCc1cccc2ccccc21)CC[N+](=O)[O-] ZINC000791052928 619273583 /nfs/dbraw/zinc/27/35/83/619273583.db2.gz PQXUCOLYIJKCNU-UHFFFAOYSA-N 1 0 258.321 2.591 20 5 CFBDRO CN(CCC[NH+](C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894448963 619388629 /nfs/dbraw/zinc/38/86/29/619388629.db2.gz HVQYDUJXGFPGPE-UHFFFAOYSA-N 1 0 285.775 2.632 20 5 CFBDRO Cc1coc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000894580800 619423754 /nfs/dbraw/zinc/42/37/54/619423754.db2.gz VSHZRXFPXKOEKN-UHFFFAOYSA-N 1 0 290.323 2.530 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CCCN2CCSC[C@H]12 ZINC000895565579 619559563 /nfs/dbraw/zinc/55/95/63/619559563.db2.gz ACXHJOHBQFEFBV-MWLCHTKSSA-N 1 0 299.421 2.648 20 5 CFBDRO COC(OC)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895789986 619607366 /nfs/dbraw/zinc/60/73/66/619607366.db2.gz GPIPVPIFOZGIGZ-NWDGAFQWSA-N 1 0 296.367 2.513 20 5 CFBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000896956167 619904472 /nfs/dbraw/zinc/90/44/72/619904472.db2.gz PSKRMLCOPCBJKK-JTQLQIEISA-N 1 0 284.335 2.517 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCC=CCC3)C2)c1 ZINC000897245018 619958342 /nfs/dbraw/zinc/95/83/42/619958342.db2.gz VCHWPXOZCJPPRL-UHFFFAOYSA-N 1 0 290.367 2.831 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000897461778 620176575 /nfs/dbraw/zinc/17/65/75/620176575.db2.gz XFRFBLKZRSCAGY-XUJVJEKNSA-N 1 0 278.352 2.855 20 5 CFBDRO CO[C@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897461370 620176582 /nfs/dbraw/zinc/17/65/82/620176582.db2.gz NQNAROCENLORCC-IAQYHMDHSA-N 1 0 278.352 2.713 20 5 CFBDRO COCC(C)(C)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463210 620177116 /nfs/dbraw/zinc/17/71/16/620177116.db2.gz CCYICEJKVLFNQT-LBPRGKRZSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@@H](C[NH2+]C[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465795 620177209 /nfs/dbraw/zinc/17/72/09/620177209.db2.gz IINJJDGUMKNQAD-STQMWFEESA-N 1 0 278.352 2.715 20 5 CFBDRO COC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897466478 620177472 /nfs/dbraw/zinc/17/74/72/620177472.db2.gz VQAMTLPXMZPULT-FZMZJTMJSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+]Cc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000897468864 620177764 /nfs/dbraw/zinc/17/77/64/620177764.db2.gz ALWTZVLXTPBANM-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCOC1 ZINC000221353330 620234581 /nfs/dbraw/zinc/23/45/81/620234581.db2.gz QXJAKTQOJQARNK-ZDUSSCGKSA-N 1 0 284.743 2.907 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(CCO)C1 ZINC000898010380 620316895 /nfs/dbraw/zinc/31/68/95/620316895.db2.gz FQWYGVPZFXTQHJ-KPKJPENVSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CCO)C1 ZINC000898010447 620316967 /nfs/dbraw/zinc/31/69/67/620316967.db2.gz HHSWIAPHUYUHKG-OPFPJEHXSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ncccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000898251945 620357441 /nfs/dbraw/zinc/35/74/41/620357441.db2.gz RHRVQQUIMMENNX-UHFFFAOYSA-N 1 0 285.347 2.673 20 5 CFBDRO Cc1ccc(C[NH2+]CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000040771975 620419733 /nfs/dbraw/zinc/41/97/33/620419733.db2.gz SSPDBLXZPZESAM-UHFFFAOYSA-N 1 0 291.395 2.725 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C/C=C\Cl ZINC000898430144 620463196 /nfs/dbraw/zinc/46/31/96/620463196.db2.gz VPGUQWDHDYPWMO-IGVIJBNESA-N 1 0 252.701 2.924 20 5 CFBDRO C[C@@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432724 621078308 /nfs/dbraw/zinc/07/83/08/621078308.db2.gz XAMDMSRMMSPFIP-GUTXKFCHSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432725 621078435 /nfs/dbraw/zinc/07/84/35/621078435.db2.gz XAMDMSRMMSPFIP-GZBFAFLISA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902486825 621111937 /nfs/dbraw/zinc/11/19/37/621111937.db2.gz HGRXUPVPPSZYTF-TZMCWYRMSA-N 1 0 277.368 2.778 20 5 CFBDRO Cc1c(OC(=O)CC[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000902719317 621155299 /nfs/dbraw/zinc/15/52/99/621155299.db2.gz MWDUVFHVWKDMNE-UHFFFAOYSA-N 1 0 280.324 2.587 20 5 CFBDRO COc1cc([C@H](C)[NH2+]Cc2cccnc2)cc([N+](=O)[O-])c1 ZINC000903055671 621235380 /nfs/dbraw/zinc/23/53/80/621235380.db2.gz JHLLQGXLUGZTKT-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO COc1cc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083491 621246053 /nfs/dbraw/zinc/24/60/53/621246053.db2.gz IAQFTEJFJZXRCX-VXGBXAGGSA-N 1 0 295.383 2.594 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903083942 621246177 /nfs/dbraw/zinc/24/61/77/621246177.db2.gz RFPFMUMJZOSOHX-NSHDSACASA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)cc([N+](=O)[O-])c1 ZINC000903096348 621259175 /nfs/dbraw/zinc/25/91/75/621259175.db2.gz BNNHEGVCDOXWEA-XHDPSFHLSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCCCCCO)cc([N+](=O)[O-])c1 ZINC000903132371 621263706 /nfs/dbraw/zinc/26/37/06/621263706.db2.gz PEQFJCHBMJFQPZ-LBPRGKRZSA-N 1 0 296.367 2.807 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC2=CCCOC2)cc([N+](=O)[O-])c1 ZINC000903172533 621274273 /nfs/dbraw/zinc/27/42/73/621274273.db2.gz ZWBJPTOFCNTJOG-LLVKDONJSA-N 1 0 292.335 2.601 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903178315 621275988 /nfs/dbraw/zinc/27/59/88/621275988.db2.gz GGAXCTYTNMQYMC-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186732 621285422 /nfs/dbraw/zinc/28/54/22/621285422.db2.gz SVGUMEJWPDBOHN-RYUDHWBXSA-N 1 0 296.367 2.927 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903213722 621290279 /nfs/dbraw/zinc/29/02/79/621290279.db2.gz QCCZVURUNRJZKL-DMDPSCGWSA-N 1 0 296.367 2.804 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246398 621295002 /nfs/dbraw/zinc/29/50/02/621295002.db2.gz UPXLVTLVZALDQF-WCQYABFASA-N 1 0 286.335 2.629 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC000903245308 621296151 /nfs/dbraw/zinc/29/61/51/621296151.db2.gz DKHUZDGDDIJJET-VXGBXAGGSA-N 1 0 286.335 2.839 20 5 CFBDRO C[C@H](C[NH2+]C1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000903245170 621296439 /nfs/dbraw/zinc/29/64/39/621296439.db2.gz JKSPNBTVIAXPSG-PNESKVBLSA-N 1 0 278.352 2.591 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903247187 621305279 /nfs/dbraw/zinc/30/52/79/621305279.db2.gz ZTTIODDZSDLLNS-CORIIIEPSA-N 1 0 278.352 2.855 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903301199 621315947 /nfs/dbraw/zinc/31/59/47/621315947.db2.gz OHBZHEYCRGRRPY-ZOWXZIJZSA-N 1 0 277.368 2.646 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288189 621318942 /nfs/dbraw/zinc/31/89/42/621318942.db2.gz UJIRTFZIOFBGBM-YRGRVCCFSA-N 1 0 289.379 2.871 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000903407298 621362615 /nfs/dbraw/zinc/36/26/15/621362615.db2.gz NORTUTGTDXJRSE-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H](O)C1CC1)CCC2 ZINC000903408554 621364081 /nfs/dbraw/zinc/36/40/81/621364081.db2.gz SKJDXEHPCYZNLZ-HOTGVXAUSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000903437926 621375354 /nfs/dbraw/zinc/37/53/54/621375354.db2.gz RJNBBMKLDDDQSX-UVBJJODRSA-N 1 0 290.363 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@]12CC[NH2+]C2 ZINC000903865911 621453562 /nfs/dbraw/zinc/45/35/62/621453562.db2.gz FHZRLOSEBCCRJN-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)CC(C)(C)C ZINC000904086628 621519941 /nfs/dbraw/zinc/51/99/41/621519941.db2.gz UBXLNTPSJPCNKZ-UHFFFAOYSA-N 1 0 294.311 2.716 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCSCc1cccc2ccccc21 ZINC000905070011 621697223 /nfs/dbraw/zinc/69/72/23/621697223.db2.gz WSOIRDWHKXKLAQ-UHFFFAOYSA-N 1 0 290.388 2.939 20 5 CFBDRO CCC(CC)(CNCC[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000905114162 621702031 /nfs/dbraw/zinc/70/20/31/621702031.db2.gz KOQWMSSSERINJP-AWEZNQCLSA-N 1 0 293.411 2.762 20 5 CFBDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[N+](=O)[O-] ZINC000905186364 621713342 /nfs/dbraw/zinc/71/33/42/621713342.db2.gz AGAXLXHTINFJMU-QMMMGPOBSA-N 1 0 277.151 2.791 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000905229868 621720209 /nfs/dbraw/zinc/72/02/09/621720209.db2.gz CJBQXQWBVRKCLK-UHFFFAOYSA-N 1 0 284.306 2.643 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000905200988 621722328 /nfs/dbraw/zinc/72/23/28/621722328.db2.gz AYQWKAZIMWLJRW-UHFFFAOYSA-N 1 0 266.316 2.718 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000905245679 621726409 /nfs/dbraw/zinc/72/64/09/621726409.db2.gz XMKICYIMBVDQBL-LSDHHAIUSA-N 1 0 256.305 2.562 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000905391909 621765067 /nfs/dbraw/zinc/76/50/67/621765067.db2.gz WRJRNPPDJVRJFV-IWQZZHSRSA-N 1 0 299.168 2.719 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000905608484 621796196 /nfs/dbraw/zinc/79/61/96/621796196.db2.gz MUWZBUYZWWNAMH-OSMZGAPFSA-N 1 0 296.392 2.502 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@@H+](C)C1CCC1 ZINC000908269883 622210416 /nfs/dbraw/zinc/21/04/16/622210416.db2.gz YVXHURACEJPVHF-UHFFFAOYSA-N 1 0 291.351 2.634 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]([NH3+])CC(C)C ZINC000911907327 622581652 /nfs/dbraw/zinc/58/16/52/622581652.db2.gz XQTPGSNNMHHDCB-LLVKDONJSA-N 1 0 279.340 2.605 20 5 CFBDRO Cc1noc(C)c1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000071969713 625581539 /nfs/dbraw/zinc/58/15/39/625581539.db2.gz LOIQQFLVGOWTHD-UHFFFAOYSA-N 1 0 289.335 2.874 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)c2c1 ZINC000151150427 622839559 /nfs/dbraw/zinc/83/95/59/622839559.db2.gz ZBHPTIOTWZFFGS-BETUJISGSA-N 1 0 286.335 2.634 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000222948580 622976210 /nfs/dbraw/zinc/97/62/10/622976210.db2.gz DBEXKIKWWYEZBA-TZMCWYRMSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c(C[NH2+]CC(C)(C)CCCO)cccc1[N+](=O)[O-] ZINC000227960993 623124188 /nfs/dbraw/zinc/12/41/88/623124188.db2.gz FLTDFGNAWLOEEI-UHFFFAOYSA-N 1 0 280.368 2.792 20 5 CFBDRO CCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000171603648 623232801 /nfs/dbraw/zinc/23/28/01/623232801.db2.gz RILSAGPLZUBECW-UHFFFAOYSA-N 1 0 274.324 2.776 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000230416944 623275528 /nfs/dbraw/zinc/27/55/28/623275528.db2.gz UVEGAGRVLCDDFO-TYNCELHUSA-N 1 0 278.352 2.654 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230544590 623281917 /nfs/dbraw/zinc/28/19/17/623281917.db2.gz WUZUAEDEEHEZFX-OAHLLOKOSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000230671169 623289639 /nfs/dbraw/zinc/28/96/39/623289639.db2.gz OGKWQOKSYZAZQN-OSAQELSMSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CC2)cc1Cl ZINC000825040631 623609403 /nfs/dbraw/zinc/60/94/03/623609403.db2.gz QJRVZZLOAJLQMI-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC000914433258 623849261 /nfs/dbraw/zinc/84/92/61/623849261.db2.gz MPQUZGOEJQHBCU-GXTWGEPZSA-N 1 0 296.754 2.763 20 5 CFBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)C1O ZINC000827152059 623954888 /nfs/dbraw/zinc/95/48/88/623954888.db2.gz PWTKXZVILSINQC-NXEZZACHSA-N 1 0 298.770 2.697 20 5 CFBDRO CC[N@H+](CC(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000193396855 623993791 /nfs/dbraw/zinc/99/37/91/623993791.db2.gz DTYUUKBWAQGSQL-UHFFFAOYSA-N 1 0 276.340 2.880 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CSCc1ccc([N+](=O)[O-])cc1 ZINC000917350639 624334343 /nfs/dbraw/zinc/33/43/43/624334343.db2.gz JIMACPPFAXRICS-CYBMUJFWSA-N 1 0 266.366 2.922 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CSc1ccc([N+](=O)[O-])cc1F ZINC000917476077 624345456 /nfs/dbraw/zinc/34/54/56/624345456.db2.gz FHEXWEQFDQIWSP-SNVBAGLBSA-N 1 0 270.329 2.920 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000829012438 624355780 /nfs/dbraw/zinc/35/57/80/624355780.db2.gz QMIZAUYFLFDCLG-VBNZEHGJSA-N 1 0 290.363 2.893 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000829243475 624406936 /nfs/dbraw/zinc/40/69/36/624406936.db2.gz DSQOTAFNTCNQCW-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1cnc(OCCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000830350909 624717920 /nfs/dbraw/zinc/71/79/20/624717920.db2.gz IZQLBWNVYLRZOT-UHFFFAOYSA-N 1 0 267.329 2.586 20 5 CFBDRO CC[NH+](CC)CCOC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000830369908 624724261 /nfs/dbraw/zinc/72/42/61/624724261.db2.gz QXHSKINFBIOSGK-UHFFFAOYSA-N 1 0 298.314 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC000921564749 625988743 /nfs/dbraw/zinc/98/87/43/625988743.db2.gz XINOGZPGKFMCTN-QLFBSQMISA-N 1 0 290.363 2.890 20 5 CFBDRO COc1cncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922541225 626306954 /nfs/dbraw/zinc/30/69/54/626306954.db2.gz OUPKXRVZCAVJGE-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO CCC[C@@H](O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000922818384 626372533 /nfs/dbraw/zinc/37/25/33/626372533.db2.gz QUMFQSLCSJZRGD-CYBMUJFWSA-N 1 0 280.368 2.852 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536274 626479013 /nfs/dbraw/zinc/47/90/13/626479013.db2.gz AZLMCNRKVNXADQ-XJKSGUPXSA-N 1 0 289.379 2.874 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534427 626479071 /nfs/dbraw/zinc/47/90/71/626479071.db2.gz OMQYQWMYHJSOBK-BBRMVZONSA-N 1 0 289.379 2.874 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000839141733 626528442 /nfs/dbraw/zinc/52/84/42/626528442.db2.gz XRPNQLZRTBWNSN-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000757505275 626553879 /nfs/dbraw/zinc/55/38/79/626553879.db2.gz BNLKOFJIRULMRL-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000759837872 626695286 /nfs/dbraw/zinc/69/52/86/626695286.db2.gz VFJNTCTYVWONCY-JSGCOSHPSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000760913083 626784356 /nfs/dbraw/zinc/78/43/56/626784356.db2.gz UASKOVOICOEXJG-CQSZACIVSA-N 1 0 298.314 2.555 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293141 626821650 /nfs/dbraw/zinc/82/16/50/626821650.db2.gz RMBUOQKQFSBICA-WDEREUQCSA-N 1 0 288.351 2.941 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000851791294 634531829 /nfs/dbraw/zinc/53/18/29/634531829.db2.gz WUKGAORIGOEZQE-UHFFFAOYSA-N 1 0 265.313 2.657 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccnn1C ZINC000762790438 626937463 /nfs/dbraw/zinc/93/74/63/626937463.db2.gz ZTTHPCKNVGWOIF-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CCCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764877113 627103953 /nfs/dbraw/zinc/10/39/53/627103953.db2.gz SYTCXXICPYQPIA-UHFFFAOYSA-N 1 0 276.340 2.942 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062310 627117052 /nfs/dbraw/zinc/11/70/52/627117052.db2.gz RDWQQCYBUFZVHH-PWSUYJOCSA-N 1 0 288.351 2.941 20 5 CFBDRO C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000767006872 627231273 /nfs/dbraw/zinc/23/12/73/627231273.db2.gz LIUSBAZAQXNGTO-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOC(F)F)C2CC2)cc1 ZINC000851883609 634571757 /nfs/dbraw/zinc/57/17/57/634571757.db2.gz VXASOBAGGXVZNU-UHFFFAOYSA-N 1 0 286.278 2.798 20 5 CFBDRO COC(CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000851908073 634583297 /nfs/dbraw/zinc/58/32/97/634583297.db2.gz ZDMAOPNEXKGVDB-LLVKDONJSA-N 1 0 282.340 2.563 20 5 CFBDRO CC1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000773045202 627774133 /nfs/dbraw/zinc/77/41/33/627774133.db2.gz YIMNJWXHPZCBBG-UHFFFAOYSA-N 1 0 289.379 2.952 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774158259 627895272 /nfs/dbraw/zinc/89/52/72/627895272.db2.gz MWEZTNVUWFVLON-ZBFHGGJFSA-N 1 0 292.379 2.969 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000776579485 628160442 /nfs/dbraw/zinc/16/04/42/628160442.db2.gz LSAANNVIVOJOHC-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO CC1(C)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583011 628161204 /nfs/dbraw/zinc/16/12/04/628161204.db2.gz YLBDSEOLUGMPIB-ZDUSSCGKSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776585654 628161587 /nfs/dbraw/zinc/16/15/87/628161587.db2.gz ZAJPZOKTABWHRN-CQSZACIVSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590120 628162222 /nfs/dbraw/zinc/16/22/22/628162222.db2.gz YJIDZABNYRCGRK-KYOSRNDESA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776591586 628162709 /nfs/dbraw/zinc/16/27/09/628162709.db2.gz KRCBKFSUVDPVKI-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593498 628162984 /nfs/dbraw/zinc/16/29/84/628162984.db2.gz XBPUZTSDLYIHAQ-DZGCQCFKSA-N 1 0 278.352 2.606 20 5 CFBDRO CC[C@H](CSC)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605502 628163911 /nfs/dbraw/zinc/16/39/11/628163911.db2.gz LNPRCCLPOLXUSB-TZMCWYRMSA-N 1 0 298.408 2.702 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC000783656825 628731551 /nfs/dbraw/zinc/73/15/51/628731551.db2.gz ORNNKRFRQVQOAI-ZDUSSCGKSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679766 628734177 /nfs/dbraw/zinc/73/41/77/628734177.db2.gz RCKRELRKARCBKF-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000852166731 634678915 /nfs/dbraw/zinc/67/89/15/634678915.db2.gz XDLGHZAIZSMQRR-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO CCCCN(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591557 629084134 /nfs/dbraw/zinc/08/41/34/629084134.db2.gz IFHVXCNXTVQVJG-GFCCVEGCSA-N 1 0 294.399 2.560 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788607709 629086627 /nfs/dbraw/zinc/08/66/27/629086627.db2.gz CCPFIWAHNXWMNV-GMXVVIOVSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622537 629087645 /nfs/dbraw/zinc/08/76/45/629087645.db2.gz CAXHVWDDANZBMM-GXSJLCMTSA-N 1 0 281.381 2.723 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000789450741 629157393 /nfs/dbraw/zinc/15/73/93/629157393.db2.gz PMEYRXDBMDBIAQ-OQMKEHIESA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCF)CC2)cc1 ZINC000792863523 629459490 /nfs/dbraw/zinc/45/94/90/629459490.db2.gz XPVJODOHBYBCSB-UHFFFAOYSA-N 1 0 295.358 2.857 20 5 CFBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793249143 629513222 /nfs/dbraw/zinc/51/32/22/629513222.db2.gz DPFYZCHCPMKMOG-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424976 634742552 /nfs/dbraw/zinc/74/25/52/634742552.db2.gz HTJFIXHWLQHMGN-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423206 634742789 /nfs/dbraw/zinc/74/27/89/634742789.db2.gz WWHNFBLQWJRXLP-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793524592 629562041 /nfs/dbraw/zinc/56/20/41/629562041.db2.gz ICGPLUICPLUROG-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1ccc(COC(=O)[C@@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000835479233 629768242 /nfs/dbraw/zinc/76/82/42/629768242.db2.gz HHWRGGZFGBYPQT-CQSZACIVSA-N 1 0 294.351 2.533 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000796532321 629931101 /nfs/dbraw/zinc/93/11/01/629931101.db2.gz DEHFBPBLGKWCQG-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(F)(F)CC2)cc1 ZINC000796540269 629932041 /nfs/dbraw/zinc/93/20/41/629932041.db2.gz QWHUCDKOBFAQRU-UHFFFAOYSA-N 1 0 286.278 2.705 20 5 CFBDRO CC(C)[C@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000798819643 630242554 /nfs/dbraw/zinc/24/25/54/630242554.db2.gz DHLJCVOGOZMAMC-SMDDNHRTSA-N 1 0 294.351 2.785 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C1CC1)[NH+](C)C ZINC000804431855 630680711 /nfs/dbraw/zinc/68/07/11/630680711.db2.gz LKGATHWOUJVVDI-OAHLLOKOSA-N 1 0 291.351 2.550 20 5 CFBDRO CC[N@@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000804572435 630757181 /nfs/dbraw/zinc/75/71/81/630757181.db2.gz BSGVIZXHPXBKKG-SNVBAGLBSA-N 1 0 283.759 2.779 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778554 631046692 /nfs/dbraw/zinc/04/66/92/631046692.db2.gz ZRXUDHNMZHZDTD-ZBFHGGJFSA-N 1 0 290.363 2.750 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)nc1 ZINC000809688850 631263531 /nfs/dbraw/zinc/26/35/31/631263531.db2.gz QAULJEMKGSYHIA-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO Cc1ccccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734371 631273933 /nfs/dbraw/zinc/27/39/33/631273933.db2.gz BXPCNOFTQIBRHB-UHFFFAOYSA-N 1 0 285.347 2.869 20 5 CFBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841693207 631452455 /nfs/dbraw/zinc/45/24/55/631452455.db2.gz TYMOIQLRLCGJEV-NWDGAFQWSA-N 1 0 280.372 2.895 20 5 CFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842167187 631559090 /nfs/dbraw/zinc/55/90/90/631559090.db2.gz SDUHQEMMJANQNJ-ZAZJYDDPSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811495323 631571208 /nfs/dbraw/zinc/57/12/08/631571208.db2.gz AIMVGEHWHCOFLN-ZETCQYMHSA-N 1 0 293.150 2.762 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811848440 631632175 /nfs/dbraw/zinc/63/21/75/631632175.db2.gz FBVMDTKDQHYFPQ-NSHDSACASA-N 1 0 293.367 2.938 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000811858657 631632991 /nfs/dbraw/zinc/63/29/91/631632991.db2.gz FBVMDTKDQHYFPQ-LLVKDONJSA-N 1 0 293.367 2.938 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000811859107 631633043 /nfs/dbraw/zinc/63/30/43/631633043.db2.gz NAFYHQOHHLZTSX-LLVKDONJSA-N 1 0 293.367 2.938 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000811859095 631633359 /nfs/dbraw/zinc/63/33/59/631633359.db2.gz MQVQOGBPUMCKIU-SNVBAGLBSA-N 1 0 299.346 2.883 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811859593 631633503 /nfs/dbraw/zinc/63/35/03/631633503.db2.gz UXWVHVQKZZBKDS-SNVBAGLBSA-N 1 0 296.327 2.644 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CO1 ZINC000843431723 631957718 /nfs/dbraw/zinc/95/77/18/631957718.db2.gz CECMLFJHYMHHBH-SCZZXKLOSA-N 1 0 270.716 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000814651364 632103599 /nfs/dbraw/zinc/10/35/99/632103599.db2.gz GWNXPVGMRWNAGB-UQZDFYISSA-N 1 0 290.363 2.797 20 5 CFBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000815177770 632223849 /nfs/dbraw/zinc/22/38/49/632223849.db2.gz VTUUDRGRZWAKHS-PHIMTYICSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587543 632293383 /nfs/dbraw/zinc/29/33/83/632293383.db2.gz NBNYNGKVNZSCFJ-ZETCQYMHSA-N 1 0 277.246 2.780 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1Cl ZINC000816666974 632508943 /nfs/dbraw/zinc/50/89/43/632508943.db2.gz YWSYUQRGXQTSEW-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846203765 632659617 /nfs/dbraw/zinc/65/96/17/632659617.db2.gz AYHGGBZJFHDHIK-WDEREUQCSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846698180 632777302 /nfs/dbraw/zinc/77/73/02/632777302.db2.gz BCGBECASJLOIOS-ONGXEEELSA-N 1 0 283.759 2.560 20 5 CFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846698177 632777361 /nfs/dbraw/zinc/77/73/61/632777361.db2.gz BCGBECASJLOIOS-GXSJLCMTSA-N 1 0 283.759 2.560 20 5 CFBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847027149 632892524 /nfs/dbraw/zinc/89/25/24/632892524.db2.gz NFJXETNHIXPNKO-AWEZNQCLSA-N 1 0 266.341 2.749 20 5 CFBDRO CC(C)[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819093012 632961451 /nfs/dbraw/zinc/96/14/51/632961451.db2.gz IKAZRVWECIEHLR-BXUZGUMPSA-N 1 0 266.341 2.510 20 5 CFBDRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819200096 633017155 /nfs/dbraw/zinc/01/71/55/633017155.db2.gz JMSTWQDHUKZZCN-OCCSQVGLSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819236592 633034167 /nfs/dbraw/zinc/03/41/67/633034167.db2.gz KUUKBDNELMORIG-IAQYHMDHSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000819249980 633039654 /nfs/dbraw/zinc/03/96/54/633039654.db2.gz QNDOGSZBCPOIPA-RYUDHWBXSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1cscc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819269954 633046372 /nfs/dbraw/zinc/04/63/72/633046372.db2.gz RFGUKRFMKFDNBL-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000819381070 633141821 /nfs/dbraw/zinc/14/18/21/633141821.db2.gz UXMAYDUHBHFPMN-CWRNSKLLSA-N 1 0 290.363 2.654 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1CO ZINC000857061697 635922077 /nfs/dbraw/zinc/92/20/77/635922077.db2.gz ULDCGQBJAZKDQO-CMPLNLGQSA-N 1 0 298.770 2.699 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000849325807 633617775 /nfs/dbraw/zinc/61/77/75/633617775.db2.gz UDXLPEBWSYGMII-AEGPPILISA-N 1 0 276.336 2.503 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000850461703 634003885 /nfs/dbraw/zinc/00/38/85/634003885.db2.gz JXFQGNXHSKCQPV-AAEUAGOBSA-N 1 0 292.335 2.947 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850508797 634024314 /nfs/dbraw/zinc/02/43/14/634024314.db2.gz OKPBIFRJERBIGJ-GHMZBOCLSA-N 1 0 262.309 2.973 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])s1 ZINC000853390100 634990482 /nfs/dbraw/zinc/99/04/82/634990482.db2.gz LMLYXQANSCHXBS-SECBINFHSA-N 1 0 269.370 2.861 20 5 CFBDRO C[N@H+]1C[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000853546525 635033745 /nfs/dbraw/zinc/03/37/45/635033745.db2.gz NZQIDHPHDLIVSM-PHIMTYICSA-N 1 0 297.305 2.530 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN(c1cc[nH+]c(CO)c1)C1CC1 ZINC000858455474 636249080 /nfs/dbraw/zinc/24/90/80/636249080.db2.gz YSVIZRQCQIBQHF-UHFFFAOYSA-N 1 0 299.330 2.651 20 5 CFBDRO C/C=C\C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858536468 636285991 /nfs/dbraw/zinc/28/59/91/636285991.db2.gz IGDNUXFCNSSWNW-IHWYPQMZSA-N 1 0 275.352 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[NH+](C3CC3)C3CC3)c2c1 ZINC000863304054 637621986 /nfs/dbraw/zinc/62/19/86/637621986.db2.gz LOSSEQLCIQRUOG-UHFFFAOYSA-N 1 0 272.308 2.529 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000863482384 637674554 /nfs/dbraw/zinc/67/45/54/637674554.db2.gz GZFWCPNAGHLPGT-ZDUSSCGKSA-N 1 0 295.770 2.622 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788141 638574002 /nfs/dbraw/zinc/57/40/02/638574002.db2.gz ZTPQYBZCUNZONV-CQSZACIVSA-N 1 0 291.395 2.866 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865876732 638637487 /nfs/dbraw/zinc/63/74/87/638637487.db2.gz RIBJHICAFUMRDN-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000865926093 638661046 /nfs/dbraw/zinc/66/10/46/638661046.db2.gz QJGYEFFMWXUXKB-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO C[NH+]1CCC2(CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000866054556 638715919 /nfs/dbraw/zinc/71/59/19/638715919.db2.gz FUDFRMNFJLQCGP-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000866239698 638777797 /nfs/dbraw/zinc/77/77/97/638777797.db2.gz WZXGOADUNCQDDE-NEPJUHHUSA-N 1 0 296.342 2.681 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242882 638778553 /nfs/dbraw/zinc/77/85/53/638778553.db2.gz UFXULQDIFIFFQM-GHMZBOCLSA-N 1 0 284.331 2.537 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265031 638783742 /nfs/dbraw/zinc/78/37/42/638783742.db2.gz HOJPQEVUJPEOOG-IAQYHMDHSA-N 1 0 298.358 2.806 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264686 638783782 /nfs/dbraw/zinc/78/37/82/638783782.db2.gz DECIFSQAFQVBIV-RWSFTLGLSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000866277533 638787485 /nfs/dbraw/zinc/78/74/85/638787485.db2.gz DWGOWLCPPPSIHO-NSHDSACASA-N 1 0 291.326 2.793 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC=CC1 ZINC000866286392 638789513 /nfs/dbraw/zinc/78/95/13/638789513.db2.gz YGVRDUZIBJNLLX-SNVBAGLBSA-N 1 0 264.300 2.973 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC=CC1 ZINC000866286391 638789573 /nfs/dbraw/zinc/78/95/73/638789573.db2.gz YGVRDUZIBJNLLX-JTQLQIEISA-N 1 0 264.300 2.973 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCF ZINC000866307080 638794202 /nfs/dbraw/zinc/79/42/02/638794202.db2.gz QESAEQHXLCIJDB-VIFPVBQESA-N 1 0 258.268 2.614 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC000866314707 638796103 /nfs/dbraw/zinc/79/61/03/638796103.db2.gz NZKJYRCVOFLGMM-FZMZJTMJSA-N 1 0 296.342 2.824 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC000866314710 638796137 /nfs/dbraw/zinc/79/61/37/638796137.db2.gz NZKJYRCVOFLGMM-SMDDNHRTSA-N 1 0 296.342 2.824 20 5 CFBDRO CC(C)OCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866337887 638798697 /nfs/dbraw/zinc/79/86/97/638798697.db2.gz MGDSGAURWXVOLO-LLVKDONJSA-N 1 0 284.331 2.680 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340343 638799231 /nfs/dbraw/zinc/79/92/31/638799231.db2.gz DBYRVHGFSKBCIG-FFIQWJHNSA-N 1 0 296.342 2.582 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1C ZINC000866348899 638801353 /nfs/dbraw/zinc/80/13/53/638801353.db2.gz UCHXGECZLQWERV-JTNHKYCSSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000866357284 638803620 /nfs/dbraw/zinc/80/36/20/638803620.db2.gz RUUPXQYUSYQQIK-LLVKDONJSA-N 1 0 294.326 2.601 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1=CCOCC1 ZINC000866365473 638805503 /nfs/dbraw/zinc/80/55/03/638805503.db2.gz HKNANTRZYFZXBL-NSHDSACASA-N 1 0 294.326 2.601 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866404297 638815764 /nfs/dbraw/zinc/81/57/64/638815764.db2.gz VBIOQEADIYWXIU-MNOVXSKESA-N 1 0 295.408 2.971 20 5 CFBDRO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc([N+](=O)[O-])cc1 ZINC000866447434 638823601 /nfs/dbraw/zinc/82/36/01/638823601.db2.gz JBXOSFKLATZEEI-AUUNLFOPSA-N 1 0 288.347 2.669 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866581883 638848446 /nfs/dbraw/zinc/84/84/46/638848446.db2.gz BPQQEIZBJFHSMR-NFAWXSAZSA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000866614030 638854701 /nfs/dbraw/zinc/85/47/01/638854701.db2.gz WVXCJQPYMSHTLM-GHMZBOCLSA-N 1 0 274.324 2.740 20 5 CFBDRO CC[N@H+](CC1CC1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121190671 638866893 /nfs/dbraw/zinc/86/68/93/638866893.db2.gz UVLMRACWBLPFAZ-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866725861 638871372 /nfs/dbraw/zinc/87/13/72/638871372.db2.gz SVBZMVZWJRRRKV-KBPBESRZSA-N 1 0 295.770 2.575 20 5 CFBDRO CC[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122885867 639499995 /nfs/dbraw/zinc/49/99/95/639499995.db2.gz NXRRRTJRWGAHIY-GWCFXTLKSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032824 641563671 /nfs/dbraw/zinc/56/36/71/641563671.db2.gz ALUCBCQGLCKOJN-NXEZZACHSA-N 1 0 268.288 2.564 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034206 641564476 /nfs/dbraw/zinc/56/44/76/641564476.db2.gz IOSVYQAMKMUZHZ-YGRLFVJLSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034200 641564948 /nfs/dbraw/zinc/56/49/48/641564948.db2.gz IOSVYQAMKMUZHZ-HZMBPMFUSA-N 1 0 282.315 2.811 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034950 641566051 /nfs/dbraw/zinc/56/60/51/641566051.db2.gz SJASKWUBWMUZEN-TVQRCGJNSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@H](CCCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041099 641575917 /nfs/dbraw/zinc/57/59/17/641575917.db2.gz GDSIZZWPADJMFP-NXEZZACHSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046439 641581662 /nfs/dbraw/zinc/58/16/62/641581662.db2.gz HKTSFDRGNNSNNU-GHMZBOCLSA-N 1 0 292.314 2.670 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872052797 641587527 /nfs/dbraw/zinc/58/75/27/641587527.db2.gz UIEOHIHFUZFOCQ-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064575 641596808 /nfs/dbraw/zinc/59/68/08/641596808.db2.gz IDGVODVPUTWFAQ-AXFHLTTASA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066817 641598597 /nfs/dbraw/zinc/59/85/97/641598597.db2.gz QZMKGJKYLXJXIU-JFGNBEQYSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@H]([NH2+]CCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070779 641601889 /nfs/dbraw/zinc/60/18/89/641601889.db2.gz WIQWAVBHLPHEFV-JTQLQIEISA-N 1 0 282.315 2.690 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000872079635 641612446 /nfs/dbraw/zinc/61/24/46/641612446.db2.gz JUIQBNPVHSSHDY-PKFCDNJMSA-N 1 0 296.392 2.881 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872091286 641624412 /nfs/dbraw/zinc/62/44/12/641624412.db2.gz WFZNDNMPOISHQD-GARJFASQSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091482 641624702 /nfs/dbraw/zinc/62/47/02/641624702.db2.gz IIPXNRGFKJVMFH-KLBPJQLPSA-N 1 0 282.315 2.950 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872105418 641636522 /nfs/dbraw/zinc/63/65/22/641636522.db2.gz IURXPZYRJBSLLZ-ZYHUDNBSSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129530 641657714 /nfs/dbraw/zinc/65/77/14/641657714.db2.gz JYKQSUUPYDPFJV-JHJVBQTASA-N 1 0 277.368 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccnc1 ZINC000873006309 641982645 /nfs/dbraw/zinc/98/26/45/641982645.db2.gz DSMWWLLAHUZUDN-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)CC(C)C ZINC000873029450 641988957 /nfs/dbraw/zinc/98/89/57/641988957.db2.gz HPLBFOSNVQNGRB-ZDUSSCGKSA-N 1 0 280.368 2.708 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000873050420 641995964 /nfs/dbraw/zinc/99/59/64/641995964.db2.gz WASFSKGWSJHJDY-NSHDSACASA-N 1 0 292.257 2.570 20 5 CFBDRO CC[C@@H](COC)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873057182 641997608 /nfs/dbraw/zinc/99/76/08/641997608.db2.gz PBUJOYKUCVVJBV-LBPRGKRZSA-N 1 0 266.341 2.726 20 5 CFBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873065346 642000682 /nfs/dbraw/zinc/00/06/82/642000682.db2.gz CHCVNPXHMSFZNA-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000873109763 642014111 /nfs/dbraw/zinc/01/41/11/642014111.db2.gz CMCQZKLVJIJMOQ-ZFWWWQNUSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000873106080 642014245 /nfs/dbraw/zinc/01/42/45/642014245.db2.gz DNNBVVKSXIYTNX-HOCLYGCPSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000873126183 642019935 /nfs/dbraw/zinc/01/99/35/642019935.db2.gz OYTFSFASPSAVLV-WCQYABFASA-N 1 0 278.352 2.665 20 5 CFBDRO CO[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000873128083 642021126 /nfs/dbraw/zinc/02/11/26/642021126.db2.gz BOFOSVJXTSTSJD-OAHLLOKOSA-N 1 0 278.352 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CC(C)(C)O ZINC000873131360 642023203 /nfs/dbraw/zinc/02/32/03/642023203.db2.gz NYWFPFOKHUNZQK-NSHDSACASA-N 1 0 280.368 2.851 20 5 CFBDRO Cc1c(CNC[C@@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141468 642028710 /nfs/dbraw/zinc/02/87/10/642028710.db2.gz FSSAGAMLIBCNCM-AWEZNQCLSA-N 1 0 291.395 2.725 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000873150097 642031618 /nfs/dbraw/zinc/03/16/18/642031618.db2.gz XCQJRRLVPMVETB-BBRMVZONSA-N 1 0 290.363 2.869 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873152399 642033651 /nfs/dbraw/zinc/03/36/51/642033651.db2.gz OILHJVNRGVPZTO-DGCLKSJQSA-N 1 0 280.368 2.851 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1Cl ZINC000873231099 642083466 /nfs/dbraw/zinc/08/34/66/642083466.db2.gz HDSKIVOTWGRNLL-UONOGXRCSA-N 1 0 295.770 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H](C)O)CC1 ZINC000876680909 642970492 /nfs/dbraw/zinc/97/04/92/642970492.db2.gz VIEGXKVROUEFOL-ZDUSSCGKSA-N 1 0 292.379 2.804 20 5 CFBDRO CCCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876887327 643051943 /nfs/dbraw/zinc/05/19/43/643051943.db2.gz SFCLATQAXMRSCL-UHFFFAOYSA-N 1 0 266.345 2.665 20 5 CFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876889811 643053317 /nfs/dbraw/zinc/05/33/17/643053317.db2.gz RAMVKORKJKDWDX-LMWSTFAQSA-N 1 0 286.335 2.846 20 5 CFBDRO CCC(CC)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876915636 643063517 /nfs/dbraw/zinc/06/35/17/643063517.db2.gz WPCZSJAVQSMGSN-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877062625 643129540 /nfs/dbraw/zinc/12/95/40/643129540.db2.gz AVSUQTOUZNKNDH-SNVBAGLBSA-N 1 0 289.162 2.921 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000245766750 650833484 /nfs/dbraw/zinc/83/34/84/650833484.db2.gz RJQRLHDIPGELKZ-VXGBXAGGSA-N 1 0 288.351 2.880 20 5 CFBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC1(C)C ZINC000877593654 643385938 /nfs/dbraw/zinc/38/59/38/643385938.db2.gz XQTXCFXEWBFCDC-OQSWDALSSA-N 1 0 292.383 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000877629114 643413604 /nfs/dbraw/zinc/41/36/04/643413604.db2.gz QMFZJQFFABTCST-ATCWAGBWSA-N 1 0 292.379 2.660 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@@H]3CC=CCC3)C2)c1 ZINC000877656193 643435855 /nfs/dbraw/zinc/43/58/55/643435855.db2.gz ZYHFECKETOEUMB-IYXRBSQSSA-N 1 0 290.367 2.831 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877737722 643498171 /nfs/dbraw/zinc/49/81/71/643498171.db2.gz HWOJISQIJJHMFJ-STQMWFEESA-N 1 0 278.377 2.780 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000877796277 643562564 /nfs/dbraw/zinc/56/25/64/643562564.db2.gz BSGVDBUVVZFICI-LBPRGKRZSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCF)CC2)cc1 ZINC000127023029 643823286 /nfs/dbraw/zinc/82/32/86/643823286.db2.gz LGHVOFNOVHEBGS-UHFFFAOYSA-N 1 0 281.331 2.513 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000878319888 643838335 /nfs/dbraw/zinc/83/83/35/643838335.db2.gz CQSVDLKDHXOUEY-NSHDSACASA-N 1 0 270.279 2.990 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000878644367 643971156 /nfs/dbraw/zinc/97/11/56/643971156.db2.gz XRMUAIFROMLBBN-CQSZACIVSA-N 1 0 280.368 2.827 20 5 CFBDRO Cc1ccc(C[N@H+](C2CC2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000878700467 643996570 /nfs/dbraw/zinc/99/65/70/643996570.db2.gz RFKPCAMWZMLNAD-UHFFFAOYSA-N 1 0 290.363 2.783 20 5 CFBDRO C[C@@](CO)([NH2+]CCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000879272002 644202619 /nfs/dbraw/zinc/20/26/19/644202619.db2.gz KBMXYQZDSGNERC-HNNXBMFYSA-N 1 0 278.352 2.582 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237992 644600891 /nfs/dbraw/zinc/60/08/91/644600891.db2.gz MJAABWOQLWXMJO-NSHDSACASA-N 1 0 282.315 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c(F)c1 ZINC000880508715 644743028 /nfs/dbraw/zinc/74/30/28/644743028.db2.gz OWDXLWBPAPOUKQ-CABCVRRESA-N 1 0 294.326 2.925 20 5 CFBDRO CC[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000881775363 645126024 /nfs/dbraw/zinc/12/60/24/645126024.db2.gz SDMJSJRWGKPLMG-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000129621868 645295500 /nfs/dbraw/zinc/29/55/00/645295500.db2.gz VONWIQLWMMTUGT-CYBMUJFWSA-N 1 0 280.372 2.876 20 5 CFBDRO Cc1ccc(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000882963654 645531563 /nfs/dbraw/zinc/53/15/63/645531563.db2.gz FQDKVHHCMIXLFS-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[N@@H+]1CC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000882961162 645531739 /nfs/dbraw/zinc/53/17/39/645531739.db2.gz HGZXQDWKJBKKRW-ZDUSSCGKSA-N 1 0 286.335 2.649 20 5 CFBDRO CC(C)c1c[nH]c(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000883019683 645566574 /nfs/dbraw/zinc/56/65/74/645566574.db2.gz YNYPSGCOQARYFX-UHFFFAOYSA-N 1 0 288.351 2.774 20 5 CFBDRO CCC[C@@H]([NH2+]CC[S@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130891385 645589957 /nfs/dbraw/zinc/58/99/57/645589957.db2.gz CQJSVOSIPRJYTE-VLIAUNLRSA-N 1 0 298.408 2.794 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883090164 645601096 /nfs/dbraw/zinc/60/10/96/645601096.db2.gz DFDHUTOFRRJTKK-DSYXLKISSA-N 1 0 278.352 2.628 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccns1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883247304 645695168 /nfs/dbraw/zinc/69/51/68/645695168.db2.gz GBIRQKPLUCLNJV-SECBINFHSA-N 1 0 292.364 2.527 20 5 CFBDRO C=C/C=C/CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883261137 645705749 /nfs/dbraw/zinc/70/57/49/645705749.db2.gz RIDIHAIIWLZUID-AATRIKPKSA-N 1 0 292.335 2.834 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000883317607 645736744 /nfs/dbraw/zinc/73/67/44/645736744.db2.gz OMSYCHBRPGZNFI-WFEYYVJBSA-N 1 0 276.336 2.623 20 5 CFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000135211788 646493036 /nfs/dbraw/zinc/49/30/36/646493036.db2.gz KXXSJQHRWWBTTP-VHSXEESVSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+]1C2CCCC1CCC2 ZINC000886020553 646823651 /nfs/dbraw/zinc/82/36/51/646823651.db2.gz CLAZFNAUOXPSCD-UHFFFAOYSA-N 1 0 261.325 2.897 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886107729 646875028 /nfs/dbraw/zinc/87/50/28/646875028.db2.gz YOMKTMPISLCGJI-GHMZBOCLSA-N 1 0 263.341 2.904 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140891 646891606 /nfs/dbraw/zinc/89/16/06/646891606.db2.gz RYZJPGNBVWWZLA-NQBHXWOUSA-N 1 0 263.341 2.904 20 5 CFBDRO CC(C)([NH2+]C[C@H]1C[C@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886215428 646924782 /nfs/dbraw/zinc/92/47/82/646924782.db2.gz KDHAIJJMYHMNNU-WBMJQRKESA-N 1 0 290.363 2.846 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000218795158 646927887 /nfs/dbraw/zinc/92/78/87/646927887.db2.gz PPJFLUJOCPHDQZ-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229552 646930029 /nfs/dbraw/zinc/93/00/29/646930029.db2.gz RNZREMKCNLIIKU-STQMWFEESA-N 1 0 293.367 2.672 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cs1 ZINC000886288873 646955783 /nfs/dbraw/zinc/95/57/83/646955783.db2.gz JGXDFTPKYABIIG-NSHDSACASA-N 1 0 282.365 2.705 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000886290705 646956387 /nfs/dbraw/zinc/95/63/87/646956387.db2.gz LWJFKUWZESUIIR-CQSZACIVSA-N 1 0 290.363 2.952 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560145 647047335 /nfs/dbraw/zinc/04/73/35/647047335.db2.gz PGORMTIFUUITCG-AOOOYVTPSA-N 1 0 282.340 2.529 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000886821378 647152574 /nfs/dbraw/zinc/15/25/74/647152574.db2.gz BOOZUHNQCLJSGU-WFASDCNBSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832497 647156428 /nfs/dbraw/zinc/15/64/28/647156428.db2.gz JGFSCRSZZFYTCZ-HOCLYGCPSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886836086 647157218 /nfs/dbraw/zinc/15/72/18/647157218.db2.gz VLQRBARUWNWFSB-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000300421016 647331009 /nfs/dbraw/zinc/33/10/09/647331009.db2.gz CNBUNUJDSKDXCE-GRYCIOLGSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO[C@H]1C ZINC000925465875 648175880 /nfs/dbraw/zinc/17/58/80/648175880.db2.gz JIIBRWGELBFEAP-XEZPLFJOSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000925784779 648322393 /nfs/dbraw/zinc/32/23/93/648322393.db2.gz NTAGCYJEWJZKKH-VCTAVGKDSA-N 1 0 289.379 2.515 20 5 CFBDRO CC[C@H]1COC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926894311 648649032 /nfs/dbraw/zinc/64/90/32/648649032.db2.gz XRPWNZMTOPWIJX-UHIISALHSA-N 1 0 264.325 2.670 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000927019240 648685242 /nfs/dbraw/zinc/68/52/42/648685242.db2.gz DKWYTQNNRASPBU-BXUZGUMPSA-N 1 0 298.358 2.806 20 5 CFBDRO CCC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000927152294 648728849 /nfs/dbraw/zinc/72/88/49/648728849.db2.gz LLCSLZBSKYHIMS-UXIGCNINSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])CC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000929502081 649061981 /nfs/dbraw/zinc/06/19/81/649061981.db2.gz DKUQBYFAWKCYQW-UHFFFAOYSA-N 1 0 290.363 2.643 20 5 CFBDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929723593 649106932 /nfs/dbraw/zinc/10/69/32/649106932.db2.gz LPSOVKUQKVIZFU-GJZGRUSLSA-N 1 0 262.353 2.840 20 5 CFBDRO O=[N+]([O-])CC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000929890313 649145361 /nfs/dbraw/zinc/14/53/61/649145361.db2.gz UYCDDHNXYWFPSM-OAHLLOKOSA-N 1 0 260.337 2.805 20 5 CFBDRO CC1CC(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000929988294 649159909 /nfs/dbraw/zinc/15/99/09/649159909.db2.gz MUZVRFJIIPJJDB-WXRRBKDZSA-N 1 0 290.367 2.522 20 5 CFBDRO CCCCOc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930208513 649207010 /nfs/dbraw/zinc/20/70/10/649207010.db2.gz RCKRJIWYHABODV-GFCCVEGCSA-N 1 0 296.367 2.801 20 5 CFBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000930224812 649210125 /nfs/dbraw/zinc/21/01/25/649210125.db2.gz RMVAGDSXICDLJZ-GFCCVEGCSA-N 1 0 256.733 2.903 20 5 CFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000930228719 649210661 /nfs/dbraw/zinc/21/06/61/649210661.db2.gz DLOCJEGUAHRQOJ-LBPRGKRZSA-N 1 0 271.320 2.676 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930239238 649212183 /nfs/dbraw/zinc/21/21/83/649212183.db2.gz UZFAMUPEZHZBRN-JIMOISOXSA-N 1 0 268.744 2.903 20 5 CFBDRO Cc1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000930352648 649236185 /nfs/dbraw/zinc/23/61/85/649236185.db2.gz BKHNGESWQRUCCC-UHFFFAOYSA-N 1 0 288.351 2.609 20 5 CFBDRO CC(=O)NCCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000930593111 649282372 /nfs/dbraw/zinc/28/23/72/649282372.db2.gz CSKNLQYJMHTPKD-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOC3CC3)C2)cc1 ZINC000930635825 649293601 /nfs/dbraw/zinc/29/36/01/649293601.db2.gz AHYCMVUXXCDOJT-AWEZNQCLSA-N 1 0 290.363 2.953 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931042434 649369784 /nfs/dbraw/zinc/36/97/84/649369784.db2.gz LSWUTHFWPAVKOT-HEHGZKQESA-N 1 0 291.395 2.989 20 5 CFBDRO Cc1c(CN2CCC(C)([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000931350258 649413361 /nfs/dbraw/zinc/41/33/61/649413361.db2.gz GSRROGQBNPSUPF-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](NCc1cc(Cl)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000932177904 649559557 /nfs/dbraw/zinc/55/95/57/649559557.db2.gz GGHXLBLZIOCKML-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000932177184 649559781 /nfs/dbraw/zinc/55/97/81/649559781.db2.gz LIERNMOQIJIGIA-KCJUWKMLSA-N 1 0 292.257 2.559 20 5 CFBDRO CCO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932975554 649665870 /nfs/dbraw/zinc/66/58/70/649665870.db2.gz VHSMWHWPZJKUJL-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000934007412 649741366 /nfs/dbraw/zinc/74/13/66/649741366.db2.gz AJUOJPDYBVEDCM-CQSZACIVSA-N 1 0 296.342 2.765 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000934198872 649759113 /nfs/dbraw/zinc/75/91/13/649759113.db2.gz QQHDQLONPDDVBW-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000934336820 649776432 /nfs/dbraw/zinc/77/64/32/649776432.db2.gz GYXNDCAAPNFJKD-CQDKDKBSSA-N 1 0 276.336 2.503 20 5 CFBDRO CC[NH+](CC)C1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001165051903 722000393 /nfs/dbraw/zinc/00/03/93/722000393.db2.gz JFPVLMFOHPHDIS-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO Cc1ccc2c(ccnc2-n2cccc2C[NH3+])c1[N+](=O)[O-] ZINC001167581647 770933241 /nfs/dbraw/zinc/93/32/41/770933241.db2.gz HJBIWYWJUKMFOF-UHFFFAOYSA-N 1 0 282.303 2.701 20 5 CFBDRO CCOC(=O)[C@H](O[C@H](C)C[N+](C)(C)C)c1ccccc1F ZINC001224152901 775112913 /nfs/dbraw/zinc/11/29/13/775112913.db2.gz FAXBSZYJRYZGDE-IUODEOHRSA-N 1 0 298.378 2.541 20 5 CFBDRO CCOC(=O)[C@@H](O[C@H](C)C[N+](C)(C)C)c1ccccc1F ZINC001224152900 775113325 /nfs/dbraw/zinc/11/33/25/775113325.db2.gz FAXBSZYJRYZGDE-DOMZBBRYSA-N 1 0 298.378 2.541 20 5 CFBDRO Cc1cnc(CO[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001224185740 775122706 /nfs/dbraw/zinc/12/27/06/775122706.db2.gz NIIFTVDHSBKNHN-CYBMUJFWSA-N 1 0 293.367 2.606 20 5 CFBDRO COC(=O)c1ccc([C@@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224619139 775228012 /nfs/dbraw/zinc/22/80/12/775228012.db2.gz MDCAMQYZJGEIMP-CYBMUJFWSA-N 1 0 280.388 2.647 20 5 CFBDRO CCOC(=O)C[C@@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224618379 775228494 /nfs/dbraw/zinc/22/84/94/775228494.db2.gz FNOASWNEFPPCQD-MRXNPFEDSA-N 1 0 294.415 2.794 20 5 CFBDRO C[C@@H](COCCC[N+](C)(C)C)Oc1ccccc1 ZINC001224621351 775229246 /nfs/dbraw/zinc/22/92/46/775229246.db2.gz RXDGEICPMLFMER-AWEZNQCLSA-N 1 0 252.378 2.567 20 5 CFBDRO CCOP(=O)(CCCO[C@@H](C)C[N+](C)(C)C)OCC ZINC001224762234 775268123 /nfs/dbraw/zinc/26/81/23/775268123.db2.gz HKGLUCUXNZUZRD-ZDUSSCGKSA-N 1 0 296.368 2.754 20 5 CFBDRO COc1ccc([C@H](C)OCC[N+](C)(C)C)c(F)c1 ZINC001224772809 775270399 /nfs/dbraw/zinc/27/03/99/775270399.db2.gz BHTRCSURCCIOON-NSHDSACASA-N 1 0 256.341 2.618 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1Cc2cccc(Br)c2C1 ZINC001224776510 775271099 /nfs/dbraw/zinc/27/10/99/775271099.db2.gz WQKYLLOAHPYXMT-LBPRGKRZSA-N 1 0 299.232 2.639 20 5 CFBDRO CCOc1ccc([C@H](C)OCC[N+](C)(C)C)cc1 ZINC001224776205 775271599 /nfs/dbraw/zinc/27/15/99/775271599.db2.gz SRNRJHVUOWLGFG-ZDUSSCGKSA-N 1 0 252.378 2.869 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)cc1Cl ZINC001217980133 775416958 /nfs/dbraw/zinc/41/69/58/775416958.db2.gz KHUUXTUAQLUOPX-PWSUYJOCSA-N 1 0 288.706 2.717 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217982241 775418055 /nfs/dbraw/zinc/41/80/55/775418055.db2.gz UHMYCYYBRHFIBU-ZYHUDNBSSA-N 1 0 286.278 2.511 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225381083 775435324 /nfs/dbraw/zinc/43/53/24/775435324.db2.gz CNKGFQMQILYHFS-NSHDSACASA-N 1 0 268.288 2.595 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001218024036 775451221 /nfs/dbraw/zinc/45/12/21/775451221.db2.gz LXUDQMZYHQTVRD-RISCZKNCSA-N 1 0 264.325 2.670 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225430796 775454011 /nfs/dbraw/zinc/45/40/11/775454011.db2.gz GRPFHLJHDFFNEN-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC[C@H]1C ZINC001218030732 775454820 /nfs/dbraw/zinc/45/48/20/775454820.db2.gz UROTVRNXSKQUEH-RNCFNFMXSA-N 1 0 282.315 2.809 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C2 ZINC001225575775 775507887 /nfs/dbraw/zinc/50/78/87/775507887.db2.gz WNWBNNZUIFJSIJ-GDNZZTSVSA-N 1 0 280.299 2.738 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OC1CCC([NH+](C)C)CC1 ZINC001225615174 775524060 /nfs/dbraw/zinc/52/40/60/775524060.db2.gz HHKRTSGTGJDZSC-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OC1CC[NH+](C2CC2)CC1 ZINC001225616194 775525536 /nfs/dbraw/zinc/52/55/36/775525536.db2.gz MZRWITCQMDVLQV-UHFFFAOYSA-N 1 0 292.335 2.609 20 5 CFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@H]1CCC[NH2+]C1 ZINC001218279397 775532747 /nfs/dbraw/zinc/53/27/47/775532747.db2.gz POILMGZNSCMMDN-VIFPVBQESA-N 1 0 290.241 2.744 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)c(F)cc1[N+](=O)[O-])C2 ZINC001225776695 775589385 /nfs/dbraw/zinc/58/93/85/775589385.db2.gz LASSHGLTJGRYCY-MYJAWHEDSA-N 1 0 298.289 2.877 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225913505 775632258 /nfs/dbraw/zinc/63/22/58/775632258.db2.gz UWLGJCABGDUHCS-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(=O)c1cc(F)cc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001225955597 775646355 /nfs/dbraw/zinc/64/63/55/775646355.db2.gz FSXLLLKPGQBVIM-SECBINFHSA-N 1 0 272.315 2.641 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962224 775649120 /nfs/dbraw/zinc/64/91/20/775649120.db2.gz CSMMMSMXYTYWAQ-VIFPVBQESA-N 1 0 286.278 2.735 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962222 775649315 /nfs/dbraw/zinc/64/93/15/775649315.db2.gz CSMMMSMXYTYWAQ-SECBINFHSA-N 1 0 286.278 2.735 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c(F)cccc1[N+](=O)[O-] ZINC001226008889 775666230 /nfs/dbraw/zinc/66/62/30/775666230.db2.gz JAUNEJGIYHNTPC-YABSGUDNSA-N 1 0 294.326 2.843 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226197549 775735760 /nfs/dbraw/zinc/73/57/60/775735760.db2.gz CTCYILWIAQSZRN-QMMMGPOBSA-N 1 0 291.730 2.861 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226266824 775763929 /nfs/dbraw/zinc/76/39/29/775763929.db2.gz ZCBXPRWRLLXFAD-LLVKDONJSA-N 1 0 268.288 2.595 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001226445741 775825312 /nfs/dbraw/zinc/82/53/12/775825312.db2.gz INMWUODSZLRHBY-UHFFFAOYSA-N 1 0 292.335 2.609 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743826 775944214 /nfs/dbraw/zinc/94/42/14/775944214.db2.gz IILQKFGOXUDPSA-SNVBAGLBSA-N 1 0 286.278 2.735 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908082 776012224 /nfs/dbraw/zinc/01/22/24/776012224.db2.gz CBSYOWWMLCOEMT-MRVPVSSYSA-N 1 0 288.706 2.860 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226963620 776036905 /nfs/dbraw/zinc/03/69/05/776036905.db2.gz FCBPDSGEJCXWTH-VIFPVBQESA-N 1 0 290.241 2.697 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226963619 776036992 /nfs/dbraw/zinc/03/69/92/776036992.db2.gz FCBPDSGEJCXWTH-SECBINFHSA-N 1 0 290.241 2.697 20 5 CFBDRO CCc1cc2c(ncnc2O[C@@H](C)C[N+](C)(C)C)s1 ZINC001227100188 776094675 /nfs/dbraw/zinc/09/46/75/776094675.db2.gz FCAPADINYKZATL-JTQLQIEISA-N 1 0 280.417 2.727 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1Cl ZINC001227180956 776125718 /nfs/dbraw/zinc/12/57/18/776125718.db2.gz GIKXXPFSOIBKRV-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO CC(C)(C)N1CC(Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233750 776148385 /nfs/dbraw/zinc/14/83/85/776148385.db2.gz GNLYVWVRKXTNGN-UHFFFAOYSA-N 1 0 291.307 2.598 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227237677 776151509 /nfs/dbraw/zinc/15/15/09/776151509.db2.gz KCBHNJRLIDOGNR-SNVBAGLBSA-N 1 0 291.307 2.598 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC001227480434 776212589 /nfs/dbraw/zinc/21/25/89/776212589.db2.gz NJVFRWNHYIEEKQ-LLVKDONJSA-N 1 0 252.314 2.704 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222760328 776294855 /nfs/dbraw/zinc/29/48/55/776294855.db2.gz ONAWSPFXTLCOCW-CQSZACIVSA-N 1 0 278.352 2.984 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](OCc2cccc([N+](=O)[O-])c2)C1 ZINC001222767596 776296542 /nfs/dbraw/zinc/29/65/42/776296542.db2.gz BHSBFXSWUKKFAR-CQSZACIVSA-N 1 0 264.325 2.594 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc2cccnc21 ZINC001227979936 776346156 /nfs/dbraw/zinc/34/61/56/776346156.db2.gz IZWRVMQKWMWIBJ-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO CCCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001228005569 776360062 /nfs/dbraw/zinc/36/00/62/776360062.db2.gz PKIVNCPICCCOBE-ZDUSSCGKSA-N 1 0 280.388 2.727 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228054817 776378606 /nfs/dbraw/zinc/37/86/06/776378606.db2.gz PIISVPWYXSBUMW-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228056891 776380240 /nfs/dbraw/zinc/38/02/40/776380240.db2.gz IRGFWIFRDMNILM-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO Cc1cc(C)c(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001228229139 776427986 /nfs/dbraw/zinc/42/79/86/776427986.db2.gz DPKGPUYBUMGNRL-LLVKDONJSA-N 1 0 252.314 2.541 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nnc(Cl)c2ccccc21 ZINC001228277177 776442980 /nfs/dbraw/zinc/44/29/80/776442980.db2.gz GAKGNJAOIXYULK-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO CCOC(=O)CCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001228412332 776484589 /nfs/dbraw/zinc/48/45/89/776484589.db2.gz OWCABZBWGQZZFO-CQSZACIVSA-N 1 0 294.415 2.656 20 5 CFBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CCCN(C)C1 ZINC001228452361 776495513 /nfs/dbraw/zinc/49/55/13/776495513.db2.gz IKEXBDKGAXZNLG-LBPRGKRZSA-N 1 0 292.335 2.579 20 5 CFBDRO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000136795295 776518045 /nfs/dbraw/zinc/51/80/45/776518045.db2.gz JQHHXHWNIQQRJN-LBPRGKRZSA-N 1 0 279.340 2.605 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228613012 776539707 /nfs/dbraw/zinc/53/97/07/776539707.db2.gz NJHFNKWFFIUQQQ-SNVBAGLBSA-N 1 0 286.278 2.735 20 5 CFBDRO Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228833868 776625738 /nfs/dbraw/zinc/62/57/38/776625738.db2.gz SUQGNHUBNKRLGR-ZDUSSCGKSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCc1ncc(C(C)(C)C)o1 ZINC001223415919 776659036 /nfs/dbraw/zinc/65/90/36/776659036.db2.gz KEROEMXGMKDNKC-NSHDSACASA-N 1 0 255.382 2.583 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228934832 776662163 /nfs/dbraw/zinc/66/21/63/776662163.db2.gz VTONAWMGGHQYHJ-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1Cl ZINC001229092680 776715582 /nfs/dbraw/zinc/71/55/82/776715582.db2.gz XMYNXGHCRVGFJN-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO Cc1csc2[nH]c(=S)nc(O[C@@H](C)C[N+](C)(C)C)c12 ZINC001229352208 776787694 /nfs/dbraw/zinc/78/76/94/776787694.db2.gz GWXRHMWLYDSSFD-VIFPVBQESA-O 1 0 298.457 2.762 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001229487071 776826432 /nfs/dbraw/zinc/82/64/32/776826432.db2.gz JUPAOAIJTIBYKX-JTQLQIEISA-N 1 0 293.323 2.845 20 5 CFBDRO CC[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001229487666 776827159 /nfs/dbraw/zinc/82/71/59/776827159.db2.gz QJINQPVBPGKMMM-UHFFFAOYSA-N 1 0 291.307 2.599 20 5 CFBDRO C[C@H](c1cccc(O[C@H](C[N+](=O)[O-])C2CC2)c1)[NH+](C)C ZINC001229627316 776859004 /nfs/dbraw/zinc/85/90/04/776859004.db2.gz OYNVQAOGEVIFDS-IAQYHMDHSA-N 1 0 278.352 2.743 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H](C)C[N+](C)(C)C ZINC001229881399 776909183 /nfs/dbraw/zinc/90/91/83/776909183.db2.gz VKSUOFQOHCDNPE-SNVBAGLBSA-N 1 0 267.349 2.685 20 5 CFBDRO CC(=O)c1cccc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001230317730 776976359 /nfs/dbraw/zinc/97/63/59/776976359.db2.gz SPAFIQQAAVEQNP-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO CCc1c(O[C@H](C)C[N+](C)(C)C)cccc1C(=O)OC ZINC001230367852 776985955 /nfs/dbraw/zinc/98/59/55/776985955.db2.gz MQKNCZKWVXFHMJ-GFCCVEGCSA-N 1 0 280.388 2.509 20 5 CFBDRO CCOC(=O)/C=C/c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001230403235 776990603 /nfs/dbraw/zinc/99/06/03/776990603.db2.gz ZTKRLONAGAFMOG-TZIYXEQSSA-N 1 0 292.399 2.736 20 5 CFBDRO CC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)ccc1F ZINC001230958345 777100818 /nfs/dbraw/zinc/10/08/18/777100818.db2.gz XHAPDJHNKSLKPE-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001231058898 777128626 /nfs/dbraw/zinc/12/86/26/777128626.db2.gz DSAGICPAYHBAQS-ZDUSSCGKSA-N 1 0 276.336 2.685 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncc(F)cc2c1 ZINC001231168333 777163218 /nfs/dbraw/zinc/16/32/18/777163218.db2.gz DFOVAPKHWJUBLJ-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(N(C)C)ccc1N=O ZINC001231287404 777184564 /nfs/dbraw/zinc/18/45/64/777184564.db2.gz RJXBJXHPNKZSAD-LLVKDONJSA-N 1 0 266.365 2.624 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCSC1=O ZINC001167955902 777254609 /nfs/dbraw/zinc/25/46/09/777254609.db2.gz SJMQKUJVNQXFNB-AWEZNQCLSA-N 1 0 279.429 2.727 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225904464 777330275 /nfs/dbraw/zinc/33/02/75/777330275.db2.gz DMHVVTYZLQWHQM-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225955306 777346338 /nfs/dbraw/zinc/34/63/38/777346338.db2.gz CNYNABDELYMVBN-VIFPVBQESA-N 1 0 290.241 2.697 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226130791 777445258 /nfs/dbraw/zinc/44/52/58/777445258.db2.gz VAKFAGCISAQONO-SNVBAGLBSA-N 1 0 285.731 2.505 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226254733 777489021 /nfs/dbraw/zinc/48/90/21/777489021.db2.gz CYBJPCFFTHDRAN-SNVBAGLBSA-N 1 0 285.731 2.505 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nsc2ccccc21 ZINC001226433007 777540196 /nfs/dbraw/zinc/54/01/96/777540196.db2.gz NXCNYBIJLWMGMU-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226916051 777697978 /nfs/dbraw/zinc/69/79/78/777697978.db2.gz WZPSNWLIXIYJDL-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(C(F)(F)F)c1 ZINC001227071730 777755789 /nfs/dbraw/zinc/75/57/89/777755789.db2.gz TVGUIMLSFBUBKE-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000713926728 777878185 /nfs/dbraw/zinc/87/81/85/777878185.db2.gz OYEIIHNVXNPSAI-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO Cc1cc(O)c(Cl)cc1O[C@@H](C)C[N+](C)(C)C ZINC001233591361 778002313 /nfs/dbraw/zinc/00/23/13/778002313.db2.gz FWQRZSCNRVSFIV-JTQLQIEISA-O 1 0 258.769 2.828 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233716004 778051478 /nfs/dbraw/zinc/05/14/78/778051478.db2.gz LEIOHJAWCNCRTR-NSHDSACASA-N 1 0 299.758 2.895 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC001233764781 778069656 /nfs/dbraw/zinc/06/96/56/778069656.db2.gz NVFUZOWYXXXSOY-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233765326 778070104 /nfs/dbraw/zinc/07/01/04/778070104.db2.gz UAWUIKUBLAUIIF-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1OC(F)F ZINC001234019522 778143293 /nfs/dbraw/zinc/14/32/93/778143293.db2.gz OKTIRHJLRYPGSZ-JTQLQIEISA-N 1 0 260.304 2.762 20 5 CFBDRO Cc1cc(F)c(O[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234059185 778155015 /nfs/dbraw/zinc/15/50/15/778155015.db2.gz JCYGEFUNHKJXFQ-LLVKDONJSA-N 1 0 282.315 2.904 20 5 CFBDRO CC(C)C(=O)N(C)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001234837172 778305558 /nfs/dbraw/zinc/30/55/58/778305558.db2.gz OEGNBVLFCXUJFA-AWEZNQCLSA-N 1 0 293.431 2.779 20 5 CFBDRO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001234872247 778317892 /nfs/dbraw/zinc/31/78/92/778317892.db2.gz SPWBZXKYYUKVQK-HNNXBMFYSA-N 1 0 290.363 2.993 20 5 CFBDRO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001234872249 778318044 /nfs/dbraw/zinc/31/80/44/778318044.db2.gz SPWBZXKYYUKVQK-OAHLLOKOSA-N 1 0 290.363 2.993 20 5 CFBDRO CC(C)[NH+]1CC(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001168315473 778426564 /nfs/dbraw/zinc/42/65/64/778426564.db2.gz QJFKEEKOQZEBLK-UHFFFAOYSA-N 1 0 274.324 2.581 20 5 CFBDRO COc1ccc(OC)c([C@H](C)OCCC[N+](C)(C)C)c1 ZINC001224622241 778603201 /nfs/dbraw/zinc/60/32/01/778603201.db2.gz GHHJAULOAOBPNR-ZDUSSCGKSA-N 1 0 282.404 2.878 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CSC1 ZINC000698018249 778629904 /nfs/dbraw/zinc/62/99/04/778629904.db2.gz YHEVEGXAEZFFCM-UHFFFAOYSA-N 1 0 272.757 2.701 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698634687 778964768 /nfs/dbraw/zinc/96/47/68/778964768.db2.gz GVCDGFFZCVDFAZ-TVQRCGJNSA-N 1 0 288.294 2.570 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000699208051 779219809 /nfs/dbraw/zinc/21/98/09/779219809.db2.gz OSICDZPQFHSTLT-GHMZBOCLSA-N 1 0 250.273 2.576 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699466011 779274154 /nfs/dbraw/zinc/27/41/54/779274154.db2.gz OZAYZOWHIIMIND-NTZNESFSSA-N 1 0 264.325 2.589 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037155131 779416881 /nfs/dbraw/zinc/41/68/81/779416881.db2.gz DSKJEVABBVAEMY-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCCC[NH2+]C1 ZINC000700386299 780683909 /nfs/dbraw/zinc/68/39/09/780683909.db2.gz ZLAOBRPBMISYNV-GFCCVEGCSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)OC(C)(C)C)cn1 ZINC001229888758 781034343 /nfs/dbraw/zinc/03/43/43/781034343.db2.gz VZEJGTSZNXVIGT-LBPRGKRZSA-N 1 0 295.403 2.510 20 5 CFBDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000703581080 781035437 /nfs/dbraw/zinc/03/54/37/781035437.db2.gz XZTXKSGXPACDTB-BZUNDVKYSA-N 1 0 278.352 2.939 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1 ZINC000704814639 781120834 /nfs/dbraw/zinc/12/08/34/781120834.db2.gz OCTVFYXCCHKRFH-GFCCVEGCSA-N 1 0 266.366 2.828 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCSC2)cc1 ZINC000704843730 781124034 /nfs/dbraw/zinc/12/40/34/781124034.db2.gz IPWRYRMYHLSRQA-ZDUSSCGKSA-N 1 0 280.393 2.870 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]3C[C@H]32)ccc1Cl ZINC000707001338 781220355 /nfs/dbraw/zinc/22/03/55/781220355.db2.gz NQHHYGOUHYZLLU-GXSJLCMTSA-N 1 0 252.701 2.842 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(SC)C1 ZINC000708318928 781269792 /nfs/dbraw/zinc/26/97/92/781269792.db2.gz ZNYLFYHECLNHIR-UHFFFAOYSA-N 1 0 282.365 2.587 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccns2)cc1[N+](=O)[O-] ZINC000709827766 781319285 /nfs/dbraw/zinc/31/92/85/781319285.db2.gz XDXGRTYGOVGSIE-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOC2CCC2)c1 ZINC000709842558 781320386 /nfs/dbraw/zinc/32/03/86/781320386.db2.gz LNZUQMDXFQGCIX-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164067201 781660350 /nfs/dbraw/zinc/66/03/50/781660350.db2.gz CCZALNGTPIMSAI-WCBMZHEXSA-N 1 0 298.774 2.515 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594519868 349440114 /nfs/dbraw/zinc/44/01/14/349440114.db2.gz MEVZPXZSMGOBCZ-HZPDHXFCSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594601970 349458454 /nfs/dbraw/zinc/45/84/54/349458454.db2.gz QDGDVNLDOMRGPO-QWHCGFSZSA-N 1 0 294.330 2.558 20 5 CFBDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594716937 349479686 /nfs/dbraw/zinc/47/96/86/349479686.db2.gz FBUQUUJQERKDTK-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000594952330 349526222 /nfs/dbraw/zinc/52/62/22/349526222.db2.gz BVKXDQUOGLENCA-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000594969708 349535309 /nfs/dbraw/zinc/53/53/09/349535309.db2.gz ZQHDIFMSZCFGAE-OAHLLOKOSA-N 1 0 291.395 2.866 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000290158882 197614383 /nfs/dbraw/zinc/61/43/83/197614383.db2.gz LUPPNWXJWNAYGM-GXTWGEPZSA-N 1 0 280.368 2.931 20 5 CFBDRO CC(C)(C)OCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594974021 349536684 /nfs/dbraw/zinc/53/66/84/349536684.db2.gz JDBJUAZOHTWJGN-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(F)F ZINC000594976390 349537024 /nfs/dbraw/zinc/53/70/24/349537024.db2.gz CLUPRMAABUXJQL-LLVKDONJSA-N 1 0 274.242 2.869 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000594984875 349538840 /nfs/dbraw/zinc/53/88/40/349538840.db2.gz QGOCFBXAJKTZNE-RYKCVBHDSA-N 1 0 258.321 2.996 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000594985906 349538640 /nfs/dbraw/zinc/53/86/40/349538640.db2.gz PKPFLYDXJBSDSF-WFASDCNBSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1CCC(O)CC1 ZINC000594992853 349541266 /nfs/dbraw/zinc/54/12/66/349541266.db2.gz ZHBNPCUXHDFHQU-HWKANZROSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000594985980 349539093 /nfs/dbraw/zinc/53/90/93/349539093.db2.gz RECMXCAUPVJFOB-BXUZGUMPSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083127053 178339514 /nfs/dbraw/zinc/33/95/14/178339514.db2.gz QHDFQLXNRFFMSW-JTQLQIEISA-N 1 0 275.308 2.968 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c(Cl)c1 ZINC000594988256 349540316 /nfs/dbraw/zinc/54/03/16/349540316.db2.gz OIOAZQBYXSNWCD-QWHCGFSZSA-N 1 0 296.754 2.641 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(Cl)c1 ZINC000594988257 349540425 /nfs/dbraw/zinc/54/04/25/349540425.db2.gz OIOAZQBYXSNWCD-STQMWFEESA-N 1 0 296.754 2.641 20 5 CFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000083168832 178348210 /nfs/dbraw/zinc/34/82/10/178348210.db2.gz KSUFUDWCPBBRDI-UHFFFAOYSA-N 1 0 261.281 2.578 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000595020072 349552088 /nfs/dbraw/zinc/55/20/88/349552088.db2.gz SXBZKODHFPHZSW-NHYWBVRUSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000595018101 349552152 /nfs/dbraw/zinc/55/21/52/349552152.db2.gz QBBRIQVDQIAPOK-RYUDHWBXSA-N 1 0 294.351 2.681 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCSCC2)cc1 ZINC000595019400 349552386 /nfs/dbraw/zinc/55/23/86/349552386.db2.gz MUEKYPXOOLUEHI-GFCCVEGCSA-N 1 0 296.392 2.849 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000595024636 349553672 /nfs/dbraw/zinc/55/36/72/349553672.db2.gz AGJQHLZEIXFISP-ZJUUUORDSA-N 1 0 282.365 2.760 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1=CCOCC1 ZINC000595043322 349561971 /nfs/dbraw/zinc/56/19/71/349561971.db2.gz WGJYFFMBJZDBHZ-LLVKDONJSA-N 1 0 292.335 2.601 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000595048339 349563688 /nfs/dbraw/zinc/56/36/88/349563688.db2.gz KKSKOMBLOMKJAC-GHMZBOCLSA-N 1 0 294.351 2.822 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068511 349573306 /nfs/dbraw/zinc/57/33/06/349573306.db2.gz PQWJKYVSGNHVBL-IAQYHMDHSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CSCCS1 ZINC000125210368 187174728 /nfs/dbraw/zinc/17/47/28/187174728.db2.gz VJGZPXDTTSLAJU-NSHDSACASA-N 1 0 284.406 2.533 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595068050 349573420 /nfs/dbraw/zinc/57/34/20/349573420.db2.gz NUESYFBGVGXLQY-MPKXVKKWSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCC1 ZINC000595056183 349568408 /nfs/dbraw/zinc/56/84/08/349568408.db2.gz CDVPHOBDPUDLCD-SWLSCSKDSA-N 1 0 292.379 2.667 20 5 CFBDRO COC[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000595059950 349570385 /nfs/dbraw/zinc/57/03/85/349570385.db2.gz JFXFHRPWUACTLW-QWHCGFSZSA-N 1 0 296.367 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C/C=C/CO)CCCC2 ZINC000595065371 349572379 /nfs/dbraw/zinc/57/23/79/349572379.db2.gz ANWYMYXMFDOZCS-BWPKMQGJSA-N 1 0 276.336 2.500 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(C)(C)CO ZINC000595041677 349560732 /nfs/dbraw/zinc/56/07/32/349560732.db2.gz NYRXCZUHWNNJPI-LLVKDONJSA-N 1 0 296.367 2.663 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595091022 349578157 /nfs/dbraw/zinc/57/81/57/349578157.db2.gz QWGOVPFCIOGMHZ-TUKIKUTGSA-N 1 0 290.363 2.857 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2=CCCC2)n1 ZINC000595096374 349580054 /nfs/dbraw/zinc/58/00/54/349580054.db2.gz KQTDCPXPBNMUKU-UONOGXRCSA-N 1 0 290.367 2.975 20 5 CFBDRO CC1(C)OCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595110236 349584025 /nfs/dbraw/zinc/58/40/25/349584025.db2.gz ZHCAZVVAXKGNHA-FZMZJTMJSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000595070989 349574554 /nfs/dbraw/zinc/57/45/54/349574554.db2.gz WWTATBTUQDRNEN-NWDGAFQWSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595324438 349602465 /nfs/dbraw/zinc/60/24/65/349602465.db2.gz FOKFOBXVKXQIRH-WPRPVWTQSA-N 1 0 253.302 2.512 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331214 349603257 /nfs/dbraw/zinc/60/32/57/349603257.db2.gz SJMWUFVLAHIREW-CQSZACIVSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330162 349603455 /nfs/dbraw/zinc/60/34/55/349603455.db2.gz KAUFDZDKXSRYCL-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291967 349592017 /nfs/dbraw/zinc/59/20/17/349592017.db2.gz NPUQWHUZQWOMQY-SECBINFHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000595295444 349593774 /nfs/dbraw/zinc/59/37/74/349593774.db2.gz FWIHNKAAYVYODS-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595342330 349606073 /nfs/dbraw/zinc/60/60/73/349606073.db2.gz AWCVJUKWAAIZAR-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000595396511 349616272 /nfs/dbraw/zinc/61/62/72/349616272.db2.gz WNSNZJALFDWTSU-DGCLKSJQSA-N 1 0 294.326 2.592 20 5 CFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000595409582 349618055 /nfs/dbraw/zinc/61/80/55/349618055.db2.gz XPFCXRBXGVVLPY-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000068658663 346862704 /nfs/dbraw/zinc/86/27/04/346862704.db2.gz KDNOZVSLEQOXGM-SECBINFHSA-N 1 0 281.337 2.964 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428052 349623295 /nfs/dbraw/zinc/62/32/95/349623295.db2.gz ZIFBASAHSANOEJ-YGRLFVJLSA-N 1 0 279.340 2.903 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595439077 349626781 /nfs/dbraw/zinc/62/67/81/349626781.db2.gz DGGIUEPOMJKHLI-WCABBAIRSA-N 1 0 267.329 2.806 20 5 CFBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443187 349627682 /nfs/dbraw/zinc/62/76/82/349627682.db2.gz ZSJPNFHZTJPYKA-CYBMUJFWSA-N 1 0 284.331 2.573 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447342 349628738 /nfs/dbraw/zinc/62/87/38/349628738.db2.gz CINQYVONBZFKPQ-ABAIWWIYSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000595449947 349629566 /nfs/dbraw/zinc/62/95/66/349629566.db2.gz MSGVYGIAEPXRFT-GMTAPVOTSA-N 1 0 282.315 2.732 20 5 CFBDRO CC(C)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000595460322 349633471 /nfs/dbraw/zinc/63/34/71/349633471.db2.gz GMRVWZKRUIRRDF-HNNXBMFYSA-N 1 0 295.358 2.506 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595481737 349639226 /nfs/dbraw/zinc/63/92/26/349639226.db2.gz GAFGJIALMUCLAP-KCJUWKMLSA-N 1 0 270.329 2.575 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595480945 349639428 /nfs/dbraw/zinc/63/94/28/349639428.db2.gz BQDUOMYEHMEKNR-AWEZNQCLSA-N 1 0 282.315 2.783 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512501 349647613 /nfs/dbraw/zinc/64/76/13/349647613.db2.gz PAEVQMDKFZPAFL-CHWSQXEVSA-N 1 0 282.315 2.637 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595519861 349649023 /nfs/dbraw/zinc/64/90/23/349649023.db2.gz HXXMMPQRWKNOGP-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000595500440 349643382 /nfs/dbraw/zinc/64/33/82/349643382.db2.gz JLTUORDQUUGMAP-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO Cc1noc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595504670 349644874 /nfs/dbraw/zinc/64/48/74/349644874.db2.gz GHTFDKPETIOBDZ-GHMZBOCLSA-N 1 0 279.340 2.902 20 5 CFBDRO Cc1noc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595540924 349654643 /nfs/dbraw/zinc/65/46/43/349654643.db2.gz AEJKOUAJRSDQFA-QMMMGPOBSA-N 1 0 253.302 2.512 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595542084 349655600 /nfs/dbraw/zinc/65/56/00/349655600.db2.gz LSJXMDCKRDVLJR-LLVKDONJSA-N 1 0 265.313 2.513 20 5 CFBDRO CC[C@H](C)[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595597936 349669829 /nfs/dbraw/zinc/66/98/29/349669829.db2.gz CVUBRUWVMCPNIT-LBPRGKRZSA-N 1 0 293.367 2.678 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595695332 349705901 /nfs/dbraw/zinc/70/59/01/349705901.db2.gz GSLGOCNUEMVJAM-ZYHUDNBSSA-N 1 0 284.381 2.639 20 5 CFBDRO CC1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000595749310 349722447 /nfs/dbraw/zinc/72/24/47/349722447.db2.gz KKKKMZNDFDYMAC-UHFFFAOYSA-N 1 0 294.399 2.940 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704781 349711465 /nfs/dbraw/zinc/71/14/65/349711465.db2.gz VJTDFGRZERUMKZ-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359532 346909796 /nfs/dbraw/zinc/90/97/96/346909796.db2.gz IBXUSNKOPQEHIB-CYBMUJFWSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000595830889 349745916 /nfs/dbraw/zinc/74/59/16/349745916.db2.gz MWRRSLMUNUHSPJ-NEPJUHHUSA-N 1 0 296.754 2.717 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595873278 349759761 /nfs/dbraw/zinc/75/97/61/349759761.db2.gz LFHGYVFEFJCECV-HEHGZKQESA-N 1 0 292.379 2.915 20 5 CFBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000595904430 349765376 /nfs/dbraw/zinc/76/53/76/349765376.db2.gz YQJNZUYVTLAVEV-OAHLLOKOSA-N 1 0 297.358 2.875 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595833757 349747037 /nfs/dbraw/zinc/74/70/37/349747037.db2.gz LYGHJRCNNDZWNZ-LBPRGKRZSA-N 1 0 279.340 2.903 20 5 CFBDRO Cc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000595925349 349771300 /nfs/dbraw/zinc/77/13/00/349771300.db2.gz ZNPBCGJWOPCLAM-UHFFFAOYSA-N 1 0 289.335 2.516 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCOCCF)c2cc([N+](=O)[O-])ccc21 ZINC000596092273 349792856 /nfs/dbraw/zinc/79/28/56/349792856.db2.gz DITFXXGMLHUZMC-CQSZACIVSA-N 1 0 296.342 2.893 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CC2)CC1 ZINC000562373234 290038855 /nfs/dbraw/zinc/03/88/55/290038855.db2.gz WQMKSKITGYPOSF-UHFFFAOYSA-N 1 0 262.309 2.636 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000072712853 346938245 /nfs/dbraw/zinc/93/82/45/346938245.db2.gz UQBVWZMJHGYSLN-ZDUSSCGKSA-N 1 0 278.352 2.987 20 5 CFBDRO CN(CC[NH+](C)C)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596151720 349810190 /nfs/dbraw/zinc/81/01/90/349810190.db2.gz JJHRQRMVCBYQCY-UHFFFAOYSA-N 1 0 291.273 2.611 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CF)CC2)cc1F ZINC000295040050 199314484 /nfs/dbraw/zinc/31/44/84/199314484.db2.gz ANTXXYGKMNMGFZ-UHFFFAOYSA-N 1 0 270.279 2.915 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596210041 349827832 /nfs/dbraw/zinc/82/78/32/349827832.db2.gz WVUSQWXFQDDAQU-LLVKDONJSA-N 1 0 283.397 2.885 20 5 CFBDRO Cc1cnc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309311 349859124 /nfs/dbraw/zinc/85/91/24/349859124.db2.gz YJINQEJFCYRJLD-LBPRGKRZSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000295077437 199333339 /nfs/dbraw/zinc/33/33/39/199333339.db2.gz PYIYDJXVBCMCKV-NSHDSACASA-N 1 0 266.341 2.542 20 5 CFBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000413084322 529918418 /nfs/dbraw/zinc/91/84/18/529918418.db2.gz NCUWGBNUVCBMHU-UHFFFAOYSA-N 1 0 296.346 2.805 20 5 CFBDRO Cc1nc(NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000128124579 187353274 /nfs/dbraw/zinc/35/32/74/187353274.db2.gz BEKRGKZENXDQFO-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cccc(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596427909 349900538 /nfs/dbraw/zinc/90/05/38/349900538.db2.gz BZIFRAQHOIHFOC-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO C[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413031078 530050612 /nfs/dbraw/zinc/05/06/12/530050612.db2.gz IHRWBCQNOJJKEF-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295097503 199343767 /nfs/dbraw/zinc/34/37/67/199343767.db2.gz SHLQOYFGOTXOCS-SECBINFHSA-N 1 0 286.759 2.887 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122240204 232199120 /nfs/dbraw/zinc/19/91/20/232199120.db2.gz WECLLMGZYUGAEG-LLVKDONJSA-N 1 0 266.341 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000596570388 349944357 /nfs/dbraw/zinc/94/43/57/349944357.db2.gz JNNKNLRWYIVTGE-CYBMUJFWSA-N 1 0 290.367 2.524 20 5 CFBDRO C[C@@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000027136018 346268035 /nfs/dbraw/zinc/26/80/35/346268035.db2.gz HKOJCERIIOSQAR-SNVBAGLBSA-N 1 0 293.367 2.560 20 5 CFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000037061470 346326786 /nfs/dbraw/zinc/32/67/86/346326786.db2.gz HDJOOBADKGVPIP-LLVKDONJSA-N 1 0 263.341 2.737 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000037153311 346327882 /nfs/dbraw/zinc/32/78/82/346327882.db2.gz IMZSCSCXUKNNMO-CYBMUJFWSA-N 1 0 277.368 2.559 20 5 CFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000075667338 347091322 /nfs/dbraw/zinc/09/13/22/347091322.db2.gz KFKHQSMLQWJCIX-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO CCC[C@H](N[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596653399 349969517 /nfs/dbraw/zinc/96/95/17/349969517.db2.gz KIJAJYRUTSAHRQ-FZMZJTMJSA-N 1 0 265.357 2.634 20 5 CFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000063527596 346702925 /nfs/dbraw/zinc/70/29/25/346702925.db2.gz VUMSNUFUKAVZDJ-INIZCTEOSA-N 1 0 289.379 2.513 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C ZINC000061758404 346682566 /nfs/dbraw/zinc/68/25/66/346682566.db2.gz LZLKCJHQORSEEJ-LLVKDONJSA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000066808912 346780470 /nfs/dbraw/zinc/78/04/70/346780470.db2.gz DPHIVKDLKKEROJ-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000066808914 346780589 /nfs/dbraw/zinc/78/05/89/346780589.db2.gz DPHIVKDLKKEROJ-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000075891727 347105631 /nfs/dbraw/zinc/10/56/31/347105631.db2.gz XMSJJWKRJGYISX-VXGBXAGGSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000076112990 347122427 /nfs/dbraw/zinc/12/24/27/347122427.db2.gz IVCBFDQFGVMUFT-RYUDHWBXSA-N 1 0 264.325 2.561 20 5 CFBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000076798368 347154378 /nfs/dbraw/zinc/15/43/78/347154378.db2.gz XCBUYCWJFFDMHH-UHFFFAOYSA-N 1 0 292.383 2.914 20 5 CFBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000077456059 347193310 /nfs/dbraw/zinc/19/33/10/347193310.db2.gz QLVOWCQIQAFCNG-HNNXBMFYSA-N 1 0 280.368 2.872 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)CCO ZINC000295196754 232615077 /nfs/dbraw/zinc/61/50/77/232615077.db2.gz YAIHWKURGKFFQH-UONOGXRCSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000085974891 179207783 /nfs/dbraw/zinc/20/77/83/179207783.db2.gz BPGWBCYAJZMVMH-WHOFXGATSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000078662182 347268244 /nfs/dbraw/zinc/26/82/44/347268244.db2.gz JNQDHZMHCMSERW-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000080923790 347385902 /nfs/dbraw/zinc/38/59/02/347385902.db2.gz CETAKIIGGKUFBP-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO CC1CCC(O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000087045651 347490831 /nfs/dbraw/zinc/49/08/31/347490831.db2.gz LRRDRVZPYQQWGX-UHFFFAOYSA-N 1 0 284.381 2.687 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726474 347508397 /nfs/dbraw/zinc/50/83/97/347508397.db2.gz WVAJVUVPLFUNRV-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668220 347639007 /nfs/dbraw/zinc/63/90/07/347639007.db2.gz YBPHWFIIWISYEU-JSGCOSHPSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094473015 347695392 /nfs/dbraw/zinc/69/53/92/347695392.db2.gz RAGBSUILJWPFOC-JQWIXIFHSA-N 1 0 266.366 2.621 20 5 CFBDRO Cc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000103343213 347722677 /nfs/dbraw/zinc/72/26/77/347722677.db2.gz FGTOJVALVHJSGW-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122815683 347817140 /nfs/dbraw/zinc/81/71/40/347817140.db2.gz YMLFGDUWMAFTGB-MFKMUULPSA-N 1 0 297.786 2.807 20 5 CFBDRO CCc1ccc(OCCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000134494916 347898799 /nfs/dbraw/zinc/89/87/99/347898799.db2.gz WIBLVWKIGWYNAU-UHFFFAOYSA-N 1 0 278.352 2.926 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000086626245 179312966 /nfs/dbraw/zinc/31/29/66/179312966.db2.gz YBCUAAHAKHHUIY-BXUZGUMPSA-N 1 0 266.341 2.654 20 5 CFBDRO CCC[C@H]([NH2+]C[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000086626242 179313041 /nfs/dbraw/zinc/31/30/41/179313041.db2.gz YBCUAAHAKHHUIY-RISCZKNCSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157664725 348001726 /nfs/dbraw/zinc/00/17/26/348001726.db2.gz DOTNWBPIQPVDSF-QWRGUYRKSA-N 1 0 291.351 2.700 20 5 CFBDRO CC1(C)CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000160235211 348017156 /nfs/dbraw/zinc/01/71/56/348017156.db2.gz YYAXPOOXHRNBBT-CQSZACIVSA-N 1 0 278.352 2.685 20 5 CFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154265442 347978839 /nfs/dbraw/zinc/97/88/39/347978839.db2.gz VYJHLTXESNAVIU-UHIISALHSA-N 1 0 298.408 2.666 20 5 CFBDRO CSCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154741390 347982560 /nfs/dbraw/zinc/98/25/60/347982560.db2.gz KQMJJNNUORVSFY-CYBMUJFWSA-N 1 0 280.393 2.869 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000172966595 348105445 /nfs/dbraw/zinc/10/54/45/348105445.db2.gz VEZYAOXCUVMVHW-OKILXGFUSA-N 1 0 260.337 2.725 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000178237008 348119171 /nfs/dbraw/zinc/11/91/71/348119171.db2.gz PAPQMLHZYGOVRZ-NSHDSACASA-N 1 0 280.372 2.686 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCSCC1 ZINC000229259898 348199845 /nfs/dbraw/zinc/19/98/45/348199845.db2.gz UJSHFOFTTAYPLI-UHFFFAOYSA-N 1 0 296.392 2.836 20 5 CFBDRO Cc1c(C[NH2+]Cc2ccc(CO)cc2)cccc1[N+](=O)[O-] ZINC000231885946 348209487 /nfs/dbraw/zinc/20/94/87/348209487.db2.gz ZBRWZNIXKBOTKM-UHFFFAOYSA-N 1 0 286.331 2.685 20 5 CFBDRO CC[C@H]([NH2+]C[C@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012335 179379149 /nfs/dbraw/zinc/37/91/49/179379149.db2.gz KDHVFAAPQBWAKW-UONOGXRCSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000235527817 348228340 /nfs/dbraw/zinc/22/83/40/348228340.db2.gz RNUDAETZPCXNMX-OUCADQQQSA-N 1 0 278.352 2.979 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251818394 348294093 /nfs/dbraw/zinc/29/40/93/348294093.db2.gz PBJNBIVUXXVFPK-QMTHXVAHSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309724478 348407493 /nfs/dbraw/zinc/40/74/93/348407493.db2.gz NBTMTRFYYJHDGB-AWEZNQCLSA-N 1 0 298.346 2.676 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000273373917 192131233 /nfs/dbraw/zinc/13/12/33/192131233.db2.gz GGIRCQHTQZRGJC-JKSUJKDBSA-N 1 0 290.363 2.950 20 5 CFBDRO CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328205500 348440858 /nfs/dbraw/zinc/44/08/58/348440858.db2.gz TXIOXHOQLILOIY-JTQLQIEISA-N 1 0 267.304 2.630 20 5 CFBDRO CC[C@@](C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OC ZINC000323055099 348438460 /nfs/dbraw/zinc/43/84/60/348438460.db2.gz RSCHFLYVQBCSDN-AWEZNQCLSA-N 1 0 266.341 2.542 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCCO)C1CC1 ZINC000404393882 348591383 /nfs/dbraw/zinc/59/13/83/348591383.db2.gz ZZPOGWGFMNQZAT-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)sn1 ZINC000404441245 348592243 /nfs/dbraw/zinc/59/22/43/348592243.db2.gz HNKNTOOAZYXOPW-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO Cn1ncc2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc21 ZINC000584694037 348705456 /nfs/dbraw/zinc/70/54/56/348705456.db2.gz ICMNBTLEEKATTB-UHFFFAOYSA-N 1 0 296.330 2.771 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000589584265 348839268 /nfs/dbraw/zinc/83/92/68/348839268.db2.gz OAPIZDUTVZRNKS-BDAKNGLRSA-N 1 0 267.354 2.693 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589605905 348841848 /nfs/dbraw/zinc/84/18/48/348841848.db2.gz DOXULWHQJWTXHY-SECBINFHSA-N 1 0 257.359 2.797 20 5 CFBDRO O=[N+]([O-])c1ccccc1NCCNc1[nH+]ccc2[nH]ccc21 ZINC000590573396 348910697 /nfs/dbraw/zinc/91/06/97/348910697.db2.gz XOWRFLFZXFVMKW-UHFFFAOYSA-N 1 0 297.318 2.995 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000590647197 348920362 /nfs/dbraw/zinc/92/03/62/348920362.db2.gz MMTMLOROIVKVOD-UKRRQHHQSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282798 349006106 /nfs/dbraw/zinc/00/61/06/349006106.db2.gz RHKFVGJPCVBPTN-CQSZACIVSA-N 1 0 289.379 2.668 20 5 CFBDRO CC(C)(CO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348281 349010978 /nfs/dbraw/zinc/01/09/78/349010978.db2.gz KNTOHHCRFOVFGJ-HNNXBMFYSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591578075 349031619 /nfs/dbraw/zinc/03/16/19/349031619.db2.gz VSKVECXCIIYVRN-GXTWGEPZSA-N 1 0 277.368 2.696 20 5 CFBDRO C[C@H]([NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591581355 349032900 /nfs/dbraw/zinc/03/29/00/349032900.db2.gz ROOIBKMRYNCHEJ-BLLLJJGKSA-N 1 0 285.347 2.621 20 5 CFBDRO CCC[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581141 349032948 /nfs/dbraw/zinc/03/29/48/349032948.db2.gz LPNOLVQQRXMPDP-YDHLFZDLSA-N 1 0 295.358 2.726 20 5 CFBDRO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582966 349032956 /nfs/dbraw/zinc/03/29/56/349032956.db2.gz VUZOYELROQJBSY-TZMCWYRMSA-N 1 0 289.379 2.920 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCS[C@H]1C ZINC000592379966 349112772 /nfs/dbraw/zinc/11/27/72/349112772.db2.gz DMVMPHSISLOVBN-GWCFXTLKSA-N 1 0 266.366 2.887 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000592379969 349112964 /nfs/dbraw/zinc/11/29/64/349112964.db2.gz DMVMPHSISLOVBN-ZWNOBZJWSA-N 1 0 266.366 2.887 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCS[C@@H]1C ZINC000592380777 349113309 /nfs/dbraw/zinc/11/33/09/349113309.db2.gz QLDOPYNXTDGYHX-MFKMUULPSA-N 1 0 296.392 2.977 20 5 CFBDRO CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427647 349118601 /nfs/dbraw/zinc/11/86/01/349118601.db2.gz MLGZFDXMHXKGJF-DOMBMUJNSA-N 1 0 289.379 2.667 20 5 CFBDRO Cc1c(CN(C2CC2)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592471153 349126523 /nfs/dbraw/zinc/12/65/23/349126523.db2.gz CCMPMAMFSNWHBZ-UHFFFAOYSA-N 1 0 289.379 2.620 20 5 CFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000593068817 349201245 /nfs/dbraw/zinc/20/12/45/349201245.db2.gz PMEKOWBZVXAEAJ-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1ccsc1[N+](=O)[O-] ZINC000593516538 349288807 /nfs/dbraw/zinc/28/88/07/349288807.db2.gz PCSHDPLWDFGAKX-UHFFFAOYSA-N 1 0 269.370 2.578 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNCCC[N@@H+](C)CC(C)C ZINC000593646370 349303111 /nfs/dbraw/zinc/30/31/11/349303111.db2.gz OHLGGXXOUMMIOR-UHFFFAOYSA-N 1 0 293.411 2.971 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+](C)CC(C)C ZINC000593479633 349278605 /nfs/dbraw/zinc/27/86/05/349278605.db2.gz HIORGAZKROMLTN-UHFFFAOYSA-N 1 0 297.403 2.509 20 5 CFBDRO CCOC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000594049750 349364521 /nfs/dbraw/zinc/36/45/21/349364521.db2.gz DMRJEYIUMBKWQY-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCCO1 ZINC000594490610 349428660 /nfs/dbraw/zinc/42/86/60/349428660.db2.gz NPVAPKQMKFPQJX-BXUZGUMPSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000597070453 350024319 /nfs/dbraw/zinc/02/43/19/350024319.db2.gz INEQHUYBPRYFOJ-SNPRPXQTSA-N 1 0 260.337 2.916 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000597113367 350030972 /nfs/dbraw/zinc/03/09/72/350030972.db2.gz MXXWTOMKLMTNSO-UKRRQHHQSA-N 1 0 276.336 2.560 20 5 CFBDRO COCC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414478174 233263687 /nfs/dbraw/zinc/26/36/87/233263687.db2.gz FGQUTIWPKHOMRV-LLVKDONJSA-N 1 0 266.341 2.665 20 5 CFBDRO Cc1ccc(CN2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597179183 350045700 /nfs/dbraw/zinc/04/57/00/350045700.db2.gz HJEULIFOTBXQAV-MRXNPFEDSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597204145 350054762 /nfs/dbraw/zinc/05/47/62/350054762.db2.gz FPNQWLRYEKVGDI-MRXNPFEDSA-N 1 0 290.363 2.640 20 5 CFBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597224305 350062578 /nfs/dbraw/zinc/06/25/78/350062578.db2.gz FAXVLXBNZJQPRU-OLZOCXBDSA-N 1 0 278.352 2.903 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597223824 350063096 /nfs/dbraw/zinc/06/30/96/350063096.db2.gz UIQCRBMGJSNXEC-KBUVRSHFSA-N 1 0 258.321 2.950 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000414509092 233276626 /nfs/dbraw/zinc/27/66/26/233276626.db2.gz DYSJYBACMFJINY-CHWSQXEVSA-N 1 0 252.289 2.965 20 5 CFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000105442957 186057410 /nfs/dbraw/zinc/05/74/10/186057410.db2.gz XECJCQSGSFOJJB-SNVBAGLBSA-N 1 0 294.380 2.587 20 5 CFBDRO [NH3+]C[C@H](NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000414837262 233373049 /nfs/dbraw/zinc/37/30/49/233373049.db2.gz JJGPLABZXZCFEF-HNNXBMFYSA-N 1 0 277.368 2.592 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910456 233395795 /nfs/dbraw/zinc/39/57/95/233395795.db2.gz CWBCAQVWSZUWCQ-WDEREUQCSA-N 1 0 283.759 2.608 20 5 CFBDRO CCOc1cncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000598639001 350298966 /nfs/dbraw/zinc/29/89/66/350298966.db2.gz FWNCRTVVHFHSES-UHFFFAOYSA-N 1 0 287.319 2.678 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000598647278 350301459 /nfs/dbraw/zinc/30/14/59/350301459.db2.gz KJUGEVGRQUCMRJ-JTQLQIEISA-N 1 0 256.252 2.730 20 5 CFBDRO CC1(C)CC[C@@H](CO)N(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598649467 350302337 /nfs/dbraw/zinc/30/23/37/350302337.db2.gz XKBSCAXGZPWZBI-ZDUSSCGKSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000598985291 350353899 /nfs/dbraw/zinc/35/38/99/350353899.db2.gz MQHZMNQKQVKKPP-CYBMUJFWSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1cccc2c1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CO2 ZINC000598985984 350354061 /nfs/dbraw/zinc/35/40/61/350354061.db2.gz CICIQJXGOBKHBZ-AWEZNQCLSA-N 1 0 298.342 2.997 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@]1(C)OCC ZINC000598996615 350356830 /nfs/dbraw/zinc/35/68/30/350356830.db2.gz LUEKRKSJAXQOIT-CABCVRRESA-N 1 0 294.351 2.651 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599000045 350357280 /nfs/dbraw/zinc/35/72/80/350357280.db2.gz RGVHQCJLWUXNRU-LMCGPQHNSA-N 1 0 294.351 2.505 20 5 CFBDRO CCC[C@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599078717 350371470 /nfs/dbraw/zinc/37/14/70/350371470.db2.gz ADQOOYZQZQBGPI-AWEZNQCLSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H](O)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599079809 350371938 /nfs/dbraw/zinc/37/19/38/350371938.db2.gz PJQDMJDIULOFHA-JTQLQIEISA-N 1 0 275.308 2.716 20 5 CFBDRO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C[NH+](C)C ZINC000599082120 350372552 /nfs/dbraw/zinc/37/25/52/350372552.db2.gz QNQXSOFYYIEMKP-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)cccc1[N+](=O)[O-] ZINC000599082877 350372638 /nfs/dbraw/zinc/37/26/38/350372638.db2.gz CVZWPVJRYXTXKH-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599086282 350373458 /nfs/dbraw/zinc/37/34/58/350373458.db2.gz ZXUPZNVWNMJOEM-WPGHFRTFSA-N 1 0 288.347 2.739 20 5 CFBDRO CCO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599260051 350401730 /nfs/dbraw/zinc/40/17/30/350401730.db2.gz UMGQKMGVTUFHLK-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO COc1cc(C[NH+](C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000599599602 350463450 /nfs/dbraw/zinc/46/34/50/350463450.db2.gz MVTDIUIJNDRVID-UHFFFAOYSA-N 1 0 262.309 2.730 20 5 CFBDRO Cc1noc(C[N@@H+]2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000599672155 350477626 /nfs/dbraw/zinc/47/76/26/350477626.db2.gz BKDUWYAGTPRZRP-UHFFFAOYSA-N 1 0 265.313 2.657 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000599672237 350477882 /nfs/dbraw/zinc/47/78/82/350477882.db2.gz AVXQPVBVVPUYKO-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000107830604 186194519 /nfs/dbraw/zinc/19/45/19/186194519.db2.gz SJFHPLCHIYPGSX-GHMZBOCLSA-N 1 0 279.315 2.773 20 5 CFBDRO Cc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000600159017 350524163 /nfs/dbraw/zinc/52/41/63/350524163.db2.gz DYUDNDZDBGJOSL-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600710688 350599006 /nfs/dbraw/zinc/59/90/06/350599006.db2.gz RWCCOINODFSYND-GJZGRUSLSA-N 1 0 289.379 2.920 20 5 CFBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000600712910 350600203 /nfs/dbraw/zinc/60/02/03/350600203.db2.gz CTPLIIQLUNQQMO-VQISRLSMSA-N 1 0 289.379 2.657 20 5 CFBDRO Cc1cc(-c2cc([N+](=O)[O-])ccc2CO)cc2c1C[NH2+]CC2 ZINC000600779535 350609918 /nfs/dbraw/zinc/60/99/18/350609918.db2.gz BXSUMOVZHXGWQD-UHFFFAOYSA-N 1 0 298.342 2.708 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc([C@@H]3COCC[NH2+]3)c2)cc1 ZINC000600786745 350611292 /nfs/dbraw/zinc/61/12/92/350611292.db2.gz RXPRXUJYGLBWNL-INIZCTEOSA-N 1 0 284.315 2.923 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601174194 350689456 /nfs/dbraw/zinc/68/94/56/350689456.db2.gz RIHNSZRISMNPJX-CYBMUJFWSA-N 1 0 286.335 2.724 20 5 CFBDRO CCOc1cc(NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111048890 186347792 /nfs/dbraw/zinc/34/77/92/186347792.db2.gz SNMIUBMYIMZLSF-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO CCOc1cc(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111048673 186347801 /nfs/dbraw/zinc/34/78/01/186347801.db2.gz PRKBZYYEJUQLIL-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000601290773 350718428 /nfs/dbraw/zinc/71/84/28/350718428.db2.gz CIBPPVJEAUEXLM-RWSFTLGLSA-N 1 0 290.363 2.678 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000601290772 350718600 /nfs/dbraw/zinc/71/86/00/350718600.db2.gz CIBPPVJEAUEXLM-JRPNMDOOSA-N 1 0 290.363 2.678 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000601300255 350719352 /nfs/dbraw/zinc/71/93/52/350719352.db2.gz WURKTBYZTWUUBZ-FBKDDSFISA-N 1 0 294.351 2.820 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC[C@@H]([NH3+])C1 ZINC000601323580 350723725 /nfs/dbraw/zinc/72/37/25/350723725.db2.gz CJUZPARSNZKNAL-GXTWGEPZSA-N 1 0 277.368 2.859 20 5 CFBDRO CC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602520121 350912992 /nfs/dbraw/zinc/91/29/92/350912992.db2.gz DWVVEZKBVILTBZ-UHFFFAOYSA-N 1 0 292.383 2.594 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000602544047 350919353 /nfs/dbraw/zinc/91/93/53/350919353.db2.gz HYONDZJQWNLCOA-UHFFFAOYSA-N 1 0 287.319 2.793 20 5 CFBDRO CCOC1CC(C[NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000602555870 350922835 /nfs/dbraw/zinc/92/28/35/350922835.db2.gz BYWCFEUVCLGVNQ-UHFFFAOYSA-N 1 0 278.352 2.542 20 5 CFBDRO CO[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000602599165 350940902 /nfs/dbraw/zinc/94/09/02/350940902.db2.gz FNFXFGLXAWFLEX-CQSZACIVSA-N 1 0 298.770 2.805 20 5 CFBDRO CO[C@H]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602581517 350933719 /nfs/dbraw/zinc/93/37/19/350933719.db2.gz JIKKQGHJCAYCNH-ZFWWWQNUSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CS1 ZINC000602690039 350980559 /nfs/dbraw/zinc/98/05/59/350980559.db2.gz JNTLNUDBUAIEHS-RKDXNWHRSA-N 1 0 293.348 2.720 20 5 CFBDRO CSC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000602727108 351002357 /nfs/dbraw/zinc/00/23/57/351002357.db2.gz YHBWZTFAANKKAI-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO COCCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602637078 350956432 /nfs/dbraw/zinc/95/64/32/350956432.db2.gz BQQRSISZWZQHNH-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602771606 351020475 /nfs/dbraw/zinc/02/04/75/351020475.db2.gz GAHNZVBXSODMRJ-MNOVXSKESA-N 1 0 280.372 2.727 20 5 CFBDRO CC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602785846 351024763 /nfs/dbraw/zinc/02/47/63/351024763.db2.gz YJWBHOMURRWCTM-CYBMUJFWSA-N 1 0 280.372 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000602787625 351026097 /nfs/dbraw/zinc/02/60/97/351026097.db2.gz ZWDOSZUSIVNWII-UHFFFAOYSA-N 1 0 292.383 2.756 20 5 CFBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602808404 351033450 /nfs/dbraw/zinc/03/34/50/351033450.db2.gz YWJAWHZPKDZLOY-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO CCC(C)(C)[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602880182 351056510 /nfs/dbraw/zinc/05/65/10/351056510.db2.gz NNIRXSCPTGBXEI-SNVBAGLBSA-N 1 0 268.361 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000602742048 351010890 /nfs/dbraw/zinc/01/08/90/351010890.db2.gz KOMDBZQAUBAVFP-GHMZBOCLSA-N 1 0 274.242 2.678 20 5 CFBDRO CC/C=C\CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962672 351073363 /nfs/dbraw/zinc/07/33/63/351073363.db2.gz NMMAWUUNOBVZDH-XVWMLYKFSA-N 1 0 278.352 2.748 20 5 CFBDRO CC1(F)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000602993182 351087502 /nfs/dbraw/zinc/08/75/02/351087502.db2.gz SLCBNPBZXCZDOH-UHFFFAOYSA-N 1 0 282.315 2.798 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603437076 351164098 /nfs/dbraw/zinc/16/40/98/351164098.db2.gz HSWFWFDEONIURO-GGDKPGKJSA-N 1 0 290.363 2.915 20 5 CFBDRO CCC(CC)[C@H](CNc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000603845789 351185485 /nfs/dbraw/zinc/18/54/85/351185485.db2.gz NQNUPYWWTJJNHL-ZDUSSCGKSA-N 1 0 280.372 2.768 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604323388 351207120 /nfs/dbraw/zinc/20/71/20/351207120.db2.gz LPFUPDICHJETPU-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609385622 351500359 /nfs/dbraw/zinc/50/03/59/351500359.db2.gz CMHMLCGCRKMQCW-AWEZNQCLSA-N 1 0 277.368 2.557 20 5 CFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2cccnc2[N+](=O)[O-])C1 ZINC000608856126 351479667 /nfs/dbraw/zinc/47/96/67/351479667.db2.gz PFALTKDBNGZFPH-LBPRGKRZSA-N 1 0 292.383 2.912 20 5 CFBDRO CSCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000608835426 351479676 /nfs/dbraw/zinc/47/96/76/351479676.db2.gz BVTFXFNSXTXPLK-XQRVVYSFSA-N 1 0 252.339 2.561 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133483 351535951 /nfs/dbraw/zinc/53/59/51/351535951.db2.gz RZJDVZKUPOJYLU-VXGBXAGGSA-N 1 0 264.325 2.704 20 5 CFBDRO COc1cc(N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000610275777 351546688 /nfs/dbraw/zinc/54/66/88/351546688.db2.gz HXGLWCOFGUTWKZ-UHFFFAOYSA-N 1 0 293.367 2.570 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420534 351564633 /nfs/dbraw/zinc/56/46/33/351564633.db2.gz OCVBFUVQSCVNLE-SWLSCSKDSA-N 1 0 289.379 2.730 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000610481089 351568713 /nfs/dbraw/zinc/56/87/13/351568713.db2.gz VSXNXVDXQSRQGV-CYBMUJFWSA-N 1 0 295.358 2.696 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610517412 351576389 /nfs/dbraw/zinc/57/63/89/351576389.db2.gz DTGPEMRFRKXJKT-CQSZACIVSA-N 1 0 274.324 2.867 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000610550195 351581167 /nfs/dbraw/zinc/58/11/67/351581167.db2.gz KBPHLJFNMWCSCX-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000610715985 351596198 /nfs/dbraw/zinc/59/61/98/351596198.db2.gz WQOGZNGCLFMOTA-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000610715984 351596298 /nfs/dbraw/zinc/59/62/98/351596298.db2.gz WQOGZNGCLFMOTA-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO Cc1nc(Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000610754830 351604298 /nfs/dbraw/zinc/60/42/98/351604298.db2.gz KRVPRMUDZFPXJP-UHFFFAOYSA-N 1 0 296.290 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)COC3)cc1 ZINC000610786877 351607813 /nfs/dbraw/zinc/60/78/13/351607813.db2.gz NZLLYQUAIVVEKP-UHFFFAOYSA-N 1 0 298.342 2.957 20 5 CFBDRO C[NH+](C)CC1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000611001647 351632295 /nfs/dbraw/zinc/63/22/95/351632295.db2.gz MEQKRHJLEGEXKH-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000611179467 351649030 /nfs/dbraw/zinc/64/90/30/351649030.db2.gz CRSLYBHSVCMZJE-JTQLQIEISA-N 1 0 286.278 2.690 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249399 351656989 /nfs/dbraw/zinc/65/69/89/351656989.db2.gz UOOZUWSMXOALMO-LLVKDONJSA-N 1 0 292.335 2.598 20 5 CFBDRO CC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249827 351657162 /nfs/dbraw/zinc/65/71/62/351657162.db2.gz YKKCZJPKCNSMFW-UHFFFAOYSA-N 1 0 292.335 2.598 20 5 CFBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256593 351659264 /nfs/dbraw/zinc/65/92/64/351659264.db2.gz ILEHAXNFQQAFQK-HZRUHFOJSA-N 1 0 290.363 2.966 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264240 351659971 /nfs/dbraw/zinc/65/99/71/351659971.db2.gz CXAOEAXEXUDHCZ-GFCCVEGCSA-N 1 0 292.335 2.740 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCOC(C)(C)C ZINC000610859686 351615415 /nfs/dbraw/zinc/61/54/15/351615415.db2.gz HNKSYJUGPMGNKQ-UHFFFAOYSA-N 1 0 296.367 2.721 20 5 CFBDRO CCCC[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000611411888 351684933 /nfs/dbraw/zinc/68/49/33/351684933.db2.gz AWLCSPPPMMJVHI-UHFFFAOYSA-N 1 0 257.359 2.800 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000611470306 351693994 /nfs/dbraw/zinc/69/39/94/351693994.db2.gz WYRJSVAMRVZUJB-NWDGAFQWSA-N 1 0 280.368 2.665 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000611481176 351696076 /nfs/dbraw/zinc/69/60/76/351696076.db2.gz SURJZXCJCPPLRF-UHFFFAOYSA-N 1 0 266.341 2.578 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1sccc1[N+](=O)[O-])CC2 ZINC000611509794 351701629 /nfs/dbraw/zinc/70/16/29/351701629.db2.gz DRKYRYHPZYXJFL-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000611520946 351703505 /nfs/dbraw/zinc/70/35/05/351703505.db2.gz FOUIKGCNASAEST-SNVBAGLBSA-N 1 0 274.324 2.520 20 5 CFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccs1 ZINC000611538821 351706098 /nfs/dbraw/zinc/70/60/98/351706098.db2.gz DYGYNLMJZZSBJP-UHFFFAOYSA-N 1 0 294.380 2.683 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCOCC3(CC3)C2)c(Cl)c1 ZINC000611815589 351743407 /nfs/dbraw/zinc/74/34/07/351743407.db2.gz QJHJVWFOQUVUCI-UHFFFAOYSA-N 1 0 296.754 2.861 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000611616496 351714596 /nfs/dbraw/zinc/71/45/96/351714596.db2.gz UEPGOZJQHMUORL-ZDUSSCGKSA-N 1 0 290.367 2.503 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)C2CC2)n1 ZINC000611616322 351714674 /nfs/dbraw/zinc/71/46/74/351714674.db2.gz WHZDFZYYIPSLLR-NSHDSACASA-N 1 0 278.356 2.501 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616718 351715206 /nfs/dbraw/zinc/71/52/06/351715206.db2.gz GUBKHSMRDZHOGG-CYBMUJFWSA-N 1 0 292.383 2.527 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CCC1 ZINC000612422599 351818957 /nfs/dbraw/zinc/81/89/57/351818957.db2.gz FEWBBOCVRNONSG-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO CC[C@H](CO)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000122194855 187020425 /nfs/dbraw/zinc/02/04/25/187020425.db2.gz DVCATYOYCGPWIJ-SNVBAGLBSA-N 1 0 275.308 2.634 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122593357 187040020 /nfs/dbraw/zinc/04/00/20/187040020.db2.gz UNKYLPZPTSJZSL-NSHDSACASA-N 1 0 297.786 2.632 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123342044 187086223 /nfs/dbraw/zinc/08/62/23/187086223.db2.gz QDUKZFUGKQXTJS-SWLSCSKDSA-N 1 0 277.368 2.509 20 5 CFBDRO Cc1c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123630058 187101545 /nfs/dbraw/zinc/10/15/45/187101545.db2.gz QDTSLRRIKLYKLY-DOMZBBRYSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123644575 187102295 /nfs/dbraw/zinc/10/22/95/187102295.db2.gz CNASNPKRHUDGTP-JQWIXIFHSA-N 1 0 283.397 2.571 20 5 CFBDRO C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123737285 187106888 /nfs/dbraw/zinc/10/68/88/187106888.db2.gz DRXJWZCTNPVZAK-CJNGLKHVSA-N 1 0 291.395 2.552 20 5 CFBDRO COc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000130716995 187514719 /nfs/dbraw/zinc/51/47/19/187514719.db2.gz CUMHTLLOKBNLSR-UHFFFAOYSA-N 1 0 276.336 2.883 20 5 CFBDRO COc1cccc(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000613876770 352020580 /nfs/dbraw/zinc/02/05/80/352020580.db2.gz IKKLZRCJIRRBTF-LBPRGKRZSA-N 1 0 293.367 2.570 20 5 CFBDRO Cc1ccc(CN(C)Cc2csc([N+](=O)[O-])c2)nc1 ZINC000616152122 352291873 /nfs/dbraw/zinc/29/18/73/352291873.db2.gz TZCANVHZQAZCEU-UHFFFAOYSA-N 1 0 277.349 2.992 20 5 CFBDRO CC(C)=CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616481505 352357041 /nfs/dbraw/zinc/35/70/41/352357041.db2.gz HLDHFVDQGVLNHL-UHFFFAOYSA-N 1 0 292.335 2.812 20 5 CFBDRO CC[C@@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865362 352436215 /nfs/dbraw/zinc/43/62/15/352436215.db2.gz MYPUNZJJIYNOJW-OAHLLOKOSA-N 1 0 294.351 2.522 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000271524902 191193230 /nfs/dbraw/zinc/19/32/30/191193230.db2.gz OYWWHERCOROLAQ-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000271528408 191195212 /nfs/dbraw/zinc/19/52/12/191195212.db2.gz WEBVLZOLNIAMJW-OLZOCXBDSA-N 1 0 288.351 2.839 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])s2)C1 ZINC000617454925 352566279 /nfs/dbraw/zinc/56/62/79/352566279.db2.gz PBIJBOUWQWMVGY-QWRGUYRKSA-N 1 0 281.381 2.577 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)COC ZINC000566020685 290342184 /nfs/dbraw/zinc/34/21/84/290342184.db2.gz AELVNLXLOPRQQB-LBPRGKRZSA-N 1 0 282.340 2.508 20 5 CFBDRO CC1(C)CCC[N@H+](CCNc2cccnc2[N+](=O)[O-])C1 ZINC000618175369 352730127 /nfs/dbraw/zinc/73/01/27/352730127.db2.gz VZBYUXDOOZKQSG-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)CC1CC1)CCC2 ZINC000618572356 352814927 /nfs/dbraw/zinc/81/49/27/352814927.db2.gz YRFKVBSQFUMZCO-CZUORRHYSA-N 1 0 290.363 2.723 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000619426593 353021058 /nfs/dbraw/zinc/02/10/58/353021058.db2.gz IRQUTHLPXXTZEC-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC000153105166 188065045 /nfs/dbraw/zinc/06/50/45/188065045.db2.gz KVYNSDLNXSVFDE-SWLSCSKDSA-N 1 0 290.363 2.542 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000153129967 188065650 /nfs/dbraw/zinc/06/56/50/188065650.db2.gz XPBAYIGQHOSENO-XBXGTLAGSA-N 1 0 278.352 2.544 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152817986 188045186 /nfs/dbraw/zinc/04/51/86/188045186.db2.gz VWXRPLIZYJCDDJ-RYUDHWBXSA-N 1 0 276.336 2.835 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000153764887 188102884 /nfs/dbraw/zinc/10/28/84/188102884.db2.gz JSFAFPQTTKFTDN-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000292329054 198246757 /nfs/dbraw/zinc/24/67/57/198246757.db2.gz ASIYHRDMFHBAJT-LBPRGKRZSA-N 1 0 295.358 2.820 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153905894 188110853 /nfs/dbraw/zinc/11/08/53/188110853.db2.gz REYQMSPZHZJCDT-MNOVXSKESA-N 1 0 298.774 2.928 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000154575983 188151356 /nfs/dbraw/zinc/15/13/56/188151356.db2.gz SOBNDQRFLWEYTK-OLZOCXBDSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1c(C[N@@H+](C)C2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000156255879 188251526 /nfs/dbraw/zinc/25/15/26/188251526.db2.gz ZQYYVPZJJGPCOB-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000342115754 535226027 /nfs/dbraw/zinc/22/60/27/535226027.db2.gz AJOKEVNSOJYFGX-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157864612 188342879 /nfs/dbraw/zinc/34/28/79/188342879.db2.gz GYTYFRNCKBMUGV-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H](CCO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295178865 199390153 /nfs/dbraw/zinc/39/01/53/199390153.db2.gz VIFLOQHLGLXDGZ-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO Cc1cccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000292986685 198485659 /nfs/dbraw/zinc/48/56/59/198485659.db2.gz GAQLCHQCWOPXBH-AWEZNQCLSA-N 1 0 289.379 2.825 20 5 CFBDRO CCCCOC(=O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271797913 191334178 /nfs/dbraw/zinc/33/41/78/191334178.db2.gz WAIVJSBHMUPNCL-LBPRGKRZSA-N 1 0 294.351 2.979 20 5 CFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000271821114 191349662 /nfs/dbraw/zinc/34/96/62/191349662.db2.gz MWZVIXPAZHSMGA-JRCXTIHVSA-N 1 0 276.336 2.623 20 5 CFBDRO Cc1ccc(C[NH+]2CCC(CCCO)CC2)cc1[N+](=O)[O-] ZINC000272963553 191999655 /nfs/dbraw/zinc/99/96/55/191999655.db2.gz QLBVQFWTVJSFCS-UHFFFAOYSA-N 1 0 292.379 2.888 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294352464 199008548 /nfs/dbraw/zinc/00/85/48/199008548.db2.gz PWYRJGQJEDDHAW-VXGBXAGGSA-N 1 0 294.399 2.556 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000294922875 199251500 /nfs/dbraw/zinc/25/15/00/199251500.db2.gz GYCITWIVBHDXBR-IAQYHMDHSA-N 1 0 278.352 2.979 20 5 CFBDRO CCC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296879837 200023975 /nfs/dbraw/zinc/02/39/75/200023975.db2.gz WVDOQZDZUWNETQ-HNNXBMFYSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000422942448 237371982 /nfs/dbraw/zinc/37/19/82/237371982.db2.gz KFLFBDYXDBXROB-GUYCJALGSA-N 1 0 299.374 2.643 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC000177335508 189044438 /nfs/dbraw/zinc/04/44/38/189044438.db2.gz BPJMPQSWTNMWMN-ZBFHGGJFSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000177209344 189036916 /nfs/dbraw/zinc/03/69/16/189036916.db2.gz ILUDRMZPNAVJOA-NXEZZACHSA-N 1 0 275.308 2.966 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000178166505 189094506 /nfs/dbraw/zinc/09/45/06/189094506.db2.gz UHANADXRGNTENW-LLVKDONJSA-N 1 0 266.341 2.654 20 5 CFBDRO CC(C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178865157 189151415 /nfs/dbraw/zinc/15/14/15/189151415.db2.gz VPALTRFRSRWEMP-BBRMVZONSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178865168 189151552 /nfs/dbraw/zinc/15/15/52/189151552.db2.gz VPALTRFRSRWEMP-CJNGLKHVSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179396271 189190994 /nfs/dbraw/zinc/19/09/94/189190994.db2.gz IOHZKRWTMUXFLD-GFCCVEGCSA-N 1 0 264.325 2.514 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000179408534 189192637 /nfs/dbraw/zinc/19/26/37/189192637.db2.gz ZSAFKEFWEHSOSL-NEPJUHHUSA-N 1 0 296.367 2.927 20 5 CFBDRO CCC[C@@H]([NH2+]CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179565762 189202213 /nfs/dbraw/zinc/20/22/13/189202213.db2.gz YAPYPXDRRRMMPN-CQSZACIVSA-N 1 0 294.351 2.789 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423219056 238285018 /nfs/dbraw/zinc/28/50/18/238285018.db2.gz VTDHJDRNVWHFDS-NVXWUHKLSA-N 1 0 297.358 2.636 20 5 CFBDRO CC[C@@H]([NH2+]CCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000181527740 189299607 /nfs/dbraw/zinc/29/96/07/189299607.db2.gz OJAWDSFGORZCHN-CQSZACIVSA-N 1 0 266.341 2.798 20 5 CFBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301442038 201010365 /nfs/dbraw/zinc/01/03/65/201010365.db2.gz PDOJWFNMXPLAGO-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000301465393 201018857 /nfs/dbraw/zinc/01/88/57/201018857.db2.gz HJMLGEBNEJLGKS-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1cnc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301466992 201018920 /nfs/dbraw/zinc/01/89/20/201018920.db2.gz XUSWQTARWHRWNU-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO CCCC[N@H+](CCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000182153856 189315786 /nfs/dbraw/zinc/31/57/86/189315786.db2.gz LYXGGPIBRJMWHR-UHFFFAOYSA-N 1 0 280.368 2.622 20 5 CFBDRO COc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301627811 201103558 /nfs/dbraw/zinc/10/35/58/201103558.db2.gz HMOBCIWRAMKLNT-LLVKDONJSA-N 1 0 295.383 2.992 20 5 CFBDRO CCC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000183206408 189349800 /nfs/dbraw/zinc/34/98/00/189349800.db2.gz YHEDZNZHBVOFKS-CYBMUJFWSA-N 1 0 293.367 2.537 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1 ZINC000183295188 189353630 /nfs/dbraw/zinc/35/36/30/189353630.db2.gz CGIPJHIPBCESJW-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183388615 189357840 /nfs/dbraw/zinc/35/78/40/189357840.db2.gz KJHLBMUFCIJFEZ-ZDUSSCGKSA-N 1 0 278.352 2.762 20 5 CFBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183563097 189362395 /nfs/dbraw/zinc/36/23/95/189362395.db2.gz MGQSWABXHFGPRT-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C)CCOCC1 ZINC000183602286 189363662 /nfs/dbraw/zinc/36/36/62/189363662.db2.gz OEQZLJMAOMSFHE-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO CC[NH+]1CCC(N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301762739 201182120 /nfs/dbraw/zinc/18/21/20/201182120.db2.gz CBXMVLSGFKVBEW-UHFFFAOYSA-N 1 0 299.321 2.794 20 5 CFBDRO COc1cc(C[N@H+](C)CC2CC2)c([N+](=O)[O-])cc1F ZINC000184247393 189380609 /nfs/dbraw/zinc/38/06/09/189380609.db2.gz ZQTFECQGWYQLOR-UHFFFAOYSA-N 1 0 268.288 2.584 20 5 CFBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000301941091 201270382 /nfs/dbraw/zinc/27/03/82/201270382.db2.gz VMYWKFIPCVOQCR-SNVBAGLBSA-N 1 0 281.337 2.964 20 5 CFBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000302020080 201302514 /nfs/dbraw/zinc/30/25/14/201302514.db2.gz NIYMUZRDFFSZGS-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000186788545 189450555 /nfs/dbraw/zinc/45/05/55/189450555.db2.gz FOUQEIRDXNIRDK-RBSFLKMASA-N 1 0 278.352 2.939 20 5 CFBDRO COCC(C)(C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426419278 239223571 /nfs/dbraw/zinc/22/35/71/239223571.db2.gz INKMRFGQSIBSAI-UHFFFAOYSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000189683336 189542452 /nfs/dbraw/zinc/54/24/52/189542452.db2.gz ZGURZXMJRWWPSD-SNVBAGLBSA-N 1 0 284.385 2.585 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189937572 189549724 /nfs/dbraw/zinc/54/97/24/189549724.db2.gz LLDQKTFLFMKGGR-ZDSVCRJJSA-N 1 0 290.363 2.749 20 5 CFBDRO CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000190307444 189560191 /nfs/dbraw/zinc/56/01/91/189560191.db2.gz PJQYUBNXHCQVCE-UHFFFAOYSA-N 1 0 284.385 2.585 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432416642 240002227 /nfs/dbraw/zinc/00/22/27/240002227.db2.gz HYCPYSMKFDFANL-DCBWTQNWSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC2CC(O)C2)cccc1[N+](=O)[O-] ZINC000432450800 240009228 /nfs/dbraw/zinc/00/92/28/240009228.db2.gz YBWIVMJHTASHTE-PNESKVBLSA-N 1 0 278.352 2.715 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H](C)O ZINC000433202245 240126279 /nfs/dbraw/zinc/12/62/79/240126279.db2.gz ZQVKEKWFVFWDRL-SUIFULHWSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H](CCNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000193498157 189644439 /nfs/dbraw/zinc/64/44/39/189644439.db2.gz ITZCDMURXQIJOW-LBPRGKRZSA-N 1 0 292.383 2.853 20 5 CFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330925 241051376 /nfs/dbraw/zinc/05/13/76/241051376.db2.gz USPMPWQFYMKBPR-UEKVPHQBSA-N 1 0 296.342 2.715 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000446086325 241278031 /nfs/dbraw/zinc/27/80/31/241278031.db2.gz YWFGCVUKEQLHSP-AGIUHOORSA-N 1 0 278.352 2.635 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000446715862 241315527 /nfs/dbraw/zinc/31/55/27/241315527.db2.gz FPCOAGHQDHSKSW-CYBMUJFWSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000224385359 189741720 /nfs/dbraw/zinc/74/17/20/189741720.db2.gz UFRJORRPWJVMCM-GHMZBOCLSA-N 1 0 266.366 2.999 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000449172715 241744185 /nfs/dbraw/zinc/74/41/85/241744185.db2.gz WIWHDPQLIHDTNO-MBNYWOFBSA-N 1 0 278.352 2.540 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449332811 241852509 /nfs/dbraw/zinc/85/25/09/241852509.db2.gz DXIDNOZFUZHZAD-YPMHNXCESA-N 1 0 266.341 2.540 20 5 CFBDRO CC/C=C\C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449459643 241948473 /nfs/dbraw/zinc/94/84/73/241948473.db2.gz QRESMUWAWMBEKL-QMAVJUDZSA-N 1 0 291.351 2.868 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449566375 242036449 /nfs/dbraw/zinc/03/64/49/242036449.db2.gz OECXHDYKAFRAHL-GFCCVEGCSA-N 1 0 283.397 2.572 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000449740574 242129371 /nfs/dbraw/zinc/12/93/71/242129371.db2.gz PYAYBDZDWOIKDO-MLGOLLRUSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346790034 299373202 /nfs/dbraw/zinc/37/32/02/299373202.db2.gz FUYRXIYVRPQHGS-SLEUVZQESA-N 1 0 277.368 2.728 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+]2CCC1CC2 ZINC000302759099 201542288 /nfs/dbraw/zinc/54/22/88/201542288.db2.gz JOLQNCWCAOTQRJ-UHFFFAOYSA-N 1 0 281.743 2.533 20 5 CFBDRO CC(C)(C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000452070704 243034762 /nfs/dbraw/zinc/03/47/62/243034762.db2.gz GMLCOBYNHSOPPR-GFCCVEGCSA-N 1 0 280.372 2.549 20 5 CFBDRO C[C@@H]1C[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614983 203041475 /nfs/dbraw/zinc/04/14/75/203041475.db2.gz UATVQIIBKWCKKB-KGLIPLIRSA-N 1 0 292.379 2.884 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330709232 203140894 /nfs/dbraw/zinc/14/08/94/203140894.db2.gz OEJBJNHXYIHXGO-HUUCEWRRSA-N 1 0 292.379 2.824 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851233 203312057 /nfs/dbraw/zinc/31/20/57/203312057.db2.gz NOGMSIMIRRSEMC-JQWIXIFHSA-N 1 0 284.381 2.639 20 5 CFBDRO Cc1cc(N(C)CCCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276234095 193252227 /nfs/dbraw/zinc/25/22/27/193252227.db2.gz NYGDCGYYOQLBOG-UHFFFAOYSA-N 1 0 289.335 2.660 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276418190 193322729 /nfs/dbraw/zinc/32/27/29/193322729.db2.gz HZTHDPRFPGZLHV-GFCCVEGCSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000276430445 193327266 /nfs/dbraw/zinc/32/72/66/193327266.db2.gz POUAPMZCSFBTMP-UTUOFQBUSA-N 1 0 264.325 2.813 20 5 CFBDRO CCOc1cc(C[NH2+][C@H](COC)C2CC2)ccc1[N+](=O)[O-] ZINC000276971305 193518778 /nfs/dbraw/zinc/51/87/78/193518778.db2.gz XAXJARCWSPIORG-CYBMUJFWSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccn(C)n1 ZINC000459765884 245311766 /nfs/dbraw/zinc/31/17/66/245311766.db2.gz PHDCZUZMGHEBJL-VXGBXAGGSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332297607 204579859 /nfs/dbraw/zinc/57/98/59/204579859.db2.gz URWJKGTYWIZFGH-RYUDHWBXSA-N 1 0 264.325 2.624 20 5 CFBDRO C[C@H]([NH2+]C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000020089659 372229086 /nfs/dbraw/zinc/22/90/86/372229086.db2.gz DWCWLLITKXACDP-JKDOVBDQSA-N 1 0 264.325 2.549 20 5 CFBDRO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000020094659 372231248 /nfs/dbraw/zinc/23/12/48/372231248.db2.gz KRVYJVARXMXGKI-UHFFFAOYSA-N 1 0 291.395 2.949 20 5 CFBDRO CCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000024165785 372272572 /nfs/dbraw/zinc/27/25/72/372272572.db2.gz OHJIOHLUPIOPOV-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084560 372536930 /nfs/dbraw/zinc/53/69/30/372536930.db2.gz UEDYYCCKBJXIIN-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCCC[NH3+] ZINC000037029633 372638976 /nfs/dbraw/zinc/63/89/76/372638976.db2.gz WJDDRQJVWZMIRY-UHFFFAOYSA-N 1 0 279.340 2.751 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037157499 372660191 /nfs/dbraw/zinc/66/01/91/372660191.db2.gz ZJXJEHPKNMFILA-WFASDCNBSA-N 1 0 288.351 2.921 20 5 CFBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775563 372706356 /nfs/dbraw/zinc/70/63/56/372706356.db2.gz XIOFQMLENAZKIA-PRTUASRFSA-N 1 0 289.379 2.871 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000037985910 372749049 /nfs/dbraw/zinc/74/90/49/372749049.db2.gz FNUGQLPFAISTTN-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040999633 372803161 /nfs/dbraw/zinc/80/31/61/372803161.db2.gz AUKJELRMOARXIF-UHFFFAOYSA-N 1 0 263.322 2.828 20 5 CFBDRO CCCCOCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000041066816 372809510 /nfs/dbraw/zinc/80/95/10/372809510.db2.gz QFTZPPCJJWJAKC-UHFFFAOYSA-N 1 0 252.314 2.501 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245432188 284349449 /nfs/dbraw/zinc/34/94/49/284349449.db2.gz BDEWQVPNXUJUIU-KGLIPLIRSA-N 1 0 291.395 2.929 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000041663615 372857348 /nfs/dbraw/zinc/85/73/48/372857348.db2.gz CAPNHIDXJZUNNV-LBPRGKRZSA-N 1 0 263.341 2.737 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000048261696 373156735 /nfs/dbraw/zinc/15/67/35/373156735.db2.gz BQGJJDXUYSPUCO-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000048579937 373203567 /nfs/dbraw/zinc/20/35/67/373203567.db2.gz CNJBSABIZUNBCU-UHFFFAOYSA-N 1 0 297.742 2.529 20 5 CFBDRO CC(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049442729 373297875 /nfs/dbraw/zinc/29/78/75/373297875.db2.gz SYSVVDKOHGWHKY-NSHDSACASA-N 1 0 279.340 2.510 20 5 CFBDRO COC(=O)CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000289717695 197457806 /nfs/dbraw/zinc/45/78/06/197457806.db2.gz GZBZKLULGRNRIK-UHFFFAOYSA-N 1 0 294.351 2.726 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCCCCC1 ZINC000050015752 373340656 /nfs/dbraw/zinc/34/06/56/373340656.db2.gz JELODIBMMQIRJL-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000050105121 373355449 /nfs/dbraw/zinc/35/54/49/373355449.db2.gz OHILYWUOQTYIJN-CQSZACIVSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443674 373378995 /nfs/dbraw/zinc/37/89/95/373378995.db2.gz YUYLGWPSNPEPEB-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051994437 373427249 /nfs/dbraw/zinc/42/72/49/373427249.db2.gz OPFXLHVFQMLPSH-KYOSRNDESA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000052178495 373442865 /nfs/dbraw/zinc/44/28/65/373442865.db2.gz LGORAQAFNJHDCJ-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCCC[C@@H]1C ZINC000052812206 373451582 /nfs/dbraw/zinc/45/15/82/373451582.db2.gz CXZPJWIJZBZXDT-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054128382 373500248 /nfs/dbraw/zinc/50/02/48/373500248.db2.gz IJDOPCDNSZDZDJ-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000062077284 373747620 /nfs/dbraw/zinc/74/76/20/373747620.db2.gz SILGBBYGQDTWIF-KBPBESRZSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000062999672 373778615 /nfs/dbraw/zinc/77/86/15/373778615.db2.gz DFUVRNMWDQNBGO-WBMJQRKESA-N 1 0 286.331 2.979 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000066472370 373934327 /nfs/dbraw/zinc/93/43/27/373934327.db2.gz RUNHPOQTIYSCDA-CQSZACIVSA-N 1 0 287.363 2.826 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000068475304 374030256 /nfs/dbraw/zinc/03/02/56/374030256.db2.gz OMWFUSUPEFHSDT-GFCCVEGCSA-N 1 0 278.352 2.637 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1Cn1ccnc1C(C)C ZINC000070423112 374171385 /nfs/dbraw/zinc/17/13/85/374171385.db2.gz RTOXSBJLJKFLIR-UHFFFAOYSA-N 1 0 275.308 2.972 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975530 374309821 /nfs/dbraw/zinc/30/98/21/374309821.db2.gz IHSNKFVWADXDHC-HNNXBMFYSA-N 1 0 292.379 2.886 20 5 CFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000073756637 374379712 /nfs/dbraw/zinc/37/97/12/374379712.db2.gz NHOZXAQYKDXVTE-ZDUSSCGKSA-N 1 0 280.372 2.768 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079712688 374625843 /nfs/dbraw/zinc/62/58/43/374625843.db2.gz UXJPVOBIUZDVSQ-CMPLNLGQSA-N 1 0 252.314 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000084439947 374776093 /nfs/dbraw/zinc/77/60/93/374776093.db2.gz IOLJRFPYWDBBCX-LBPRGKRZSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCSCC2)cc1 ZINC000089981737 374979726 /nfs/dbraw/zinc/97/97/26/374979726.db2.gz YEGPMYYLBHQLGM-UHFFFAOYSA-N 1 0 296.392 2.803 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000090794518 375028240 /nfs/dbraw/zinc/02/82/40/375028240.db2.gz KCKYLUUMBNTAAQ-CHWSQXEVSA-N 1 0 291.351 2.642 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000090794964 375030455 /nfs/dbraw/zinc/03/04/55/375030455.db2.gz SGXFZHIHIFXEAL-DGCLKSJQSA-N 1 0 263.341 2.798 20 5 CFBDRO CCOCC[N@H+](CC)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092537639 375119903 /nfs/dbraw/zinc/11/99/03/375119903.db2.gz PFBGJGRODUDIJR-VQHVLOKHSA-N 1 0 278.352 2.966 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000451787002 383707152 /nfs/dbraw/zinc/70/71/52/383707152.db2.gz XQNPSJMILAFLFV-HNNXBMFYSA-N 1 0 294.395 2.866 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000494250624 246760434 /nfs/dbraw/zinc/76/04/34/246760434.db2.gz KCQUKKVUXUIEEX-SWLSCSKDSA-N 1 0 294.351 2.521 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093505812 375258721 /nfs/dbraw/zinc/25/87/21/375258721.db2.gz VPMYKXXDIAKXQZ-ZBFHGGJFSA-N 1 0 290.363 2.904 20 5 CFBDRO CCC(CC)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534843 375263480 /nfs/dbraw/zinc/26/34/80/375263480.db2.gz ZLEQOQOAWCPBSP-ZDUSSCGKSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000093521167 375264107 /nfs/dbraw/zinc/26/41/07/375264107.db2.gz GEINKOBAVNYTNW-HIFRSBDPSA-N 1 0 291.395 2.995 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094941716 375391386 /nfs/dbraw/zinc/39/13/86/375391386.db2.gz HYOZCTIRYUGJEI-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094948917 375395009 /nfs/dbraw/zinc/39/50/09/375395009.db2.gz UDRINCNBFMLLLN-CHWSQXEVSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094948456 375395058 /nfs/dbraw/zinc/39/50/58/375395058.db2.gz VDSIWKUZSCTKBE-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000094659465 375373510 /nfs/dbraw/zinc/37/35/10/375373510.db2.gz DUXHNHZTFDLNMA-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)CC[NH+](C)C ZINC000097635509 375575884 /nfs/dbraw/zinc/57/58/84/375575884.db2.gz HONRUNGPYQRRQM-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO COC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102418950 375675194 /nfs/dbraw/zinc/67/51/94/375675194.db2.gz IGSYXXFIEWBYMZ-NSHDSACASA-N 1 0 290.319 2.979 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829718 375810116 /nfs/dbraw/zinc/81/01/16/375810116.db2.gz DMZVNJNBSNUVEQ-NWDGAFQWSA-N 1 0 261.325 2.634 20 5 CFBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000111384573 375842133 /nfs/dbraw/zinc/84/21/33/375842133.db2.gz MXLBBUUIAZVNHX-HNNXBMFYSA-N 1 0 280.368 2.969 20 5 CFBDRO CC(C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000111385816 375843171 /nfs/dbraw/zinc/84/31/71/375843171.db2.gz OLEDSHVERHPQEK-UHFFFAOYSA-N 1 0 290.319 2.715 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000119217338 376375646 /nfs/dbraw/zinc/37/56/46/376375646.db2.gz IOIDLARLOOZLAS-ZDUSSCGKSA-N 1 0 298.770 2.984 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000119866512 376492999 /nfs/dbraw/zinc/49/29/99/376492999.db2.gz TYZGXGBEKBVHBE-LBPRGKRZSA-N 1 0 252.339 2.532 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120135476 376554418 /nfs/dbraw/zinc/55/44/18/376554418.db2.gz CRCLLFQOKACFNT-TXEJJXNPSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N(C)C)nc2)n1 ZINC000120825709 376700799 /nfs/dbraw/zinc/70/07/99/376700799.db2.gz KNULMRULQXPFPS-UHFFFAOYSA-N 1 0 273.296 2.503 20 5 CFBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000264463750 190111748 /nfs/dbraw/zinc/11/17/48/190111748.db2.gz LDZZPXKCAYHHKZ-UHFFFAOYSA-N 1 0 286.335 2.838 20 5 CFBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900037 376716911 /nfs/dbraw/zinc/71/69/11/376716911.db2.gz YFUBGVMOICRPAW-OCCSQVGLSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000121759432 376900001 /nfs/dbraw/zinc/90/00/01/376900001.db2.gz ARLMGLWONTVUCR-RKDXNWHRSA-N 1 0 297.305 2.910 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000129624082 377454572 /nfs/dbraw/zinc/45/45/72/377454572.db2.gz NNPGTHVTMJHBNU-OUAUKWLOSA-N 1 0 252.314 2.669 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccs1 ZINC000265828918 190211354 /nfs/dbraw/zinc/21/13/54/190211354.db2.gz ZUHKUWVTRVZBNH-GFCCVEGCSA-N 1 0 298.389 2.715 20 5 CFBDRO Cc1ccc(C[NH2+]C2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000131184606 377672178 /nfs/dbraw/zinc/67/21/78/377672178.db2.gz RATRXHFBDZFFSS-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131679410 377746756 /nfs/dbraw/zinc/74/67/56/377746756.db2.gz ABTWVQSYIAVLKC-CYBMUJFWSA-N 1 0 275.352 2.517 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000132003696 377789816 /nfs/dbraw/zinc/78/98/16/377789816.db2.gz SGHPGYYIARHGSK-VXGBXAGGSA-N 1 0 266.341 2.540 20 5 CFBDRO CSC[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000135447211 378133078 /nfs/dbraw/zinc/13/30/78/378133078.db2.gz BRZPEZVSEPFUIA-AWEZNQCLSA-N 1 0 280.393 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCF)CC2)cc1 ZINC000151136502 378299186 /nfs/dbraw/zinc/29/91/86/378299186.db2.gz MAHKYQHMOWPWLS-UHFFFAOYSA-N 1 0 282.315 2.798 20 5 CFBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000152943411 378460859 /nfs/dbraw/zinc/46/08/59/378460859.db2.gz UXUNQZQHFYIJJJ-NFBGWVBBSA-N 1 0 276.336 2.767 20 5 CFBDRO CC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153704193 378505561 /nfs/dbraw/zinc/50/55/61/378505561.db2.gz ITKGTMBOYBJVTB-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000153761668 378509260 /nfs/dbraw/zinc/50/92/60/378509260.db2.gz MIYCNEFQDZQFIJ-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000330391780 378543530 /nfs/dbraw/zinc/54/35/30/378543530.db2.gz ABEBFTPPSSSVNQ-GXFFZTMASA-N 1 0 291.351 2.620 20 5 CFBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450356547 535451488 /nfs/dbraw/zinc/45/14/88/535451488.db2.gz WKONIFYRAQMQOS-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159149614 378689317 /nfs/dbraw/zinc/68/93/17/378689317.db2.gz UDVCDNDQGLCEJK-RYUDHWBXSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000331216750 378652376 /nfs/dbraw/zinc/65/23/76/378652376.db2.gz FFHCDNISRZBEIU-GFCCVEGCSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332246799 378740396 /nfs/dbraw/zinc/74/03/96/378740396.db2.gz QRDIZEPBZPTIEQ-DSRCVFDASA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000160542178 378780578 /nfs/dbraw/zinc/78/05/78/378780578.db2.gz ZIQNURYBQMPPSK-LBPRGKRZSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H]1C[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266261317 190244154 /nfs/dbraw/zinc/24/41/54/190244154.db2.gz PCPFWWUZZPQGQW-CMPLNLGQSA-N 1 0 281.331 2.653 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278605012 194065201 /nfs/dbraw/zinc/06/52/01/194065201.db2.gz GAPDMCIGPLZHTR-UWVGGRQHSA-N 1 0 276.340 2.995 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)cs1 ZINC000171708556 379379410 /nfs/dbraw/zinc/37/94/10/379379410.db2.gz SNLRHTXPFKAJHW-CYBMUJFWSA-N 1 0 295.408 2.717 20 5 CFBDRO C[C@H]1CSCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000172594274 379601491 /nfs/dbraw/zinc/60/14/91/379601491.db2.gz GZHOLGHSMHMDTO-NSHDSACASA-N 1 0 266.366 2.575 20 5 CFBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000267054442 190299753 /nfs/dbraw/zinc/29/97/53/190299753.db2.gz RJHVVYNAEOUNDW-UHFFFAOYSA-N 1 0 298.314 2.507 20 5 CFBDRO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267134345 190305966 /nfs/dbraw/zinc/30/59/66/190305966.db2.gz WILIRNHNXIKILE-CQSZACIVSA-N 1 0 295.408 2.752 20 5 CFBDRO Cc1ccnc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267232924 190313619 /nfs/dbraw/zinc/31/36/19/190313619.db2.gz FXAPMPJHZXUMQB-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000267295337 190319480 /nfs/dbraw/zinc/31/94/80/190319480.db2.gz SLFQXOXEVGHGSV-NWDGAFQWSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@@H]([NH2+]CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173402688 379733328 /nfs/dbraw/zinc/73/33/28/379733328.db2.gz WTJTUSGDHWCECG-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173423076 379736863 /nfs/dbraw/zinc/73/68/63/379736863.db2.gz VJMRCKHKMKROSY-BIBXISHDSA-N 1 0 298.408 2.793 20 5 CFBDRO COc1ccc(OCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000173483154 379742786 /nfs/dbraw/zinc/74/27/86/379742786.db2.gz VAIZZEXXBLUVGU-UHFFFAOYSA-N 1 0 294.351 2.857 20 5 CFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000174133200 379833459 /nfs/dbraw/zinc/83/34/59/379833459.db2.gz ZKRIRNMKALGVRI-MFKMUULPSA-N 1 0 284.381 2.950 20 5 CFBDRO CCC(CC)C[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176245327 380201331 /nfs/dbraw/zinc/20/13/31/380201331.db2.gz HVPBEPVZADWUMM-UHFFFAOYSA-N 1 0 268.361 2.549 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000268287626 190393322 /nfs/dbraw/zinc/39/33/22/190393322.db2.gz XXLHCCNQEXJYGS-ZDUSSCGKSA-N 1 0 292.383 2.688 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000452036792 383744820 /nfs/dbraw/zinc/74/48/20/383744820.db2.gz KCCBXXRFJCLYQB-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000572015054 383747068 /nfs/dbraw/zinc/74/70/68/383747068.db2.gz JKCMUTQHXLEYKM-HIFRSBDPSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178639781 380473859 /nfs/dbraw/zinc/47/38/59/380473859.db2.gz ILAMQVSFIQTFOQ-NSHDSACASA-N 1 0 299.330 2.545 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1cccc2nccn21 ZINC000179694393 380572533 /nfs/dbraw/zinc/57/25/33/380572533.db2.gz IVKDQRSIFIBTLT-UHFFFAOYSA-N 1 0 296.330 2.875 20 5 CFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000336806175 380663065 /nfs/dbraw/zinc/66/30/65/380663065.db2.gz JZEXEQRXRZAWTH-MISXGVKJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000336806269 380664798 /nfs/dbraw/zinc/66/47/98/380664798.db2.gz PDCAKQSROYSNDL-WDMOLILDSA-N 1 0 264.325 2.813 20 5 CFBDRO CCC[N@H+](CC)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000336813338 380674184 /nfs/dbraw/zinc/67/41/84/380674184.db2.gz UICHJEPOMRROBB-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000572034465 383748470 /nfs/dbraw/zinc/74/84/70/383748470.db2.gz UGCFMDFGECOQKB-CQSZACIVSA-N 1 0 283.331 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000400626229 380864951 /nfs/dbraw/zinc/86/49/51/380864951.db2.gz NPWSFCLAGLSLAA-GFCCVEGCSA-N 1 0 264.325 2.501 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353804511 380866140 /nfs/dbraw/zinc/86/61/40/380866140.db2.gz MWIZKKLLGNDBNN-UONOGXRCSA-N 1 0 291.395 2.818 20 5 CFBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347004008 380868704 /nfs/dbraw/zinc/86/87/04/380868704.db2.gz MLYOMGGKTWXDAG-CQSZACIVSA-N 1 0 291.395 2.760 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000295463060 380870995 /nfs/dbraw/zinc/87/09/95/380870995.db2.gz QZTUECSSQNXVOI-GIPNMCIBSA-N 1 0 298.770 2.946 20 5 CFBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347021812 380884900 /nfs/dbraw/zinc/88/49/00/380884900.db2.gz NSQXTCUCYJZSAS-NSHDSACASA-N 1 0 289.335 2.634 20 5 CFBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000341271572 380887425 /nfs/dbraw/zinc/88/74/25/380887425.db2.gz VNAOQVKDEQMRRK-ZFWWWQNUSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000341336170 380945141 /nfs/dbraw/zinc/94/51/41/380945141.db2.gz RZKGJFKNFCYHRP-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC000295692699 381019743 /nfs/dbraw/zinc/01/97/43/381019743.db2.gz OQYGAPKSBCPYSC-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000279293939 194371719 /nfs/dbraw/zinc/37/17/19/194371719.db2.gz LIFAYCFQNGNLPD-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000354059080 381052233 /nfs/dbraw/zinc/05/22/33/381052233.db2.gz OHSQICVNSBDSIH-VIHMKRCTSA-N 1 0 292.379 2.947 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182292540 381053743 /nfs/dbraw/zinc/05/37/43/381053743.db2.gz YMVOMCBOAFIDGR-CABCVRRESA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)CC2CCCC2)cs1 ZINC000341501799 381053666 /nfs/dbraw/zinc/05/36/66/381053666.db2.gz QCLCLCLXLKDYTM-GFCCVEGCSA-N 1 0 298.408 2.935 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411949007 381068684 /nfs/dbraw/zinc/06/86/84/381068684.db2.gz QEJOXYJAEJFJAN-IAGOWNOFSA-N 1 0 298.342 2.903 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000368484482 381040378 /nfs/dbraw/zinc/04/03/78/381040378.db2.gz YTJKNOSFQDLPKK-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CO)CC1 ZINC000347365010 381100649 /nfs/dbraw/zinc/10/06/49/381100649.db2.gz SEOUQXRXTZVJPY-UKTHLTGXSA-N 1 0 290.363 2.702 20 5 CFBDRO C[C@]1(F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347397573 381123107 /nfs/dbraw/zinc/12/31/07/381123107.db2.gz WLCYYTAYZPZMBX-ZDUSSCGKSA-N 1 0 252.289 2.571 20 5 CFBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077341 381146107 /nfs/dbraw/zinc/14/61/07/381146107.db2.gz JWKJJVNUZRBHRI-ZYHUDNBSSA-N 1 0 298.770 2.841 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182666496 381133383 /nfs/dbraw/zinc/13/33/83/381133383.db2.gz QENRXORLGOCCAA-SJORKVTESA-N 1 0 298.342 2.685 20 5 CFBDRO COc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347531870 381203774 /nfs/dbraw/zinc/20/37/74/381203774.db2.gz CJVBJRVOWQJTOU-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289895263 381208076 /nfs/dbraw/zinc/20/80/76/381208076.db2.gz WPPJECYWPLDAIM-WMADIVHISA-N 1 0 264.325 2.575 20 5 CFBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289903202 381212026 /nfs/dbraw/zinc/21/20/26/381212026.db2.gz NNNFOTJUUKLYPY-AWEZNQCLSA-N 1 0 286.335 2.547 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CCCOC1 ZINC000342291438 381251431 /nfs/dbraw/zinc/25/14/31/381251431.db2.gz FLRCEIXLBOMMSS-MDWZMJQESA-N 1 0 288.347 2.934 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000296125196 381267760 /nfs/dbraw/zinc/26/77/60/381267760.db2.gz WFNWULQTUOPSCM-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCSC2)c(F)c1 ZINC000342308669 381268367 /nfs/dbraw/zinc/26/83/67/381268367.db2.gz HSQXMCDBLALSRU-SNVBAGLBSA-N 1 0 284.356 2.967 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000369344131 381240267 /nfs/dbraw/zinc/24/02/67/381240267.db2.gz OCMBSKDTKVITAD-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000183423777 381270127 /nfs/dbraw/zinc/27/01/27/381270127.db2.gz XVWPKPNEULYXMK-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO CCOC(=O)CN(Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183293031 381250859 /nfs/dbraw/zinc/25/08/59/381250859.db2.gz BTSXCWPOHDHAIB-UHFFFAOYSA-N 1 0 294.351 2.677 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000347691932 381300284 /nfs/dbraw/zinc/30/02/84/381300284.db2.gz OMLXXQADDRKWGP-BETUJISGSA-N 1 0 277.368 2.509 20 5 CFBDRO CO[C@@H](C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354445139 381271304 /nfs/dbraw/zinc/27/13/04/381271304.db2.gz DFGROZYDPAJCIB-ZDUSSCGKSA-N 1 0 296.367 2.719 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000359111396 381272245 /nfs/dbraw/zinc/27/22/45/381272245.db2.gz BIWJECZQDQXIJB-MRVPVSSYSA-N 1 0 262.231 2.883 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359113256 381272984 /nfs/dbraw/zinc/27/29/84/381272984.db2.gz ZSDPCWMEYYYHOD-LBPRGKRZSA-N 1 0 280.372 2.749 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000290189011 381336571 /nfs/dbraw/zinc/33/65/71/381336571.db2.gz ODDGTSUNQWYQDR-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290201706 381339551 /nfs/dbraw/zinc/33/95/51/381339551.db2.gz PDBXFXBTFQKKLO-UTUOFQBUSA-N 1 0 266.341 2.977 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000290199099 381339662 /nfs/dbraw/zinc/33/96/62/381339662.db2.gz OYZKZRWHKAENDP-GXFFZTMASA-N 1 0 252.314 2.670 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183742240 381313388 /nfs/dbraw/zinc/31/33/88/381313388.db2.gz SJNZBBSAUJKOLK-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183742221 381313596 /nfs/dbraw/zinc/31/35/96/381313596.db2.gz SJNZBBSAUJKOLK-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000369901535 381349738 /nfs/dbraw/zinc/34/97/38/381349738.db2.gz GWCFMVIMIXRTGM-HUUCEWRRSA-N 1 0 290.363 2.762 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184234158 381390005 /nfs/dbraw/zinc/39/00/05/381390005.db2.gz KAZANAAQEAOCPV-SNVBAGLBSA-N 1 0 282.315 2.974 20 5 CFBDRO Cc1c(C[N@H+](C)CC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342604647 381429445 /nfs/dbraw/zinc/42/94/45/381429445.db2.gz NLPRTRBRMAEPHV-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000359616257 381510730 /nfs/dbraw/zinc/51/07/30/381510730.db2.gz BFINFCKTWFCVRA-VIFPVBQESA-N 1 0 294.277 2.502 20 5 CFBDRO CC(C)[N@H+](CCC[C@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354897045 381512371 /nfs/dbraw/zinc/51/23/71/381512371.db2.gz RBXYSXLCUXKILG-ZDUSSCGKSA-N 1 0 280.368 2.966 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H](F)C2)n1 ZINC000348331307 381512381 /nfs/dbraw/zinc/51/23/81/381512381.db2.gz VOPPKAIOTDFRGE-QNWHQSFQSA-N 1 0 296.346 2.755 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[C@H]3C3CC3)nc2c1 ZINC000348382617 381542947 /nfs/dbraw/zinc/54/29/47/381542947.db2.gz KZBOJDOLUITRKB-RYUDHWBXSA-N 1 0 286.335 2.749 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000185185005 381557330 /nfs/dbraw/zinc/55/73/30/381557330.db2.gz BCNLZFVQUHKYQE-UHFFFAOYSA-N 1 0 295.314 2.547 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332751 381594052 /nfs/dbraw/zinc/59/40/52/381594052.db2.gz RKLQAIKHWKZKHC-CABCVRRESA-N 1 0 290.363 2.762 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000185360545 381610547 /nfs/dbraw/zinc/61/05/47/381610547.db2.gz YXJASWSCUMVKQQ-AWEZNQCLSA-N 1 0 280.368 2.742 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCC2CC2)CC1 ZINC000359827334 381628341 /nfs/dbraw/zinc/62/83/41/381628341.db2.gz BWKIPEOVONMWEW-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000371824197 381708451 /nfs/dbraw/zinc/70/84/51/381708451.db2.gz JTHJZIQVNJZSJD-OAHLLOKOSA-N 1 0 290.367 2.651 20 5 CFBDRO CO[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000343440799 381712191 /nfs/dbraw/zinc/71/21/91/381712191.db2.gz JJEQBNOEEFYVQL-TZDXQJPWSA-N 1 0 290.363 2.965 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343442690 381712872 /nfs/dbraw/zinc/71/28/72/381712872.db2.gz MILMKJBLWLOLLP-KCJUWKMLSA-N 1 0 284.747 2.538 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCOC1 ZINC000298581402 381679836 /nfs/dbraw/zinc/67/98/36/381679836.db2.gz VGXLLLUBTRHHQA-VXGBXAGGSA-N 1 0 264.325 2.624 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000371824196 381707916 /nfs/dbraw/zinc/70/79/16/381707916.db2.gz JTHJZIQVNJZSJD-HNNXBMFYSA-N 1 0 290.367 2.651 20 5 CFBDRO CCOc1cc(C[N@H+](CC)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000291352794 381757827 /nfs/dbraw/zinc/75/78/27/381757827.db2.gz YAGMYLXGHDXMAE-LBPRGKRZSA-N 1 0 296.367 2.850 20 5 CFBDRO CN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360011686 381726395 /nfs/dbraw/zinc/72/63/95/381726395.db2.gz XGBAKKOJVNNOCZ-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271854 381782545 /nfs/dbraw/zinc/78/25/45/381782545.db2.gz DWYRRWRUIDXUAL-CHWSQXEVSA-N 1 0 280.372 2.864 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292116391 381790744 /nfs/dbraw/zinc/79/07/44/381790744.db2.gz JQNRKQKADOMMCQ-BBRMVZONSA-N 1 0 289.379 2.683 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000299007358 381796882 /nfs/dbraw/zinc/79/68/82/381796882.db2.gz CFTHUIPTCDCZFK-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343616689 381845253 /nfs/dbraw/zinc/84/52/53/381845253.db2.gz ZNCPDKOHBQUTKK-JOYOIKCWSA-N 1 0 267.304 2.629 20 5 CFBDRO COc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000343609329 381838251 /nfs/dbraw/zinc/83/82/51/381838251.db2.gz RSBDYFYEIKLGMW-ONGXEEELSA-N 1 0 297.330 2.637 20 5 CFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415493954 381848825 /nfs/dbraw/zinc/84/88/25/381848825.db2.gz DLGMQYOFVHODQU-NSHDSACASA-N 1 0 294.355 2.542 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186506401 381929833 /nfs/dbraw/zinc/92/98/33/381929833.db2.gz BPILWDSMYKPHAG-DRHCNIFCSA-N 1 0 278.352 2.881 20 5 CFBDRO CCCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349422353 381930449 /nfs/dbraw/zinc/93/04/49/381930449.db2.gz VDGHTEQEBKHKGD-UHFFFAOYSA-N 1 0 279.384 2.759 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349387336 381922681 /nfs/dbraw/zinc/92/26/81/381922681.db2.gz UYHYCQHQJSUVNH-UHFFFAOYSA-N 1 0 291.395 2.903 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293030655 381959167 /nfs/dbraw/zinc/95/91/67/381959167.db2.gz ABBGCCNDYQBCEE-QMTHXVAHSA-N 1 0 264.325 2.670 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293035182 381961434 /nfs/dbraw/zinc/96/14/34/381961434.db2.gz RWJNGGDFJSNXCY-INIZCTEOSA-N 1 0 289.379 2.513 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373286630 381969773 /nfs/dbraw/zinc/96/97/73/381969773.db2.gz GMIYUAXYAUCZIX-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CO[C@@H](C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354368373 274055937 /nfs/dbraw/zinc/05/59/37/274055937.db2.gz OFIBGDKZIBCYKU-ZDUSSCGKSA-N 1 0 280.368 2.883 20 5 CFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292982410 381933802 /nfs/dbraw/zinc/93/38/02/381933802.db2.gz LIFVMWCWMHBKDT-QMTHXVAHSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)O ZINC000292992035 381939358 /nfs/dbraw/zinc/93/93/58/381939358.db2.gz MIZLGCILLCBHQZ-GFCCVEGCSA-N 1 0 286.759 2.887 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000349467129 381941311 /nfs/dbraw/zinc/94/13/11/381941311.db2.gz WWYOATVZEIGVJA-CQSZACIVSA-N 1 0 288.351 2.612 20 5 CFBDRO CC(C)(CO)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293143040 382006401 /nfs/dbraw/zinc/00/64/01/382006401.db2.gz SYJGCIWPAYMMOB-HNNXBMFYSA-N 1 0 292.379 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[N@H+](C)C1CC1 ZINC000186785065 382013115 /nfs/dbraw/zinc/01/31/15/382013115.db2.gz ZQXKRRQRBIUAIC-CYBMUJFWSA-N 1 0 291.395 2.990 20 5 CFBDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357030523 381975725 /nfs/dbraw/zinc/97/57/25/381975725.db2.gz DWUKICUUTZWVSQ-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000343914705 382016786 /nfs/dbraw/zinc/01/67/86/382016786.db2.gz ODVPWZQNRVODAG-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293106481 381992565 /nfs/dbraw/zinc/99/25/65/381992565.db2.gz LKNBMXNNRFBXFW-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC23CC3)n1 ZINC000417342677 382046117 /nfs/dbraw/zinc/04/61/17/382046117.db2.gz SKLPBBBQZOJWGF-FRRDWIJNSA-N 1 0 290.367 2.665 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417340294 382046398 /nfs/dbraw/zinc/04/63/98/382046398.db2.gz JQBGAMUOTVSGNC-SWLSCSKDSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCOC1)CCCC2 ZINC000417347891 382047776 /nfs/dbraw/zinc/04/77/76/382047776.db2.gz XRDFZYAWCXWDCS-LRDDRELGSA-N 1 0 290.363 2.988 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417355579 382053463 /nfs/dbraw/zinc/05/34/63/382053463.db2.gz ODVLSSFRSLNFCQ-AEGPPILISA-N 1 0 278.352 2.939 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000343940275 382029414 /nfs/dbraw/zinc/02/94/14/382029414.db2.gz FJNHIFQCHOQBSA-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000301256886 382124958 /nfs/dbraw/zinc/12/49/58/382124958.db2.gz NUUDANYPHFGASW-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)CC1 ZINC000293309745 382073001 /nfs/dbraw/zinc/07/30/01/382073001.db2.gz WZRWVJGAZHICLF-NEPJUHHUSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[N@@H+]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344217845 382205773 /nfs/dbraw/zinc/20/57/73/382205773.db2.gz NKJPEMOXCLYJEV-CYBMUJFWSA-N 1 0 277.368 2.683 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187544907 382207628 /nfs/dbraw/zinc/20/76/28/382207628.db2.gz MUNJYCWFEUOQQP-OAHLLOKOSA-N 1 0 278.352 2.579 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352177415 382208822 /nfs/dbraw/zinc/20/88/22/382208822.db2.gz BKSOCGCWPOOHHF-CYBMUJFWSA-N 1 0 295.314 2.547 20 5 CFBDRO C[C@@H](C[NH+]1CCCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000187566433 382210633 /nfs/dbraw/zinc/21/06/33/382210633.db2.gz WSLGJLUZKIRSQQ-AWEZNQCLSA-N 1 0 291.395 2.949 20 5 CFBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000302218972 382217280 /nfs/dbraw/zinc/21/72/80/382217280.db2.gz LKKAMJIGPZQHLN-UHFFFAOYSA-N 1 0 269.320 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H](CO)C2)c(Cl)c1 ZINC000376878266 382186677 /nfs/dbraw/zinc/18/66/77/382186677.db2.gz SWHNUZJJPZRCHW-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000302788633 382319659 /nfs/dbraw/zinc/31/96/59/382319659.db2.gz XOXINGPGKOVGOY-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000302822266 382326666 /nfs/dbraw/zinc/32/66/66/382326666.db2.gz SDGLHAVPXDQQOO-YPMHNXCESA-N 1 0 293.342 2.654 20 5 CFBDRO [NH3+][C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420129740 382331553 /nfs/dbraw/zinc/33/15/53/382331553.db2.gz XGRIWGOONNLPAD-MRVPVSSYSA-N 1 0 290.150 2.829 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364618593 382339251 /nfs/dbraw/zinc/33/92/51/382339251.db2.gz DAXGUTROPDLCIF-NWANDNLSSA-N 1 0 290.363 2.840 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420290600 382343218 /nfs/dbraw/zinc/34/32/18/382343218.db2.gz UQQISDPVBPKSRU-IUCAKERBSA-N 1 0 285.294 2.802 20 5 CFBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000304019554 382369693 /nfs/dbraw/zinc/36/96/93/382369693.db2.gz DCTJHKXSNYWDKS-SKDRFNHKSA-N 1 0 272.370 2.543 20 5 CFBDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293996193 382371817 /nfs/dbraw/zinc/37/18/17/382371817.db2.gz CJCSVGHWXUJJFI-JTQLQIEISA-N 1 0 275.308 2.929 20 5 CFBDRO Cc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352534612 382382446 /nfs/dbraw/zinc/38/24/46/382382446.db2.gz ILHIYENEBFMONU-AWEZNQCLSA-N 1 0 277.368 2.607 20 5 CFBDRO CO[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000188295964 382386101 /nfs/dbraw/zinc/38/61/01/382386101.db2.gz UXKFPZITMQILRS-SWLSCSKDSA-N 1 0 278.352 2.760 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352545813 382389849 /nfs/dbraw/zinc/38/98/49/382389849.db2.gz MADUMYKOWQFAMW-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO [NH3+]C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000420378142 382395164 /nfs/dbraw/zinc/39/51/64/382395164.db2.gz WUPHTCMDHXEBOW-CQSZACIVSA-N 1 0 295.358 2.731 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188114684 382347726 /nfs/dbraw/zinc/34/77/26/382347726.db2.gz ZUNGKXGGRCORDD-GZBFAFLISA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000305144960 382428284 /nfs/dbraw/zinc/42/82/84/382428284.db2.gz RKNVQYFPLDKRBE-XJKSGUPXSA-N 1 0 294.395 2.913 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304451885 382410783 /nfs/dbraw/zinc/41/07/83/382410783.db2.gz OMZUQZXSLICRQQ-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358187553 382494928 /nfs/dbraw/zinc/49/49/28/382494928.db2.gz KAIPFEOORJLDJB-STQMWFEESA-N 1 0 296.367 2.605 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308400431 382474732 /nfs/dbraw/zinc/47/47/32/382474732.db2.gz WDRJWKCEIXTSLI-KBPBESRZSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@@H](O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353145046 382496489 /nfs/dbraw/zinc/49/64/89/382496489.db2.gz LEJZFNIDNBNGFM-RYWCDNDXSA-N 1 0 290.363 2.701 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000314110902 382525196 /nfs/dbraw/zinc/52/51/96/382525196.db2.gz IEBIQBORZFYVJT-OAHLLOKOSA-N 1 0 294.351 2.508 20 5 CFBDRO CCC[NH+]1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562647 184540710 /nfs/dbraw/zinc/54/07/10/184540710.db2.gz ZLCZHFRKMSMLGK-UHFFFAOYSA-N 1 0 283.397 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378895693 382504469 /nfs/dbraw/zinc/50/44/69/382504469.db2.gz URFKOGIKSFZZAE-VHDGCEQUSA-N 1 0 260.337 2.916 20 5 CFBDRO CCC[C@@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346850298 382544681 /nfs/dbraw/zinc/54/46/81/382544681.db2.gz PXOFSQZFUTZOLE-GTBONMDNSA-N 1 0 289.379 2.682 20 5 CFBDRO CC(C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353450605 382546421 /nfs/dbraw/zinc/54/64/21/382546421.db2.gz UQSFMWBGBOEPGP-AWEZNQCLSA-N 1 0 288.351 2.663 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000366816928 382551459 /nfs/dbraw/zinc/55/14/59/382551459.db2.gz BXWUUPQWWVNIOI-LBPRGKRZSA-N 1 0 281.331 2.654 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000358301774 382556914 /nfs/dbraw/zinc/55/69/14/382556914.db2.gz HGMXMGKKTKJUGG-JTQLQIEISA-N 1 0 299.396 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189183561 382561999 /nfs/dbraw/zinc/56/19/99/382561999.db2.gz FMCZACDRIJXASL-INIZCTEOSA-N 1 0 290.363 2.986 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000388376028 382605962 /nfs/dbraw/zinc/60/59/62/382605962.db2.gz ZKJMXGBDXPVAOZ-BMIGLBTASA-N 1 0 294.351 2.507 20 5 CFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000353622602 382583165 /nfs/dbraw/zinc/58/31/65/382583165.db2.gz OLIFVWOUPOVVCF-LBPRGKRZSA-N 1 0 288.351 2.991 20 5 CFBDRO Cc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1[N+](=O)[O-] ZINC000189943645 382646523 /nfs/dbraw/zinc/64/65/23/382646523.db2.gz FLFHIQJQVCJBQA-UHFFFAOYSA-N 1 0 278.352 2.639 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000190300864 382661459 /nfs/dbraw/zinc/66/14/59/382661459.db2.gz ZXEQGEUYOLSVRN-NSHDSACASA-N 1 0 292.364 2.766 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000190342389 382662962 /nfs/dbraw/zinc/66/29/62/382662962.db2.gz CUULCRBGXPFIST-UMVBOHGHSA-N 1 0 276.336 2.560 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194079248 382734837 /nfs/dbraw/zinc/73/48/37/382734837.db2.gz GDGGYPVASCJPHJ-UHFFFAOYSA-N 1 0 279.296 2.735 20 5 CFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191651895 382701680 /nfs/dbraw/zinc/70/16/80/382701680.db2.gz DODCKIAIKRUMLW-MRXNPFEDSA-N 1 0 292.379 2.968 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191751495 382702223 /nfs/dbraw/zinc/70/22/23/382702223.db2.gz DSBDMMIJLADQGJ-ZANVPECISA-N 1 0 284.743 2.763 20 5 CFBDRO COCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192678309 382711202 /nfs/dbraw/zinc/71/12/02/382711202.db2.gz CVEXMGNGINIOPC-OAHLLOKOSA-N 1 0 278.352 2.988 20 5 CFBDRO CCC[C@@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193281403 382718006 /nfs/dbraw/zinc/71/80/06/382718006.db2.gz YXULSOHZYFMCGY-CQSZACIVSA-N 1 0 266.341 2.798 20 5 CFBDRO C=Cn1cc(CN(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000193701631 382722914 /nfs/dbraw/zinc/72/29/14/382722914.db2.gz UROJMRMOQJCUJW-UHFFFAOYSA-N 1 0 272.308 2.524 20 5 CFBDRO CCOCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336829743 382725983 /nfs/dbraw/zinc/72/59/83/382725983.db2.gz AUVYDNKJEUSPPJ-UHFFFAOYSA-N 1 0 284.331 2.886 20 5 CFBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000191047794 382689213 /nfs/dbraw/zinc/68/92/13/382689213.db2.gz FGLWJOBLGRLOFW-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000222470374 382802013 /nfs/dbraw/zinc/80/20/13/382802013.db2.gz VZXGWMZQJKLSRD-ZJUUUORDSA-N 1 0 260.297 2.730 20 5 CFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000224107827 382809492 /nfs/dbraw/zinc/80/94/92/382809492.db2.gz PMOXNMHMOQZGBW-LLVKDONJSA-N 1 0 288.351 2.796 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000224385282 382810739 /nfs/dbraw/zinc/81/07/39/382810739.db2.gz UFRJORRPWJVMCM-MNOVXSKESA-N 1 0 266.366 2.999 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000226249780 382825612 /nfs/dbraw/zinc/82/56/12/382825612.db2.gz VIUORROIZCXIJO-CYBMUJFWSA-N 1 0 286.759 2.889 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577217528 382851753 /nfs/dbraw/zinc/85/17/53/382851753.db2.gz IIUHJRWCKGTADE-UHFFFAOYSA-N 1 0 292.383 2.669 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCOCC1 ZINC000577231472 382852846 /nfs/dbraw/zinc/85/28/46/382852846.db2.gz LJVRQAHPNNENDO-RISCZKNCSA-N 1 0 276.336 2.741 20 5 CFBDRO CC[N@H+](CCNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000227550962 382838112 /nfs/dbraw/zinc/83/81/12/382838112.db2.gz XJRPUOFNNGJAPN-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO CC[C@@H]([NH2+]CCC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228028238 382843965 /nfs/dbraw/zinc/84/39/65/382843965.db2.gz BMBCFCFDGDZGON-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@H]2C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228147480 382845223 /nfs/dbraw/zinc/84/52/23/382845223.db2.gz NKPSWBHZLNIQLP-FZMZJTMJSA-N 1 0 278.352 2.639 20 5 CFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681671 382854746 /nfs/dbraw/zinc/85/47/46/382854746.db2.gz IBBSYKXXTRCZGE-CMPLNLGQSA-N 1 0 291.351 2.572 20 5 CFBDRO C[N@@H+]1CC[C@@H](CSc2cccc([N+](=O)[O-])c2)C1 ZINC000337737718 382860085 /nfs/dbraw/zinc/86/00/85/382860085.db2.gz BIONNEPASYVJDV-SNVBAGLBSA-N 1 0 252.339 2.639 20 5 CFBDRO C[C@H]([NH2+]CCOCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000230417078 382860766 /nfs/dbraw/zinc/86/07/66/382860766.db2.gz NUINBXSOLSTYJY-VIFPVBQESA-N 1 0 274.267 2.527 20 5 CFBDRO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000230379778 382861003 /nfs/dbraw/zinc/86/10/03/382861003.db2.gz VWDVSDNLCCGFAT-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230689888 382862151 /nfs/dbraw/zinc/86/21/51/382862151.db2.gz LUIJRHSWQWQNEB-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000230911235 382863338 /nfs/dbraw/zinc/86/33/38/382863338.db2.gz DYHJQBOSHGCJSQ-RKDXNWHRSA-N 1 0 284.747 2.538 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCCO)CCC2 ZINC000280193781 194743556 /nfs/dbraw/zinc/74/35/56/194743556.db2.gz VAHHPBYNASDYKW-OAHLLOKOSA-N 1 0 278.352 2.724 20 5 CFBDRO COc1cccc(NC[C@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000234986657 382875740 /nfs/dbraw/zinc/87/57/40/382875740.db2.gz OVBOBAADGFNWGW-CYBMUJFWSA-N 1 0 293.367 2.794 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578026573 382884688 /nfs/dbraw/zinc/88/46/88/382884688.db2.gz YFGUXBIWEJDZBS-SGIREYDYSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578026572 382884960 /nfs/dbraw/zinc/88/49/60/382884960.db2.gz YFGUXBIWEJDZBS-PJODQICGSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237392730 382958433 /nfs/dbraw/zinc/95/84/33/382958433.db2.gz MSESVOULNFDIJZ-SNVBAGLBSA-N 1 0 292.360 2.794 20 5 CFBDRO CC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000421887370 382961370 /nfs/dbraw/zinc/96/13/70/382961370.db2.gz SRGHNSIWSWOLLP-AVGNSLFASA-N 1 0 280.372 2.911 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441632784 382921568 /nfs/dbraw/zinc/92/15/68/382921568.db2.gz GDTYAWZIRBPKSL-VXGBXAGGSA-N 1 0 294.326 2.592 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC=CCC2)n1 ZINC000447573920 382997659 /nfs/dbraw/zinc/99/76/59/382997659.db2.gz JPEGNCDBMMBGSK-HZSPNIEDSA-N 1 0 290.367 2.973 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245405358 382999133 /nfs/dbraw/zinc/99/91/33/382999133.db2.gz SNKZXRDNIJAICU-NWDGAFQWSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCO1 ZINC000245394497 382999428 /nfs/dbraw/zinc/99/94/28/382999428.db2.gz FSGRXURXMOBMDD-SMDDNHRTSA-N 1 0 264.325 2.767 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000447801427 383008562 /nfs/dbraw/zinc/00/85/62/383008562.db2.gz CERCIRMXPFOECL-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO [NH3+][C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017759 383014324 /nfs/dbraw/zinc/01/43/24/383014324.db2.gz XAVCHFYMDYZJRM-IRXDYDNUSA-N 1 0 297.358 2.872 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000237791236 382971334 /nfs/dbraw/zinc/97/13/34/382971334.db2.gz SFRUYTMEKVSPHD-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000448362729 383058227 /nfs/dbraw/zinc/05/82/27/383058227.db2.gz OWFPCQRJOLADDU-BLMSOEDDSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423375527 383071469 /nfs/dbraw/zinc/07/14/69/383071469.db2.gz KRMZJZWKCGFKOB-MBNYWOFBSA-N 1 0 277.368 2.694 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000245685653 383021483 /nfs/dbraw/zinc/02/14/83/383021483.db2.gz AGBXNFNDTCRBDJ-MNOVXSKESA-N 1 0 294.351 2.842 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000339029496 383125178 /nfs/dbraw/zinc/12/51/78/383125178.db2.gz OGFDNDRGTRBJFK-CYBMUJFWSA-N 1 0 292.383 2.914 20 5 CFBDRO CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000338992802 383110306 /nfs/dbraw/zinc/11/03/06/383110306.db2.gz OLPCDCFDCGVSAE-UHFFFAOYSA-N 1 0 250.298 2.532 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000339002398 383114950 /nfs/dbraw/zinc/11/49/50/383114950.db2.gz JLDKSDQZSWPPNC-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000449171907 383182445 /nfs/dbraw/zinc/18/24/45/383182445.db2.gz LEPMDNGRTWTEBN-VNHYZAJKSA-N 1 0 291.395 2.598 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000566572384 383189792 /nfs/dbraw/zinc/18/97/92/383189792.db2.gz SGDMDJJWRGIBLL-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566630355 383195456 /nfs/dbraw/zinc/19/54/56/383195456.db2.gz JRMLCDFVSRPRFN-ZFWWWQNUSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc[nH]c(=O)c1 ZINC000339453340 383203046 /nfs/dbraw/zinc/20/30/46/383203046.db2.gz GQCDWMDMQLDJHB-VIFPVBQESA-N 1 0 291.282 2.685 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000247152359 383147582 /nfs/dbraw/zinc/14/75/82/383147582.db2.gz XCOLLKDOWXBVNM-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449067478 383158630 /nfs/dbraw/zinc/15/86/30/383158630.db2.gz LTIJJIAHLXMYLP-LBPRGKRZSA-N 1 0 266.341 2.542 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247380221 383168876 /nfs/dbraw/zinc/16/88/76/383168876.db2.gz PSNHZTAIRSLENQ-IUODEOHRSA-N 1 0 276.336 2.768 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000248699909 383281172 /nfs/dbraw/zinc/28/11/72/383281172.db2.gz ZLBCVSQUYAHCIR-JSGCOSHPSA-N 1 0 278.352 2.639 20 5 CFBDRO COC[C@]1(C)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449394976 383260722 /nfs/dbraw/zinc/26/07/22/383260722.db2.gz OVRKHBXJCCXGJA-GMNBZTITSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449409752 383273832 /nfs/dbraw/zinc/27/38/32/383273832.db2.gz VWLKLZLTWRXZIB-OLZOCXBDSA-N 1 0 280.368 2.524 20 5 CFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449419093 383278840 /nfs/dbraw/zinc/27/88/40/383278840.db2.gz GVIUQDZZKQULHS-JFOCPDPESA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248186214 383217820 /nfs/dbraw/zinc/21/78/20/383217820.db2.gz XJZHIDHIBZAIHG-JLLWLGSASA-N 1 0 266.341 2.571 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449332810 383222426 /nfs/dbraw/zinc/22/24/26/383222426.db2.gz DXIDNOZFUZHZAD-WCQYABFASA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248340459 383225042 /nfs/dbraw/zinc/22/50/42/383225042.db2.gz IOQPZPPMZSYDFQ-GRYCIOLGSA-N 1 0 291.351 2.652 20 5 CFBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000248413867 383239068 /nfs/dbraw/zinc/23/90/68/383239068.db2.gz LTBMFKNLKWZKML-INIZCTEOSA-N 1 0 291.395 2.675 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCc1ccncc1)C2 ZINC000519853541 383243298 /nfs/dbraw/zinc/24/32/98/383243298.db2.gz IULVHECERDTFSD-UHFFFAOYSA-N 1 0 297.358 2.981 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449491949 383330255 /nfs/dbraw/zinc/33/02/55/383330255.db2.gz ICPPZQMVMTTZMZ-IUODEOHRSA-N 1 0 278.352 2.842 20 5 CFBDRO CO[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000249161750 383333007 /nfs/dbraw/zinc/33/30/07/383333007.db2.gz JJEQBNOEEFYVQL-PPDNHJNESA-N 1 0 290.363 2.965 20 5 CFBDRO CO[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000249226154 383334816 /nfs/dbraw/zinc/33/48/16/383334816.db2.gz UXKFPZITMQILRS-WFASDCNBSA-N 1 0 278.352 2.760 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249528896 383349920 /nfs/dbraw/zinc/34/99/20/383349920.db2.gz AKVVSZADBMINIP-YUTCNCBUSA-N 1 0 296.754 2.905 20 5 CFBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339797151 383322558 /nfs/dbraw/zinc/32/25/58/383322558.db2.gz HBUQYSPUKMXWNF-VLWUPBBWSA-N 1 0 272.308 2.682 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449483746 383323590 /nfs/dbraw/zinc/32/35/90/383323590.db2.gz KFENPBZNGWQVNY-MNOVXSKESA-N 1 0 294.351 2.748 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000249069175 383324145 /nfs/dbraw/zinc/32/41/45/383324145.db2.gz KQDLEPQEQQLXAH-UMVBOHGHSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1c(C[N@@H+]2CCCC[C@H]2C2(O)CC2)cccc1[N+](=O)[O-] ZINC000568363837 383394405 /nfs/dbraw/zinc/39/44/05/383394405.db2.gz OMLIHLIOWDJRJU-HNNXBMFYSA-N 1 0 290.363 2.783 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340311838 383412406 /nfs/dbraw/zinc/41/24/06/383412406.db2.gz HFSORQRFDNUAEK-NSHDSACASA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@]1(C)CCCO1 ZINC000340312752 383413237 /nfs/dbraw/zinc/41/32/37/383413237.db2.gz NODLWOXBQPMHIH-SWLSCSKDSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468632291 383361890 /nfs/dbraw/zinc/36/18/90/383361890.db2.gz SJYNZXOPFCLRAU-KXWHGCDGSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000468620799 383361971 /nfs/dbraw/zinc/36/19/71/383361971.db2.gz UNYMJPXOXOXEIL-KZPJAHENSA-N 1 0 290.363 2.891 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000524619685 383376941 /nfs/dbraw/zinc/37/69/41/383376941.db2.gz DCWGEOYAMKSWQB-RYUDHWBXSA-N 1 0 264.325 2.704 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251036962 383384601 /nfs/dbraw/zinc/38/46/01/383384601.db2.gz IMZMRMJAPNNUHV-STQMWFEESA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253086882 383441599 /nfs/dbraw/zinc/44/15/99/383441599.db2.gz CNMHQLKRCVFVQS-FVQBIDKESA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn[nH]c1)CCC2 ZINC000289897497 197522918 /nfs/dbraw/zinc/52/29/18/197522918.db2.gz TUCLBKCNARAGFR-HNNXBMFYSA-N 1 0 286.335 2.528 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000483437273 383449784 /nfs/dbraw/zinc/44/97/84/383449784.db2.gz FWCQJPQFRUHSOI-IDKOKKFVSA-N 1 0 290.363 2.558 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000487109402 383476754 /nfs/dbraw/zinc/47/67/54/383476754.db2.gz LZQOQDBHALVKKV-HNNXBMFYSA-N 1 0 277.368 2.680 20 5 CFBDRO CC(C)[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488011660 383487906 /nfs/dbraw/zinc/48/79/06/383487906.db2.gz RVKJYQQLGYTOOK-BBRMVZONSA-N 1 0 291.395 2.928 20 5 CFBDRO COc1cc(C[N@@H+]2CCSC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488253019 383509994 /nfs/dbraw/zinc/50/99/94/383509994.db2.gz OWQJWLRWQCREHC-LLVKDONJSA-N 1 0 296.392 2.788 20 5 CFBDRO [NH3+]CCN(CCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000261741826 383551008 /nfs/dbraw/zinc/55/10/08/383551008.db2.gz KSZHTOXJKRVJLF-UHFFFAOYSA-N 1 0 299.374 2.598 20 5 CFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261616001 383529031 /nfs/dbraw/zinc/52/90/31/383529031.db2.gz FSNVDHKQRWRNAJ-AWEZNQCLSA-N 1 0 291.351 2.831 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000341136658 383579307 /nfs/dbraw/zinc/57/93/07/383579307.db2.gz IPFYZHIOJILRHZ-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000570463317 383605591 /nfs/dbraw/zinc/60/55/91/383605591.db2.gz YCGWHLWRVXJZTJ-HIFRSBDPSA-N 1 0 278.352 2.843 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488596134 383565159 /nfs/dbraw/zinc/56/51/59/383565159.db2.gz YJWOPUKCCVHZHB-INIZCTEOSA-N 1 0 291.395 2.675 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000450953013 383565937 /nfs/dbraw/zinc/56/59/37/383565937.db2.gz WIMMEUMQCPCTKY-LBPRGKRZSA-N 1 0 281.331 2.653 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000570088989 383569412 /nfs/dbraw/zinc/56/94/12/383569412.db2.gz RMOYHBAQGXXZDM-UHFFFAOYSA-N 1 0 299.758 2.917 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+](C)C)CC1 ZINC000489821408 383638343 /nfs/dbraw/zinc/63/83/43/383638343.db2.gz RAWAEQSVEOPRMK-GFCCVEGCSA-N 1 0 277.368 2.682 20 5 CFBDRO COc1ccc(OCC[N@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489415087 383616829 /nfs/dbraw/zinc/61/68/29/383616829.db2.gz PTFFPGUIEBGZIP-AWEZNQCLSA-N 1 0 294.351 2.713 20 5 CFBDRO CC1=CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000436258772 383793194 /nfs/dbraw/zinc/79/31/94/383793194.db2.gz ILRYLWWFJFYMMO-UHFFFAOYSA-N 1 0 262.309 2.626 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453633643 383893035 /nfs/dbraw/zinc/89/30/35/383893035.db2.gz RPBOQUTVXNJHLI-BJJXKVORSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000438354533 383990373 /nfs/dbraw/zinc/99/03/73/383990373.db2.gz GJVAFKOTOAOXIE-GRYCIOLGSA-N 1 0 264.325 2.593 20 5 CFBDRO CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983862 383952999 /nfs/dbraw/zinc/95/29/99/383952999.db2.gz CQLYRTRIRNTEKL-CZUORRHYSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983672 383954752 /nfs/dbraw/zinc/95/47/52/383954752.db2.gz SMVJGUWVZZKOPH-QWHCGFSZSA-N 1 0 277.368 2.587 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000574464862 384100451 /nfs/dbraw/zinc/10/04/51/384100451.db2.gz WBJPZSFVCPTWIZ-GHMZBOCLSA-N 1 0 291.351 2.641 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000266202854 384113633 /nfs/dbraw/zinc/11/36/33/384113633.db2.gz JWRIEGJMDBRKDC-LBPRGKRZSA-N 1 0 281.331 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000355141880 285113096 /nfs/dbraw/zinc/11/30/96/285113096.db2.gz YSRRSTIFYQPXCK-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000289382647 197321528 /nfs/dbraw/zinc/32/15/28/197321528.db2.gz CTDHRPDOKZBXRR-JXMROGBWSA-N 1 0 291.395 2.882 20 5 CFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000268439681 384620818 /nfs/dbraw/zinc/62/08/18/384620818.db2.gz TYZKDSAQURDWNF-UHFFFAOYSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268855241 384677995 /nfs/dbraw/zinc/67/79/95/384677995.db2.gz QQLVHAKQRLUKHA-ZDUSSCGKSA-N 1 0 286.335 2.794 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000268868322 384682659 /nfs/dbraw/zinc/68/26/59/384682659.db2.gz GYMQBOHDUQHJDC-AVGNSLFASA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)c(F)c1 ZINC000175006167 285132045 /nfs/dbraw/zinc/13/20/45/285132045.db2.gz BJCZNEILWXYZNE-UHFFFAOYSA-N 1 0 259.240 2.823 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000279781752 384758874 /nfs/dbraw/zinc/75/88/74/384758874.db2.gz LMMVKFZOJVYRPK-AWEZNQCLSA-N 1 0 278.352 2.544 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000269630500 384810639 /nfs/dbraw/zinc/81/06/39/384810639.db2.gz FKKPUFBGRVOLMX-ZDUSSCGKSA-N 1 0 266.341 2.606 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1=CCCOC1)CCC2 ZINC000287108858 285144343 /nfs/dbraw/zinc/14/43/43/285144343.db2.gz QMPKWDUBKDDZJN-MRXNPFEDSA-N 1 0 288.347 2.909 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000270196949 385012164 /nfs/dbraw/zinc/01/21/64/385012164.db2.gz LOKUYTQINNXCOV-QMMMGPOBSA-N 1 0 280.715 2.822 20 5 CFBDRO CCC(CC)(CCO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000282410301 385304096 /nfs/dbraw/zinc/30/40/96/385304096.db2.gz IMDZHEHLHNYJPD-UHFFFAOYSA-N 1 0 296.367 2.504 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000342068646 285160075 /nfs/dbraw/zinc/16/00/75/285160075.db2.gz TYGVDOUZQGJVTQ-CQSZACIVSA-N 1 0 278.352 2.722 20 5 CFBDRO CC[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000270986389 385291711 /nfs/dbraw/zinc/29/17/11/385291711.db2.gz FUGRXNOASGRXNN-UHFFFAOYSA-N 1 0 290.319 2.669 20 5 CFBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282402327 385301623 /nfs/dbraw/zinc/30/16/23/385301623.db2.gz FJNQKDGMZKIMHL-GFCCVEGCSA-N 1 0 284.331 2.573 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000282519618 385333137 /nfs/dbraw/zinc/33/31/37/385333137.db2.gz SZDRDFZBAYKUMR-UHFFFAOYSA-N 1 0 280.368 2.934 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000271122872 385343055 /nfs/dbraw/zinc/34/30/55/385343055.db2.gz JTUVFJXTHCUCKV-NEPJUHHUSA-N 1 0 295.383 2.594 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000271156503 385354909 /nfs/dbraw/zinc/35/49/09/385354909.db2.gz RGIFZFDCGNNNID-NWDGAFQWSA-N 1 0 294.351 2.681 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC1(C)C ZINC000272007585 385423893 /nfs/dbraw/zinc/42/38/93/385423893.db2.gz FMJNLERLICTMQD-GXFFZTMASA-N 1 0 291.351 2.700 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCSC1 ZINC000282819805 385394684 /nfs/dbraw/zinc/39/46/84/385394684.db2.gz AQRACFIUHHFFAZ-ZDUSSCGKSA-N 1 0 280.393 2.822 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301342892 285164619 /nfs/dbraw/zinc/16/46/19/285164619.db2.gz IPYQCHOKRZZBNW-MELADBBJSA-N 1 0 287.363 2.515 20 5 CFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000283268272 385451060 /nfs/dbraw/zinc/45/10/60/385451060.db2.gz WMCITOCQFIPKOO-PWSUYJOCSA-N 1 0 282.315 2.733 20 5 CFBDRO COCC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272116669 385451304 /nfs/dbraw/zinc/45/13/04/385451304.db2.gz QMRYBEMMPFUNQC-SNVBAGLBSA-N 1 0 286.759 2.805 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057652 385530039 /nfs/dbraw/zinc/53/00/39/385530039.db2.gz KPWWPESISCPIQE-RYUDHWBXSA-N 1 0 295.383 2.626 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000288823529 197173331 /nfs/dbraw/zinc/17/33/31/197173331.db2.gz NHRSEYPIAPZOMP-INIZCTEOSA-N 1 0 292.379 2.622 20 5 CFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286137173 385563402 /nfs/dbraw/zinc/56/34/02/385563402.db2.gz MYJAYPRMXKIYOL-UGFHNGPFSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC13CCC(CC1)C3)CC2 ZINC000408457728 285184241 /nfs/dbraw/zinc/18/42/41/285184241.db2.gz QGILOKYUFAKIFN-UHFFFAOYSA-N 1 0 287.363 2.928 20 5 CFBDRO CC(=O)c1cc(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286210668 385572536 /nfs/dbraw/zinc/57/25/36/385572536.db2.gz KVLALQVXBKVVKO-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286508504 385636513 /nfs/dbraw/zinc/63/65/13/385636513.db2.gz WZTJHWJWUWIMIG-PBWFPOADSA-N 1 0 289.379 2.965 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286645451 385675610 /nfs/dbraw/zinc/67/56/10/385675610.db2.gz TYFIWVFKPBQPPX-DGCLKSJQSA-N 1 0 284.743 2.593 20 5 CFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274096595 385718284 /nfs/dbraw/zinc/71/82/84/385718284.db2.gz UMJXKFFBXGQHMK-WOPDTQHZSA-N 1 0 294.351 2.833 20 5 CFBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281199989 195145968 /nfs/dbraw/zinc/14/59/68/195145968.db2.gz ALWNKTXLJWVTHX-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000286950593 385747777 /nfs/dbraw/zinc/74/77/77/385747777.db2.gz HIQXVBQEDRWVKE-CMPLNLGQSA-N 1 0 265.357 2.504 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178668174 285202533 /nfs/dbraw/zinc/20/25/33/285202533.db2.gz VWBWWGOKMIFPIH-SWLSCSKDSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000287243982 385811354 /nfs/dbraw/zinc/81/13/54/385811354.db2.gz ZAWJRRWEBFXJCQ-ZDUSSCGKSA-N 1 0 290.363 2.852 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277008544 386105960 /nfs/dbraw/zinc/10/59/60/386105960.db2.gz IVZBONZZFHQBBD-NSHDSACASA-N 1 0 298.774 2.564 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000090217380 285240374 /nfs/dbraw/zinc/24/03/74/285240374.db2.gz DFOYMTKACLPUJH-SMDDNHRTSA-N 1 0 278.352 2.979 20 5 CFBDRO CSCCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000281219672 195153988 /nfs/dbraw/zinc/15/39/88/195153988.db2.gz BPYAHZJQXRHHIN-UHFFFAOYSA-N 1 0 268.382 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)c1 ZINC000094659580 184836928 /nfs/dbraw/zinc/83/69/28/184836928.db2.gz MIWDBCCIMLCCOQ-UHFFFAOYSA-N 1 0 263.341 2.657 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094948914 184901785 /nfs/dbraw/zinc/90/17/85/184901785.db2.gz UDRINCNBFMLLLN-STQMWFEESA-N 1 0 280.368 2.962 20 5 CFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000282184022 195531562 /nfs/dbraw/zinc/53/15/62/195531562.db2.gz MZAQMEFRKUTVNT-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174440 533361359 /nfs/dbraw/zinc/36/13/59/533361359.db2.gz ARGNLJYCZLHMPF-GFCCVEGCSA-N 1 0 277.368 2.907 20 5 CFBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414861750 533450505 /nfs/dbraw/zinc/45/05/05/533450505.db2.gz WTMNNRJYXAVNNT-MNOVXSKESA-N 1 0 297.786 2.726 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190922125 533429487 /nfs/dbraw/zinc/42/94/87/533429487.db2.gz PVKOSCRBVUUUAC-ZYHUDNBSSA-N 1 0 284.743 2.905 20 5 CFBDRO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000341877575 130104283 /nfs/dbraw/zinc/10/42/83/130104283.db2.gz PFDFNTLUQLZKQW-OUCADQQQSA-N 1 0 277.368 2.586 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000355575912 130315850 /nfs/dbraw/zinc/31/58/50/130315850.db2.gz NURSQVNQZGVHNV-UHFFFAOYSA-N 1 0 294.399 2.853 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000192495682 413058311 /nfs/dbraw/zinc/05/83/11/413058311.db2.gz OLBCKKHCLZSLDJ-UHFFFAOYSA-N 1 0 296.396 2.506 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000180423108 393482634 /nfs/dbraw/zinc/48/26/34/393482634.db2.gz ZPLBPXCYEKNCLV-JTQLQIEISA-N 1 0 297.330 2.639 20 5 CFBDRO C[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179953840 393474189 /nfs/dbraw/zinc/47/41/89/393474189.db2.gz MVLPUBFCNHZDCZ-BLLLJJGKSA-N 1 0 286.331 2.655 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H]1C ZINC000183348111 393520062 /nfs/dbraw/zinc/52/00/62/393520062.db2.gz KAEUWIDCWXYIMU-LLVKDONJSA-N 1 0 266.366 2.841 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C(C2CC2)C2CC2)cs1 ZINC000037562599 393531730 /nfs/dbraw/zinc/53/17/30/393531730.db2.gz RSICOHXQJBSHQI-UHFFFAOYSA-N 1 0 252.339 2.935 20 5 CFBDRO CSC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330536817 393552560 /nfs/dbraw/zinc/55/25/60/393552560.db2.gz KBJOSDVSWVDYDV-TUAOUCFPSA-N 1 0 298.412 2.616 20 5 CFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](CC2CC2)CC1 ZINC000194083991 393676902 /nfs/dbraw/zinc/67/69/02/393676902.db2.gz LNXZQOCAXKMXEH-UHFFFAOYSA-N 1 0 275.352 2.881 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411178115 393681035 /nfs/dbraw/zinc/68/10/35/393681035.db2.gz KOEBCEAIULZBDP-UHFFFAOYSA-N 1 0 279.340 2.654 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721434 393631604 /nfs/dbraw/zinc/63/16/04/393631604.db2.gz NWFWZCSIWGNAEA-BBRMVZONSA-N 1 0 292.379 2.969 20 5 CFBDRO COC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000193041374 393639871 /nfs/dbraw/zinc/63/98/71/393639871.db2.gz MKXBLSWINZFKKD-HZPDHXFCSA-N 1 0 290.363 2.987 20 5 CFBDRO CC1(C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000193313529 393648026 /nfs/dbraw/zinc/64/80/26/393648026.db2.gz FNBRWFZFZHUVKA-KFWWJZLASA-N 1 0 290.363 2.721 20 5 CFBDRO CN(Cc1cn2ccccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000193665431 393660743 /nfs/dbraw/zinc/66/07/43/393660743.db2.gz KIRBOXXJMWTQNA-UHFFFAOYSA-N 1 0 296.330 2.875 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000080620426 393727367 /nfs/dbraw/zinc/72/73/67/393727367.db2.gz LSTPGWKEOTWMDJ-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCOC1 ZINC000470172821 393898965 /nfs/dbraw/zinc/89/89/65/393898965.db2.gz CWDMNYZRRQCCPL-NRUITVPNSA-N 1 0 290.363 2.966 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCOC1 ZINC000470172822 393899149 /nfs/dbraw/zinc/89/91/49/393899149.db2.gz CWDMNYZRRQCCPL-ODDCISTRSA-N 1 0 290.363 2.966 20 5 CFBDRO CC[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424378131 393841557 /nfs/dbraw/zinc/84/15/57/393841557.db2.gz SEXYNLAIOUYIAN-RBSFLKMASA-N 1 0 277.368 2.905 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119120986 393914677 /nfs/dbraw/zinc/91/46/77/393914677.db2.gz PCVXVDBXOJMQRY-NSHDSACASA-N 1 0 297.786 2.632 20 5 CFBDRO C[C@H](c1ccco1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000119227053 393916326 /nfs/dbraw/zinc/91/63/26/393916326.db2.gz VQHIVPNFLBNRCW-LLVKDONJSA-N 1 0 290.323 2.610 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251568175 393932327 /nfs/dbraw/zinc/93/23/27/393932327.db2.gz UEVKWQHKJPEGLY-SCRDCRAPSA-N 1 0 277.368 2.715 20 5 CFBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000352795775 394019954 /nfs/dbraw/zinc/01/99/54/394019954.db2.gz FJFOBWWJNIZISB-GZMMTYOYSA-N 1 0 270.329 2.575 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000430081512 393956797 /nfs/dbraw/zinc/95/67/97/393956797.db2.gz XKUFRFOUTDLKLI-PTRXPTGYSA-N 1 0 274.324 2.605 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C1CCOCC1 ZINC000430207440 393968123 /nfs/dbraw/zinc/96/81/23/393968123.db2.gz ZQJAUCPIYALOCJ-NSHDSACASA-N 1 0 294.351 2.508 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000430216288 393968994 /nfs/dbraw/zinc/96/89/94/393968994.db2.gz DYHHHQABLIQUPI-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000430217326 393969730 /nfs/dbraw/zinc/96/97/30/393969730.db2.gz KPWNRHQYLSVMEA-BETUJISGSA-N 1 0 276.336 2.691 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000430228644 393970846 /nfs/dbraw/zinc/97/08/46/393970846.db2.gz DLINCKCQOWBNMJ-NSHDSACASA-N 1 0 296.392 2.788 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000349972918 393974901 /nfs/dbraw/zinc/97/49/01/393974901.db2.gz UQRXIEPAHWTLLD-GOEBONIOSA-N 1 0 290.363 2.904 20 5 CFBDRO COC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487186227 393987358 /nfs/dbraw/zinc/98/73/58/393987358.db2.gz NAYWJYAIMUDOLZ-MRVPVSSYSA-N 1 0 292.257 2.738 20 5 CFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268340157 393991918 /nfs/dbraw/zinc/99/19/18/393991918.db2.gz KXVNYOAEXWTQBC-XHDPSFHLSA-N 1 0 292.335 2.541 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C\c1ccncc1 ZINC000487293363 393995016 /nfs/dbraw/zinc/99/50/16/393995016.db2.gz ZTHQQWQNHREVLJ-IHWYPQMZSA-N 1 0 299.330 2.801 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269602920 394005495 /nfs/dbraw/zinc/00/54/95/394005495.db2.gz AYSUVKQXHAIWMH-NOZJJQNGSA-N 1 0 299.321 2.649 20 5 CFBDRO C[NH+](C)CCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433146500 394013544 /nfs/dbraw/zinc/01/35/44/394013544.db2.gz VNBLJDBBFLWMMI-HNNXBMFYSA-N 1 0 291.395 2.859 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000127667854 394054096 /nfs/dbraw/zinc/05/40/96/394054096.db2.gz REKVVBMGQVFMJM-LBPRGKRZSA-N 1 0 293.367 2.746 20 5 CFBDRO CC(C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279098002 394065178 /nfs/dbraw/zinc/06/51/78/394065178.db2.gz OBUBFEFAXDEYFR-ZDUSSCGKSA-N 1 0 278.352 2.678 20 5 CFBDRO COC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130214238 394105609 /nfs/dbraw/zinc/10/56/09/394105609.db2.gz UUTVGTSAGUTZRX-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281663041 394079020 /nfs/dbraw/zinc/07/90/20/394079020.db2.gz KWNGHULUEOHIDH-FZMZJTMJSA-N 1 0 264.325 2.594 20 5 CFBDRO Cc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000357776326 394091801 /nfs/dbraw/zinc/09/18/01/394091801.db2.gz UJXWKVDZJKCRER-UHFFFAOYSA-N 1 0 285.303 2.697 20 5 CFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900631 394093005 /nfs/dbraw/zinc/09/30/05/394093005.db2.gz CRJXPRSSYJEPQU-STQMWFEESA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353821509 394036662 /nfs/dbraw/zinc/03/66/62/394036662.db2.gz SOGJTLFAJZANLN-XQHKEYJVSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000421195846 394179446 /nfs/dbraw/zinc/17/94/46/394179446.db2.gz DTYUMNXALUWZMI-GFCCVEGCSA-N 1 0 278.352 2.941 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000439657527 394125751 /nfs/dbraw/zinc/12/57/51/394125751.db2.gz DIJPGLCJHQEXGG-UWVGGRQHSA-N 1 0 284.747 2.538 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110739 394216003 /nfs/dbraw/zinc/21/60/03/394216003.db2.gz GJLOQFNQKQAJKF-NEPJUHHUSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000135282737 394216555 /nfs/dbraw/zinc/21/65/55/394216555.db2.gz BORMVMGMEXSSMR-SDDRHHMPSA-N 1 0 264.325 2.670 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449159549 394235214 /nfs/dbraw/zinc/23/52/14/394235214.db2.gz HFVYXWSJWLMQDY-LBPRGKRZSA-N 1 0 288.351 2.532 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(C)(C)CO ZINC000449161192 394235882 /nfs/dbraw/zinc/23/58/82/394235882.db2.gz DQEPLZJBHGATFC-CYBMUJFWSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CCOCC1 ZINC000449175152 394241539 /nfs/dbraw/zinc/24/15/39/394241539.db2.gz QNJFYTFHABWLKC-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)CO ZINC000449209540 394252889 /nfs/dbraw/zinc/25/28/89/394252889.db2.gz UUSHNSRUPKELJS-QWHCGFSZSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(C)(C)C ZINC000449212507 394254101 /nfs/dbraw/zinc/25/41/01/394254101.db2.gz SYUAEWNKCJTZFC-OCCSQVGLSA-N 1 0 294.395 2.913 20 5 CFBDRO Cn1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291681763 394254321 /nfs/dbraw/zinc/25/43/21/394254321.db2.gz HUPLCEBPYQSUDJ-UHFFFAOYSA-N 1 0 273.336 2.958 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCOC1 ZINC000449240701 394264146 /nfs/dbraw/zinc/26/41/46/394264146.db2.gz ONDVRVSFWBXAAA-CHWSQXEVSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1c(CN[C@@H]2CCCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077711 394265214 /nfs/dbraw/zinc/26/52/14/394265214.db2.gz MWCUAMSLRLVXBD-ZIAGYGMSSA-N 1 0 277.368 2.653 20 5 CFBDRO CC1(C)C[C@H](N[C@H](C[NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265457 394274944 /nfs/dbraw/zinc/27/49/44/394274944.db2.gz AVJQKMCHSOGDRX-LSDHHAIUSA-N 1 0 289.379 2.644 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449544466 394281098 /nfs/dbraw/zinc/28/10/98/394281098.db2.gz QQFIXAKBINTEQM-BZPMIXESSA-N 1 0 280.368 2.665 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOC1 ZINC000153479488 394285033 /nfs/dbraw/zinc/28/50/33/394285033.db2.gz ZXEGDQBCSLKIGT-OCCSQVGLSA-N 1 0 278.352 2.685 20 5 CFBDRO CCC[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153756372 394291029 /nfs/dbraw/zinc/29/10/29/394291029.db2.gz GSWXBOLUDAAPLB-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294885825 394295442 /nfs/dbraw/zinc/29/54/42/394295442.db2.gz GMBVFYLNLFADBJ-NSHDSACASA-N 1 0 293.342 2.654 20 5 CFBDRO Cc1cc(N2CC[C@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450608319 394298124 /nfs/dbraw/zinc/29/81/24/394298124.db2.gz YWCGKIHMBRAQTQ-JTQLQIEISA-N 1 0 275.283 3.000 20 5 CFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000423677932 394307828 /nfs/dbraw/zinc/30/78/28/394307828.db2.gz IDGFREIYHUUYIV-NSHDSACASA-N 1 0 293.367 2.575 20 5 CFBDRO COc1cc(C[N@@H+]2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000494014455 394339270 /nfs/dbraw/zinc/33/92/70/394339270.db2.gz DBGKUWPLDZRBFB-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158174929 394355185 /nfs/dbraw/zinc/35/51/85/394355185.db2.gz DKERQGRKQQGHCD-ZIAGYGMSSA-N 1 0 291.395 2.896 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)CCC2 ZINC000453381477 394393177 /nfs/dbraw/zinc/39/31/77/394393177.db2.gz LFOGJWQTQOBRAL-APHBMKBZSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)C2CCC2)cccc1[N+](=O)[O-] ZINC000453387340 394394164 /nfs/dbraw/zinc/39/41/64/394394164.db2.gz PTFGYNRFDDKANL-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453405660 394398314 /nfs/dbraw/zinc/39/83/14/394398314.db2.gz JTUXVLSQHGXTQM-YRGRVCCFSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cncn1C ZINC000530460178 394519815 /nfs/dbraw/zinc/51/98/15/394519815.db2.gz RNPRCYDBLYQQKG-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000548160130 394915880 /nfs/dbraw/zinc/91/58/80/394915880.db2.gz WAOQJBRENWIDGY-NWDGAFQWSA-N 1 0 280.372 2.777 20 5 CFBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000548487727 394935934 /nfs/dbraw/zinc/93/59/34/394935934.db2.gz PNGNKNSQDWVASF-JSGCOSHPSA-N 1 0 280.372 2.740 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438205 394974050 /nfs/dbraw/zinc/97/40/50/394974050.db2.gz CKSLUARYJRNDPW-OCCSQVGLSA-N 1 0 291.395 2.896 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691519 397577034 /nfs/dbraw/zinc/57/70/34/397577034.db2.gz DIZNJMCFICNVKY-CHWSQXEVSA-N 1 0 279.384 2.976 20 5 CFBDRO CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000255193487 397628832 /nfs/dbraw/zinc/62/88/32/397628832.db2.gz AMVHYDNVGCEOIL-XQRVVYSFSA-N 1 0 276.336 2.767 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356848705 155392621 /nfs/dbraw/zinc/39/26/21/155392621.db2.gz OTJUKYHLMURVFR-NEPJUHHUSA-N 1 0 294.351 2.508 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348107163 154323434 /nfs/dbraw/zinc/32/34/34/154323434.db2.gz IXCHSUOZEZZNAX-ZIAGYGMSSA-N 1 0 276.336 2.882 20 5 CFBDRO CC[C@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000348114728 154326463 /nfs/dbraw/zinc/32/64/63/154326463.db2.gz UKECLLXAVDDGLB-GXFFZTMASA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348268275 154388861 /nfs/dbraw/zinc/38/88/61/154388861.db2.gz DNVKUXCCOZYXJX-XROYCOCOSA-N 1 0 256.252 2.899 20 5 CFBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000355031869 154891470 /nfs/dbraw/zinc/89/14/70/154891470.db2.gz BODDCTPHBOUUSA-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355782048 155085053 /nfs/dbraw/zinc/08/50/53/155085053.db2.gz QGZSVXBEGHTYFB-TZMCWYRMSA-N 1 0 278.352 2.808 20 5 CFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000355781375 155085134 /nfs/dbraw/zinc/08/51/34/155085134.db2.gz WWONNOBWGATARY-GXSJLCMTSA-N 1 0 270.354 2.561 20 5 CFBDRO CCC(CC)C[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355788580 155088119 /nfs/dbraw/zinc/08/81/19/155088119.db2.gz CCIZSIQIUNLNIY-UHFFFAOYSA-N 1 0 268.361 2.586 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+](C)C)n1 ZINC000359083367 155981064 /nfs/dbraw/zinc/98/10/64/155981064.db2.gz OCSLFAYNWBVXMK-ZDUSSCGKSA-N 1 0 294.399 2.995 20 5 CFBDRO CC(C)[NH+]1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000360184697 156045057 /nfs/dbraw/zinc/04/50/57/156045057.db2.gz UDZRMWBFBOHJRI-UHFFFAOYSA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367056081 156273920 /nfs/dbraw/zinc/27/39/20/156273920.db2.gz VSFFCMMEKVCGQR-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000373176076 156961691 /nfs/dbraw/zinc/96/16/91/156961691.db2.gz JTBQVDRWKDWYRG-WGFVLNOWSA-N 1 0 288.347 2.765 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC([NH+]2CCCCC2)C1 ZINC000373678376 157021166 /nfs/dbraw/zinc/02/11/66/157021166.db2.gz ARTJSVRHQLHJBN-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000373776617 157028842 /nfs/dbraw/zinc/02/88/42/157028842.db2.gz IAPXRTRINZXXKF-CQSZACIVSA-N 1 0 276.336 2.978 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1F ZINC000374795719 157159068 /nfs/dbraw/zinc/15/90/68/157159068.db2.gz SIOGFSXJJOQCBM-CABCVRRESA-N 1 0 294.326 2.877 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@]12CCOC2 ZINC000375302630 157222674 /nfs/dbraw/zinc/22/26/74/157222674.db2.gz MEMJXILAOPCVDT-GIZXNFQBSA-N 1 0 288.347 2.863 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000376325567 157343473 /nfs/dbraw/zinc/34/34/73/157343473.db2.gz RTHCGDIUSWBNJS-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000407993974 157375005 /nfs/dbraw/zinc/37/50/05/157375005.db2.gz XEXMHZWOVVDCRZ-UHFFFAOYSA-N 1 0 294.351 2.690 20 5 CFBDRO CS[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331019262 286712775 /nfs/dbraw/zinc/71/27/75/286712775.db2.gz QUODGACEDBLLKF-GRYCIOLGSA-N 1 0 298.412 2.616 20 5 CFBDRO CCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000343812298 161868310 /nfs/dbraw/zinc/86/83/10/161868310.db2.gz VNKRIZSCCQQEHA-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344368738 162026954 /nfs/dbraw/zinc/02/69/54/162026954.db2.gz FRJGVUJBAAVMSU-WOLLIAJRSA-N 1 0 292.379 2.995 20 5 CFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000344412884 162037445 /nfs/dbraw/zinc/03/74/45/162037445.db2.gz FAFQZNQJUHWKTK-ZDUSSCGKSA-N 1 0 280.372 2.768 20 5 CFBDRO COCc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000344584346 162073283 /nfs/dbraw/zinc/07/32/83/162073283.db2.gz WAVOQSVNNUYEBB-UHFFFAOYSA-N 1 0 290.319 2.667 20 5 CFBDRO COC1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000344612401 162080094 /nfs/dbraw/zinc/08/00/94/162080094.db2.gz WJMRWGRSTHRVAL-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO CO[C@@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344789231 162122144 /nfs/dbraw/zinc/12/21/44/162122144.db2.gz GZMMUKOHNRUEBY-VNKGSWCUSA-N 1 0 264.325 2.623 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C[C@H](C)O ZINC000344798085 162124332 /nfs/dbraw/zinc/12/43/32/162124332.db2.gz XQPNTXQZLNMVFC-SUHDFKPZSA-N 1 0 292.379 2.995 20 5 CFBDRO CCC[C@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344821895 162128799 /nfs/dbraw/zinc/12/87/99/162128799.db2.gz JDPBTZBRGPJTSV-JQVXPOPVSA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCO1 ZINC000344843118 162133726 /nfs/dbraw/zinc/13/37/26/162133726.db2.gz FHOJLOSQLUGZMA-INDWDQIESA-N 1 0 276.336 2.767 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CCO ZINC000344882744 162139535 /nfs/dbraw/zinc/13/95/35/162139535.db2.gz XUYHZWCDSWLWCS-YFBAIUBQSA-N 1 0 278.352 2.606 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2SC)cc1[N+](=O)[O-] ZINC000344957814 162153139 /nfs/dbraw/zinc/15/31/39/162153139.db2.gz PVEHQQWXSUAUNV-GWCFXTLKSA-N 1 0 282.365 2.587 20 5 CFBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344954110 162153183 /nfs/dbraw/zinc/15/31/83/162153183.db2.gz JEPPRQLTBNYWAO-RYUDHWBXSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[C@H](O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000345042106 162167965 /nfs/dbraw/zinc/16/79/65/162167965.db2.gz XXHPNFWDHBHIEZ-RZXPCSSPSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000346163285 162336912 /nfs/dbraw/zinc/33/69/12/162336912.db2.gz LSZAJWMPOSBXPU-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346169352 162339346 /nfs/dbraw/zinc/33/93/46/162339346.db2.gz QFKKQBUUFLYBLM-CHWSQXEVSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346184185 162345311 /nfs/dbraw/zinc/34/53/11/162345311.db2.gz KYYJBHSSPVYLSN-OLZOCXBDSA-N 1 0 277.368 2.509 20 5 CFBDRO CCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000346322193 162382873 /nfs/dbraw/zinc/38/28/73/162382873.db2.gz UVIHOJCEMNYYAK-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO CC(C)(CF)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349826548 163021089 /nfs/dbraw/zinc/02/10/89/163021089.db2.gz CXRFOVCJHPRFHO-FNORWQNLSA-N 1 0 252.289 2.946 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349966447 163043291 /nfs/dbraw/zinc/04/32/91/163043291.db2.gz MQADKSOVLOOWMS-MRXNPFEDSA-N 1 0 289.379 2.572 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnn(CCCn3ccnc3)c2)c1 ZINC000351713740 163180318 /nfs/dbraw/zinc/18/03/18/163180318.db2.gz WDXLCTJDMIBNSP-UHFFFAOYSA-N 1 0 297.318 2.745 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352780461 163231998 /nfs/dbraw/zinc/23/19/98/163231998.db2.gz UMLRHZYJNVGHFR-CYBMUJFWSA-N 1 0 276.336 2.835 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353014253 163286709 /nfs/dbraw/zinc/28/67/09/163286709.db2.gz CQJTWWOUYYKYBL-FJYXQWIHSA-N 1 0 278.377 2.949 20 5 CFBDRO Cc1cc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])on1 ZINC000353083481 163302472 /nfs/dbraw/zinc/30/24/72/163302472.db2.gz HMSIGNRLORXKTB-GQCTYLIASA-N 1 0 287.319 2.737 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000353091773 163304547 /nfs/dbraw/zinc/30/45/47/163304547.db2.gz HXBFVHQAMUARBM-ZDUSSCGKSA-N 1 0 279.384 2.805 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000353119199 163308421 /nfs/dbraw/zinc/30/84/21/163308421.db2.gz NKWIYJQRDQRMHW-AWEZNQCLSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@@H]1CC[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353458321 163369174 /nfs/dbraw/zinc/36/91/74/163369174.db2.gz BOMQWDCNCIEYGR-HZRUHFOJSA-N 1 0 289.379 2.634 20 5 CFBDRO Cc1sccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000353494393 163377870 /nfs/dbraw/zinc/37/78/70/163377870.db2.gz BXCAMDGNUIEGNH-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CC1 ZINC000274477141 287152135 /nfs/dbraw/zinc/15/21/35/287152135.db2.gz LLWRWRWXVUNQMT-LBPRGKRZSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@H]([NH2+]CCCOCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284313500 196026857 /nfs/dbraw/zinc/02/68/57/196026857.db2.gz ZJNBQTGWNKBFMA-NSHDSACASA-N 1 0 293.367 2.644 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000284428965 196053485 /nfs/dbraw/zinc/05/34/85/196053485.db2.gz REZAZVBKCATQGD-CYBMUJFWSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000020370277 171167569 /nfs/dbraw/zinc/16/75/69/171167569.db2.gz RPBLIMAXKVHJOF-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000021848180 171335146 /nfs/dbraw/zinc/33/51/46/171335146.db2.gz KRCKEUIAEMFFGH-LBPRGKRZSA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284947517 196162607 /nfs/dbraw/zinc/16/26/07/196162607.db2.gz WVIACYRIIIOCMA-GJZGRUSLSA-N 1 0 276.336 2.738 20 5 CFBDRO Cc1cc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000035277307 172097447 /nfs/dbraw/zinc/09/74/47/172097447.db2.gz COZHNBYHHPHBHC-UHFFFAOYSA-N 1 0 265.357 2.903 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277392 172097472 /nfs/dbraw/zinc/09/74/72/172097472.db2.gz SYSWAXHRXFHSKC-ZDUSSCGKSA-N 1 0 263.341 2.799 20 5 CFBDRO CSCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285192229 196218014 /nfs/dbraw/zinc/21/80/14/196218014.db2.gz CLZMUJPNPXETMS-UHFFFAOYSA-N 1 0 268.382 2.822 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CCO)CCCC1 ZINC000285574002 196331747 /nfs/dbraw/zinc/33/17/47/196331747.db2.gz SUBNEAKZSUGNNF-FNORWQNLSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@H]([NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177109 173010870 /nfs/dbraw/zinc/01/08/70/173010870.db2.gz MNPFZEVOOIIJRD-NSHDSACASA-N 1 0 257.293 2.841 20 5 CFBDRO CC[NH+](CC)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378931 173167354 /nfs/dbraw/zinc/16/73/54/173167354.db2.gz ITKCFINLAKMEBT-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO COc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000037487075 173230088 /nfs/dbraw/zinc/23/00/88/173230088.db2.gz DPYACCCTNADAAP-UHFFFAOYSA-N 1 0 272.304 2.893 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000038028736 174018114 /nfs/dbraw/zinc/01/81/14/174018114.db2.gz OHICSNKWMYZVMS-ZDUSSCGKSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044358 174052100 /nfs/dbraw/zinc/05/21/00/174052100.db2.gz PEGYIFIIMNHSST-RYUDHWBXSA-N 1 0 264.325 2.672 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCCCC2)cc1 ZINC000038079318 174089481 /nfs/dbraw/zinc/08/94/81/174089481.db2.gz MAHMKTDSKPLZIU-UHFFFAOYSA-N 1 0 264.325 2.896 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000038096029 174110257 /nfs/dbraw/zinc/11/02/57/174110257.db2.gz GXOVHVBSLGHUMO-NWDGAFQWSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc(CNCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000040433288 174261153 /nfs/dbraw/zinc/26/11/53/174261153.db2.gz QJWLQCQPWONCJV-UHFFFAOYSA-N 1 0 291.395 2.869 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000040444547 174263878 /nfs/dbraw/zinc/26/38/78/174263878.db2.gz GTZPVCHSYLTUJV-UHFFFAOYSA-N 1 0 260.337 2.916 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672645 174370067 /nfs/dbraw/zinc/37/00/67/174370067.db2.gz PPURQQRGNKBNHI-ZFWWWQNUSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000044499304 175184682 /nfs/dbraw/zinc/18/46/82/175184682.db2.gz WKIOQQZVGZHBKZ-GHMZBOCLSA-N 1 0 274.324 2.740 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000044498909 175184712 /nfs/dbraw/zinc/18/47/12/175184712.db2.gz HQESCPVUROLEOH-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C)CC1 ZINC000044526308 175191371 /nfs/dbraw/zinc/19/13/71/175191371.db2.gz YTFWPAWLLVISPL-UHFFFAOYSA-N 1 0 263.341 2.657 20 5 CFBDRO Cc1cc(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000044526313 175191420 /nfs/dbraw/zinc/19/14/20/175191420.db2.gz PXCUGZVRERLCKP-UHFFFAOYSA-N 1 0 263.341 2.657 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000044572615 175210384 /nfs/dbraw/zinc/21/03/84/175210384.db2.gz FRTJBOKFLIQJTG-ZDUSSCGKSA-N 1 0 263.341 2.798 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044690525 175233110 /nfs/dbraw/zinc/23/31/10/175233110.db2.gz SQIBREFMBWXVRD-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO CCC[C@H]([NH2+]CCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044693973 175234883 /nfs/dbraw/zinc/23/48/83/175234883.db2.gz YAZPUECMMZTWMV-HNNXBMFYSA-N 1 0 296.367 2.689 20 5 CFBDRO Cc1nc(C)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000076866654 177125044 /nfs/dbraw/zinc/12/50/44/177125044.db2.gz BSCZWKQLBMWBDR-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO Cn1cncc1Cc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000350623529 227044427 /nfs/dbraw/zinc/04/44/27/227044427.db2.gz QAAXDFNDMQJDOE-UHFFFAOYSA-N 1 0 290.326 2.813 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc[nH]n1 ZINC000526046462 260174788 /nfs/dbraw/zinc/17/47/88/260174788.db2.gz BNCCWGJAFJHUCL-XFFZJAGNSA-N 1 0 272.308 2.511 20 5 CFBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000313154989 260254015 /nfs/dbraw/zinc/25/40/15/260254015.db2.gz NBGVKAJFCJMQAU-TZMCWYRMSA-N 1 0 266.341 2.542 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000313165466 260255218 /nfs/dbraw/zinc/25/52/18/260255218.db2.gz SOAJUQQPHBPYTQ-BPNCWPANSA-N 1 0 266.341 2.795 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152688670 261068177 /nfs/dbraw/zinc/06/81/77/261068177.db2.gz AMMXTXOHDXLYKR-STQMWFEESA-N 1 0 276.336 2.706 20 5 CFBDRO C[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000525787194 262238099 /nfs/dbraw/zinc/23/80/99/262238099.db2.gz XVRVRLBTTQTJBG-VXGBXAGGSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628272 263145541 /nfs/dbraw/zinc/14/55/41/263145541.db2.gz HITSCNNIKYGVAD-NSHDSACASA-N 1 0 293.367 2.523 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(C)(C)C1 ZINC000072827712 264273822 /nfs/dbraw/zinc/27/38/22/264273822.db2.gz XNWOIVOAZGHGRE-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000095015635 265285244 /nfs/dbraw/zinc/28/52/44/265285244.db2.gz WAARGZCURORSAC-CHWSQXEVSA-N 1 0 275.352 2.942 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308364994 270288847 /nfs/dbraw/zinc/28/88/47/270288847.db2.gz KGQLBNPEWPPHFK-HUUCEWRRSA-N 1 0 290.363 2.685 20 5 CFBDRO CC[C@H]([NH2+]CCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000313255061 270290243 /nfs/dbraw/zinc/29/02/43/270290243.db2.gz QOEWQNXJAXRKNF-HNNXBMFYSA-N 1 0 288.351 2.612 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316113785 270294338 /nfs/dbraw/zinc/29/43/38/270294338.db2.gz FNVXFNSQXKFRAC-GJZGRUSLSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1CO ZINC000514679693 270349746 /nfs/dbraw/zinc/34/97/46/270349746.db2.gz PUZUTADJBAKHCD-INIZCTEOSA-N 1 0 298.342 2.864 20 5 CFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc[nH]1 ZINC000516111877 270377943 /nfs/dbraw/zinc/37/79/43/270377943.db2.gz JMLAGGBUVAPUFA-SNVBAGLBSA-N 1 0 299.334 2.693 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cnccn1 ZINC000530465182 270794514 /nfs/dbraw/zinc/79/45/14/270794514.db2.gz GGSVIKQOMLTCDJ-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO CC[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279221522 273747588 /nfs/dbraw/zinc/74/75/88/273747588.db2.gz ZBZYOUOICLPCMX-YGRLFVJLSA-N 1 0 278.352 2.678 20 5 CFBDRO CC[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293765505 273755112 /nfs/dbraw/zinc/75/51/12/273755112.db2.gz SISOJVVMUJKZNJ-FZMZJTMJSA-N 1 0 278.352 2.678 20 5 CFBDRO COCCOCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000289134284 274037274 /nfs/dbraw/zinc/03/72/74/274037274.db2.gz YCIXDSBCUCBLEP-CYBMUJFWSA-N 1 0 296.367 2.559 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268892334 274250038 /nfs/dbraw/zinc/25/00/38/274250038.db2.gz OKATXMPPFNBUFD-MFKMUULPSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359808 274295092 /nfs/dbraw/zinc/29/50/92/274295092.db2.gz BGUMEVQBGMEAMI-SKDRFNHKSA-N 1 0 279.296 2.781 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628102 274335252 /nfs/dbraw/zinc/33/52/52/274335252.db2.gz LTINNWYMWJPVBG-ZYHUDNBSSA-N 1 0 281.331 2.510 20 5 CFBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000247997100 274524167 /nfs/dbraw/zinc/52/41/67/274524167.db2.gz JYFUTTHYBDWKDK-YMRXKLBXSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000420289765 274591594 /nfs/dbraw/zinc/59/15/94/274591594.db2.gz ZXDHYXQYMRPPSR-RCOVLWMOSA-N 1 0 290.150 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCC1)CCCC2 ZINC000417311375 275038297 /nfs/dbraw/zinc/03/82/97/275038297.db2.gz OQRBFRNAWYJAPO-MRXNPFEDSA-N 1 0 289.379 2.658 20 5 CFBDRO CC(C)(C)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301077988 275510605 /nfs/dbraw/zinc/51/06/05/275510605.db2.gz IZTOHAQMXSNYFU-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)COC1 ZINC000278996149 275896343 /nfs/dbraw/zinc/89/63/43/275896343.db2.gz FGOKCUDXHKCZRI-CQSZACIVSA-N 1 0 290.363 2.943 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O ZINC000352416484 276002269 /nfs/dbraw/zinc/00/22/69/276002269.db2.gz GXBKSTNAYCAZJX-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO CC[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182627651 276197173 /nfs/dbraw/zinc/19/71/73/276197173.db2.gz ZKOVBDCGKUDOEI-ZDUSSCGKSA-N 1 0 277.368 2.602 20 5 CFBDRO CC[C@H](CO)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271129530 287876782 /nfs/dbraw/zinc/87/67/82/287876782.db2.gz LNNHVORIHZTTAX-VXGBXAGGSA-N 1 0 298.408 2.826 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000349976603 276242187 /nfs/dbraw/zinc/24/21/87/276242187.db2.gz PVXRRYNBJNDEGD-UONOGXRCSA-N 1 0 291.395 2.818 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127642399 276339921 /nfs/dbraw/zinc/33/99/21/276339921.db2.gz BYBKHCDCWRUGBY-OLZOCXBDSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)CC(C)C ZINC000273147298 276340698 /nfs/dbraw/zinc/34/06/98/276340698.db2.gz GOZJETJFXXWRMZ-LBPRGKRZSA-N 1 0 295.387 2.553 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1ccccc1[N+](=O)[O-])CC2 ZINC000367646301 277042674 /nfs/dbraw/zinc/04/26/74/277042674.db2.gz QVPUFCJRQVAVAF-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000181597507 277262827 /nfs/dbraw/zinc/26/28/27/277262827.db2.gz TZGKTYQHOISFNT-NHYWBVRUSA-N 1 0 278.352 2.979 20 5 CFBDRO C[NH2+]CCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423208589 277268724 /nfs/dbraw/zinc/26/87/24/277268724.db2.gz ZJJSJYZGPYHABL-AWEZNQCLSA-N 1 0 277.368 2.516 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000280357230 277307420 /nfs/dbraw/zinc/30/74/20/277307420.db2.gz RSTOQNPXDZSWJB-NSHDSACASA-N 1 0 294.351 2.835 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155098010 277516994 /nfs/dbraw/zinc/51/69/94/277516994.db2.gz QZCUEYHZSQVAGS-VHSXEESVSA-N 1 0 254.355 2.997 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193337418 277714595 /nfs/dbraw/zinc/71/45/95/277714595.db2.gz HCSSUMFAAFQROG-RWSFTLGLSA-N 1 0 278.352 2.985 20 5 CFBDRO CO[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272790517 277746408 /nfs/dbraw/zinc/74/64/08/277746408.db2.gz CCKQPZMXMHEPAU-LBPRGKRZSA-N 1 0 287.319 2.677 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796708 278134048 /nfs/dbraw/zinc/13/40/48/278134048.db2.gz DJFIRTSXBYZUQC-NXEZZACHSA-N 1 0 254.355 2.997 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000135613937 278280728 /nfs/dbraw/zinc/28/07/28/278280728.db2.gz WAMSNLOFSCXRQH-CQDKDKBSSA-N 1 0 278.352 2.939 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCCC1 ZINC000449331780 278298913 /nfs/dbraw/zinc/29/89/13/278298913.db2.gz AWYNVRYXIVNHBS-WFASDCNBSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000408244532 278313545 /nfs/dbraw/zinc/31/35/45/278313545.db2.gz CLEHZOZDRUZFIS-DOMZBBRYSA-N 1 0 276.336 2.768 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246819210 278347187 /nfs/dbraw/zinc/34/71/87/278347187.db2.gz BBLFBEZZRZLULC-UONOGXRCSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000361386425 278356150 /nfs/dbraw/zinc/35/61/50/278356150.db2.gz KGSZFFVGGHSIPD-RISCZKNCSA-N 1 0 264.325 2.672 20 5 CFBDRO CC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCC1 ZINC000348919749 278457061 /nfs/dbraw/zinc/45/70/61/278457061.db2.gz GRZAZWYBCMXBBU-UHFFFAOYSA-N 1 0 263.341 2.550 20 5 CFBDRO CC1(F)CC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453236247 278466914 /nfs/dbraw/zinc/46/69/14/278466914.db2.gz KWNPNZJQCXSLAP-MRFPXMQZSA-N 1 0 296.346 2.755 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000294948153 288081546 /nfs/dbraw/zinc/08/15/46/288081546.db2.gz ILASBOMOHQIPTK-MFKMUULPSA-N 1 0 266.341 2.795 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177209362 279079996 /nfs/dbraw/zinc/07/99/96/279079996.db2.gz ILUDRMZPNAVJOA-VHSXEESVSA-N 1 0 275.308 2.966 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349193899 288101633 /nfs/dbraw/zinc/10/16/33/288101633.db2.gz WXDQIGVGCNMSSZ-VHSXEESVSA-N 1 0 283.759 2.777 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000040775297 279174071 /nfs/dbraw/zinc/17/40/71/279174071.db2.gz VAFYFIZTQLVPAZ-DGCLKSJQSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(C)(C)O ZINC000449448177 279382445 /nfs/dbraw/zinc/38/24/45/279382445.db2.gz FOPLBRQTZPCQML-VXGBXAGGSA-N 1 0 280.368 2.665 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC[C@@H]1C ZINC000449281830 279382774 /nfs/dbraw/zinc/38/27/74/279382774.db2.gz FIUFVHOUUMTUJW-SCRDCRAPSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCOC1 ZINC000449172713 279382814 /nfs/dbraw/zinc/38/28/14/279382814.db2.gz WIWHDPQLIHDTNO-BZPMIXESSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346790036 279534562 /nfs/dbraw/zinc/53/45/62/279534562.db2.gz FUYRXIYVRPQHGS-ZOWXZIJZSA-N 1 0 277.368 2.728 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000305148353 280118430 /nfs/dbraw/zinc/11/84/30/280118430.db2.gz SNUYSFHZNHRQGA-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000414514343 280364378 /nfs/dbraw/zinc/36/43/78/280364378.db2.gz RJMMRBGZQCQIRB-CHWSQXEVSA-N 1 0 252.289 2.965 20 5 CFBDRO C[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000114771122 280599336 /nfs/dbraw/zinc/59/93/36/280599336.db2.gz QVXGBODPNWXDLB-LLVKDONJSA-N 1 0 290.319 2.715 20 5 CFBDRO CCC[NH+]1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000134913042 280764488 /nfs/dbraw/zinc/76/44/88/280764488.db2.gz VYNNDJRWQXKBCX-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000296382277 280968668 /nfs/dbraw/zinc/96/86/68/280968668.db2.gz JQQCKROSSIZTRB-ZHAHWJHGSA-N 1 0 288.294 2.650 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420305402 281020139 /nfs/dbraw/zinc/02/01/39/281020139.db2.gz KCXVMQHERFWTTG-CJNGLKHVSA-N 1 0 289.379 2.650 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000305864821 281021946 /nfs/dbraw/zinc/02/19/46/281021946.db2.gz MRUQABXWLAPLBU-YNEHKIRRSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000265842299 281113908 /nfs/dbraw/zinc/11/39/08/281113908.db2.gz GLGHLNQOKZQBQX-LBPRGKRZSA-N 1 0 298.389 2.715 20 5 CFBDRO C[C@@H]([NH2+]CCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000268959359 281117921 /nfs/dbraw/zinc/11/79/21/281117921.db2.gz FGXRPJDIODFAFY-GFCCVEGCSA-N 1 0 286.335 2.753 20 5 CFBDRO Cc1cccc(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000302481759 281228734 /nfs/dbraw/zinc/22/87/34/281228734.db2.gz GSUKXSMVFAFMEB-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2c(OC)cccc2[N+](=O)[O-])C1 ZINC000515477761 281294077 /nfs/dbraw/zinc/29/40/77/281294077.db2.gz CNPVDOYURCAACH-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO COCC1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537448323 281537183 /nfs/dbraw/zinc/53/71/83/281537183.db2.gz AQIOHPNFOOMIKL-NSHDSACASA-N 1 0 264.325 2.733 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000537950444 281547046 /nfs/dbraw/zinc/54/70/46/281547046.db2.gz XVQGTWVAOLVONT-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C(C)C ZINC000537983006 281547548 /nfs/dbraw/zinc/54/75/48/281547548.db2.gz TUJSWCQBIQCTEC-RISCZKNCSA-N 1 0 266.341 2.571 20 5 CFBDRO COCC1([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000538552184 281554994 /nfs/dbraw/zinc/55/49/94/281554994.db2.gz SUNMVWUMLZDQGL-GFCCVEGCSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000548859568 281804997 /nfs/dbraw/zinc/80/49/97/281804997.db2.gz YZHRFEMHOXZWQM-OAHLLOKOSA-N 1 0 290.363 2.952 20 5 CFBDRO C[C@@]1(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]C1 ZINC000262130285 289161469 /nfs/dbraw/zinc/16/14/69/289161469.db2.gz YAVLMTQJBAQZMU-MRXNPFEDSA-N 1 0 289.379 2.559 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152732401 289853737 /nfs/dbraw/zinc/85/37/37/289853737.db2.gz KVGVRPSHTXMBPI-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000250065692 290011935 /nfs/dbraw/zinc/01/19/35/290011935.db2.gz NLNVJCGSBFDZCI-CORIIIEPSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000563122744 290105736 /nfs/dbraw/zinc/10/57/36/290105736.db2.gz PDLIHASINWWLGM-NWDGAFQWSA-N 1 0 282.315 2.974 20 5 CFBDRO Cc1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000563149017 290108979 /nfs/dbraw/zinc/10/89/79/290108979.db2.gz DJWQXSQOBRHEKU-CQSZACIVSA-N 1 0 278.352 2.903 20 5 CFBDRO CSC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417193 290146352 /nfs/dbraw/zinc/14/63/52/290146352.db2.gz JRRMVGNDHJWNTN-CABZTGNLSA-N 1 0 266.366 2.923 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416691 290146419 /nfs/dbraw/zinc/14/64/19/290146419.db2.gz INIXRJAGOCMBHY-WFASDCNBSA-N 1 0 289.379 2.514 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000564917658 290249343 /nfs/dbraw/zinc/24/93/43/290249343.db2.gz ZUZNPOOYRUXYNX-HUUCEWRRSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccoc1 ZINC000565218933 290283818 /nfs/dbraw/zinc/28/38/18/290283818.db2.gz TXCRAZNMJCOESO-CYBMUJFWSA-N 1 0 258.277 2.965 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccoc1 ZINC000565218936 290283889 /nfs/dbraw/zinc/28/38/89/290283889.db2.gz TXCRAZNMJCOESO-ZDUSSCGKSA-N 1 0 258.277 2.965 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219733 290283907 /nfs/dbraw/zinc/28/39/07/290283907.db2.gz YYEFODRBDVIMRL-BXUZGUMPSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(CO)CC1 ZINC000565404602 290299234 /nfs/dbraw/zinc/29/92/34/290299234.db2.gz XSQOYBJALCIWFQ-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566010451 290340834 /nfs/dbraw/zinc/34/08/34/290340834.db2.gz WZFQTSHZVXEUSD-OAHLLOKOSA-N 1 0 278.352 2.903 20 5 CFBDRO CC(C)[NH2+]CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000566088290 290346427 /nfs/dbraw/zinc/34/64/27/290346427.db2.gz GXVBKLWAEVUPEP-MRXNPFEDSA-N 1 0 291.395 2.950 20 5 CFBDRO O=C(CC[NH2+][C@@H]1C=CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000566111327 290349059 /nfs/dbraw/zinc/34/90/59/290349059.db2.gz ARDCYZOSAPTXQI-GFCCVEGCSA-N 1 0 289.335 2.622 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CO1 ZINC000566914737 290426372 /nfs/dbraw/zinc/42/63/72/290426372.db2.gz YKMBDYMMSJIJMP-DFBGVHRSSA-N 1 0 290.363 2.683 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000567992544 290512879 /nfs/dbraw/zinc/51/28/79/290512879.db2.gz UMZJPHYCHAPTES-SWLSCSKDSA-N 1 0 280.368 2.524 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301253523 304797454 /nfs/dbraw/zinc/79/74/54/304797454.db2.gz NAPLWPWWZDQXPT-LBPRGKRZSA-N 1 0 293.342 2.799 20 5 CFBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571178481 322574148 /nfs/dbraw/zinc/57/41/48/322574148.db2.gz FJBCUFVGVLIDHS-XUJVJEKNSA-N 1 0 290.363 2.844 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)C1CCCC1 ZINC000574823708 322707642 /nfs/dbraw/zinc/70/76/42/322707642.db2.gz VUBSHHMTBTXASY-GJZGRUSLSA-N 1 0 290.363 2.723 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000182266719 323852575 /nfs/dbraw/zinc/85/25/75/323852575.db2.gz IYYJGZQRPHEAAS-UKRRQHHQSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000183040742 323896157 /nfs/dbraw/zinc/89/61/57/323896157.db2.gz OJPZAOPTGWOCDQ-RYUDHWBXSA-N 1 0 293.367 2.948 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351145680 324326862 /nfs/dbraw/zinc/32/68/62/324326862.db2.gz KBIKWNDHDKHIIA-DTORHVGOSA-N 1 0 292.295 2.611 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000382424493 324428041 /nfs/dbraw/zinc/42/80/41/324428041.db2.gz LVJKASVJIBTSEK-GHMZBOCLSA-N 1 0 286.335 2.825 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385604012 324463673 /nfs/dbraw/zinc/46/36/73/324463673.db2.gz FDJJCQNPULYXKA-OPQQBVKSSA-N 1 0 264.325 2.738 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386963313 324484789 /nfs/dbraw/zinc/48/47/89/324484789.db2.gz ZMIJVNOSMSFVAW-HONMWMINSA-N 1 0 266.341 2.795 20 5 CFBDRO CCC[C@@H]([NH2+]C(COC)COC)c1cccc([N+](=O)[O-])c1 ZINC000388501929 324507508 /nfs/dbraw/zinc/50/75/08/324507508.db2.gz MOOSMSAXRJWGOQ-OAHLLOKOSA-N 1 0 296.367 2.687 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000576707310 324649690 /nfs/dbraw/zinc/64/96/90/324649690.db2.gz LWDUUKKUBUEDFU-LLVKDONJSA-N 1 0 293.367 2.948 20 5 CFBDRO O=[N+]([O-])c1cccc(OCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000576994321 324683734 /nfs/dbraw/zinc/68/37/34/324683734.db2.gz NLRBIJADHOJDIM-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO COCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000577747971 324776270 /nfs/dbraw/zinc/77/62/70/324776270.db2.gz GFBIQZSGEJFHPV-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@H](NC(=O)CCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000578253241 324833794 /nfs/dbraw/zinc/83/37/94/324833794.db2.gz OQRDZHWFCFLCFO-LBPRGKRZSA-N 1 0 293.367 2.504 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCSC1 ZINC000578522253 324861100 /nfs/dbraw/zinc/86/11/00/324861100.db2.gz GEIZDFIXMHGKCM-GXFFZTMASA-N 1 0 278.377 2.925 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000579662368 324968453 /nfs/dbraw/zinc/96/84/53/324968453.db2.gz OAVBXDQNLPULBA-QWHCGFSZSA-N 1 0 278.352 2.980 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC000580193773 325015043 /nfs/dbraw/zinc/01/50/43/325015043.db2.gz UCESPPURRNNYIC-NWDGAFQWSA-N 1 0 252.289 2.965 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430739 325205067 /nfs/dbraw/zinc/20/50/67/325205067.db2.gz GOIATEBUNMHKCQ-CQDKDKBSSA-N 1 0 292.379 2.969 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430741 325205640 /nfs/dbraw/zinc/20/56/40/325205640.db2.gz GOIATEBUNMHKCQ-NILFDRSVSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[NH+](CC)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582557176 325215536 /nfs/dbraw/zinc/21/55/36/325215536.db2.gz VFKMTQNIQUAKEG-AWEZNQCLSA-N 1 0 277.368 2.514 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000384745724 336130142 /nfs/dbraw/zinc/13/01/42/336130142.db2.gz MAPALEGZOKXSGA-XHVZSJERSA-N 1 0 264.325 2.559 20 5 CFBDRO CCCC[N@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338668794 520412258 /nfs/dbraw/zinc/41/22/58/520412258.db2.gz OBOJGECUGBHLMU-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171679712 521668946 /nfs/dbraw/zinc/66/89/46/521668946.db2.gz LFJTWIIWNHHSCE-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194613 533747432 /nfs/dbraw/zinc/74/74/32/533747432.db2.gz JGWASPWJAHRFJS-MFKMUULPSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@@H](C[NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300321 533774912 /nfs/dbraw/zinc/77/49/12/533774912.db2.gz DMBXDQNKOFDPHE-SUMWQHHRSA-N 1 0 299.374 2.869 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413137233 533828368 /nfs/dbraw/zinc/82/83/68/533828368.db2.gz OPKINDAGHVZDRC-PHIMTYICSA-N 1 0 296.346 2.804 20 5 CFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000184423971 533862559 /nfs/dbraw/zinc/86/25/59/533862559.db2.gz JOJSFZSNIOEBBC-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414509394 534064437 /nfs/dbraw/zinc/06/44/37/534064437.db2.gz CJCWJSNNHYKUAN-DYEKYZERSA-N 1 0 278.352 2.806 20 5 CFBDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000422951746 534179802 /nfs/dbraw/zinc/17/98/02/534179802.db2.gz ZZUHBMTXDJMMMM-XJKSGUPXSA-N 1 0 299.374 2.643 20 5 CFBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361541073 518938474 /nfs/dbraw/zinc/93/84/74/518938474.db2.gz LPXBBZBQPHLHGW-GFCCVEGCSA-N 1 0 280.372 2.549 20 5 CFBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000157954000 518973009 /nfs/dbraw/zinc/97/30/09/518973009.db2.gz UPXOEQOIJORTOR-KBPBESRZSA-N 1 0 294.399 2.986 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470766 519862141 /nfs/dbraw/zinc/86/21/41/519862141.db2.gz WVVHFFAWHJYIIX-KGLIPLIRSA-N 1 0 291.395 2.977 20 5 CFBDRO CCC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000168497387 521174631 /nfs/dbraw/zinc/17/46/31/521174631.db2.gz ODHHHHYSVXAYFI-STYXZAMGSA-N 1 0 298.408 2.793 20 5 CFBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000083662399 521309847 /nfs/dbraw/zinc/30/98/47/521309847.db2.gz WYBOIULEOZRXQN-UHFFFAOYSA-N 1 0 286.759 2.841 20 5 CFBDRO CCSCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885874 521708662 /nfs/dbraw/zinc/70/86/62/521708662.db2.gz MJGKOXCVPKECDE-UHFFFAOYSA-N 1 0 254.355 2.746 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313865946 522126400 /nfs/dbraw/zinc/12/64/00/522126400.db2.gz XLDWABKABNVXDZ-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353133093 522481638 /nfs/dbraw/zinc/48/16/38/522481638.db2.gz DNHBNGFMELDPPS-MWLCHTKSSA-N 1 0 280.324 2.500 20 5 CFBDRO CC[C@H]([NH2+]CCN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111008 522591523 /nfs/dbraw/zinc/59/15/23/522591523.db2.gz UIKUEHFDJMDSAY-HNNXBMFYSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392406 522704835 /nfs/dbraw/zinc/70/48/35/522704835.db2.gz IYWUUKRWTTZOTF-KBPBESRZSA-N 1 0 266.341 2.652 20 5 CFBDRO C[N@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000081173895 522978945 /nfs/dbraw/zinc/97/89/45/522978945.db2.gz JFGUWIYIHUDVKS-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO C[N@@H+]1CC[C@H](CSCc2ccc([N+](=O)[O-])cc2)C1 ZINC000191209529 523981922 /nfs/dbraw/zinc/98/19/22/523981922.db2.gz CTZDJVMGWQQLKX-LBPRGKRZSA-N 1 0 266.366 2.780 20 5 CFBDRO C[NH+](C)CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000314144057 524049554 /nfs/dbraw/zinc/04/95/54/524049554.db2.gz JXBJKUSVMLQUBN-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000226257103 524072095 /nfs/dbraw/zinc/07/20/95/524072095.db2.gz SPQDZLXMGUZOKL-LLVKDONJSA-N 1 0 264.325 2.739 20 5 CFBDRO Cc1cccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000339387697 524119975 /nfs/dbraw/zinc/11/99/75/524119975.db2.gz OFGASDYMGSFPQC-NSHDSACASA-N 1 0 290.323 2.999 20 5 CFBDRO C[C@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000189683818 524172633 /nfs/dbraw/zinc/17/26/33/524172633.db2.gz OYFXGGJHINTENX-GXFFZTMASA-N 1 0 298.412 2.974 20 5 CFBDRO C[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC000314123568 524505610 /nfs/dbraw/zinc/50/56/10/524505610.db2.gz DPRFVPDPRPOWLR-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO Cc1ccc(CNCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000061555416 524573922 /nfs/dbraw/zinc/57/39/22/524573922.db2.gz GWCZUKFXKOEEBF-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000312522287 524610342 /nfs/dbraw/zinc/61/03/42/524610342.db2.gz BYUIIGQZGBRPJT-KGLIPLIRSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1cccc(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000310782191 524677852 /nfs/dbraw/zinc/67/78/52/524677852.db2.gz RWHUGFBOUCEBHD-SNVBAGLBSA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000214034610 524760210 /nfs/dbraw/zinc/76/02/10/524760210.db2.gz YVCQOBDAPZFTEN-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@H](F)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339498158 524807405 /nfs/dbraw/zinc/80/74/05/524807405.db2.gz XXZXRKDWPVRHHL-QZPNVGJNSA-N 1 0 252.289 2.946 20 5 CFBDRO Cc1cc(SCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000360082510 525436022 /nfs/dbraw/zinc/43/60/22/525436022.db2.gz LUWAUSIITYPVST-UHFFFAOYSA-N 1 0 258.318 2.696 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000312466373 525558555 /nfs/dbraw/zinc/55/85/55/525558555.db2.gz QNVIKGNRWKGJFY-OUCADQQQSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000312632076 525611807 /nfs/dbraw/zinc/61/18/07/525611807.db2.gz QUDGWIPRDIBXNS-OBJOEFQTSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c(C[N@H+](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000156003516 525701050 /nfs/dbraw/zinc/70/10/50/525701050.db2.gz VNGIIIUSNCUGCN-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000367445785 525708207 /nfs/dbraw/zinc/70/82/07/525708207.db2.gz APEHWKHAMWOYIU-MRXNPFEDSA-N 1 0 290.363 2.906 20 5 CFBDRO Cc1c(C[NH2+]Cc2cncn2C(C)C)cccc1[N+](=O)[O-] ZINC000231884202 525725883 /nfs/dbraw/zinc/72/58/83/525725883.db2.gz UGBBWGWZESUTEI-UHFFFAOYSA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000361399465 525896789 /nfs/dbraw/zinc/89/67/89/525896789.db2.gz FUUMTCUFGIPLCB-DOMZBBRYSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170744934 526084504 /nfs/dbraw/zinc/08/45/04/526084504.db2.gz ORGFENHSZBSWPD-CJNGLKHVSA-N 1 0 289.379 2.826 20 5 CFBDRO CC(C)(C)[NH2+]CCNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000414714835 526330957 /nfs/dbraw/zinc/33/09/57/526330957.db2.gz QKCOIPNWOWOADS-UHFFFAOYSA-N 1 0 279.384 2.808 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000050443576 527333231 /nfs/dbraw/zinc/33/32/31/527333231.db2.gz WYQOCAXZRABTPK-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCOC2)c(Cl)c1 ZINC000230163480 527351680 /nfs/dbraw/zinc/35/16/80/527351680.db2.gz OIBNGHRTFCVBDG-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428078031 527358640 /nfs/dbraw/zinc/35/86/40/527358640.db2.gz QKZJZAWXNUTYTQ-KKTNHOPESA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1cccc(CNC2CC[NH+](C3CCC3)CC2)c1 ZINC000340424002 527385870 /nfs/dbraw/zinc/38/58/70/527385870.db2.gz APXVWWQMNKCGNU-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156164746 527389332 /nfs/dbraw/zinc/38/93/32/527389332.db2.gz SAEPOZRSVAQEKG-GHMZBOCLSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000174808330 527413612 /nfs/dbraw/zinc/41/36/12/527413612.db2.gz WQOJOTCSHYWLDA-UHFFFAOYSA-N 1 0 298.346 2.581 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000425989121 527501479 /nfs/dbraw/zinc/50/14/79/527501479.db2.gz JDSIVZRRRLRQDS-UGQYRENISA-N 1 0 290.363 2.701 20 5 CFBDRO CCN(CC)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192595443 528136985 /nfs/dbraw/zinc/13/69/85/528136985.db2.gz QMKSPXDAECRTBG-MRXNPFEDSA-N 1 0 291.395 2.904 20 5 CFBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cc1F ZINC000413161743 528165306 /nfs/dbraw/zinc/16/53/06/528165306.db2.gz DTRWLQVGGPRRTC-UHFFFAOYSA-N 1 0 273.333 2.563 20 5 CFBDRO CCC[C@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423182198 528240521 /nfs/dbraw/zinc/24/05/21/528240521.db2.gz GNGMMBPSPWIHJD-ZFWWWQNUSA-N 1 0 277.368 2.778 20 5 CFBDRO CC[NH2+]CCN[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423246508 528333237 /nfs/dbraw/zinc/33/32/37/528333237.db2.gz NLRAPIJMYYVEIP-LBPRGKRZSA-N 1 0 297.424 2.665 20 5 CFBDRO CC(C)C[C@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414851512 528517989 /nfs/dbraw/zinc/51/79/89/528517989.db2.gz OZLIHBOXGPRSDI-BRLPQQTGSA-N 1 0 277.368 2.571 20 5 CFBDRO CC(C)[C@@H]([NH3+])CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266232 528534010 /nfs/dbraw/zinc/53/40/10/528534010.db2.gz DGSUIZBLRWBZLH-LSDHHAIUSA-N 1 0 277.368 2.545 20 5 CFBDRO CCC(CC)C[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000174863347 528743008 /nfs/dbraw/zinc/74/30/08/528743008.db2.gz FQYZRKRCEQZLBN-UHFFFAOYSA-N 1 0 268.361 2.549 20 5 CFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414668755 528815152 /nfs/dbraw/zinc/81/51/52/528815152.db2.gz ZGPCATDSDHEKBR-LBPRGKRZSA-N 1 0 294.355 2.542 20 5 CFBDRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298274 528821262 /nfs/dbraw/zinc/82/12/62/528821262.db2.gz NWYOCMUPIBIVFR-AAEUAGOBSA-N 1 0 265.357 2.763 20 5 CFBDRO CCCC[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1C ZINC000414815336 528954187 /nfs/dbraw/zinc/95/41/87/528954187.db2.gz PDALZFNPUDWSRA-CYBMUJFWSA-N 1 0 265.357 2.510 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000131901829 529331920 /nfs/dbraw/zinc/33/19/20/529331920.db2.gz KNUMBPDSTWZRNB-OCCSQVGLSA-N 1 0 266.341 2.797 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449524870 536647518 /nfs/dbraw/zinc/64/75/18/536647518.db2.gz SOGUQVDBLUFFSD-ZIAGYGMSSA-N 1 0 264.325 2.560 20 5 CFBDRO COc1cc(C[NH2+]CCC2(F)CCC2)c([N+](=O)[O-])cc1O ZINC000342219200 536795838 /nfs/dbraw/zinc/79/58/38/536795838.db2.gz GBVUHNXQPMLITQ-UHFFFAOYSA-N 1 0 298.314 2.681 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000731033566 574108236 /nfs/dbraw/zinc/10/82/36/574108236.db2.gz YQVLQRRCEOQIHE-AWEZNQCLSA-N 1 0 295.358 2.696 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000733191083 574210368 /nfs/dbraw/zinc/21/03/68/574210368.db2.gz OXWONSZSJHZXIE-LBPRGKRZSA-N 1 0 295.770 2.921 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCCC[NH+](C)C ZINC000747767826 574211157 /nfs/dbraw/zinc/21/11/57/574211157.db2.gz HLONHKNQNCSTNL-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000733299528 574219815 /nfs/dbraw/zinc/21/98/15/574219815.db2.gz HGWOBKJTQMOVCX-LLVKDONJSA-N 1 0 281.331 2.701 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000729681865 574227928 /nfs/dbraw/zinc/22/79/28/574227928.db2.gz LLEVWCWFGMJTMC-ZDUSSCGKSA-N 1 0 277.368 2.512 20 5 CFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000748245832 574243045 /nfs/dbraw/zinc/24/30/45/574243045.db2.gz FAMKZEBVQUEABQ-HNNXBMFYSA-N 1 0 294.351 2.725 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756902197 574272010 /nfs/dbraw/zinc/27/20/10/574272010.db2.gz QVYHSHYUIZPHLB-RISCZKNCSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756902196 574272250 /nfs/dbraw/zinc/27/22/50/574272250.db2.gz QVYHSHYUIZPHLB-FZMZJTMJSA-N 1 0 294.326 2.735 20 5 CFBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000749393071 574293208 /nfs/dbraw/zinc/29/32/08/574293208.db2.gz VGAZQTOOJIUPKQ-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749668835 574304523 /nfs/dbraw/zinc/30/45/23/574304523.db2.gz ALKDVKLIQCXALP-UXIGCNINSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000742380876 574326169 /nfs/dbraw/zinc/32/61/69/574326169.db2.gz RZPGZNXEQUMYHX-KBPBESRZSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000742380878 574326185 /nfs/dbraw/zinc/32/61/85/574326185.db2.gz RZPGZNXEQUMYHX-UONOGXRCSA-N 1 0 278.352 2.808 20 5 CFBDRO COc1c(O)ccc(C[N@H+](CC(C)C)C2CC2)c1[N+](=O)[O-] ZINC000891667324 617701552 /nfs/dbraw/zinc/70/15/52/617701552.db2.gz CBCWVGWJKYTOSD-UHFFFAOYSA-N 1 0 294.351 2.929 20 5 CFBDRO CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)C(C)C ZINC000067366754 617722807 /nfs/dbraw/zinc/72/28/07/617722807.db2.gz LHULFXWZJFAKHG-LLVKDONJSA-N 1 0 268.361 2.732 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000891748874 617737514 /nfs/dbraw/zinc/73/75/14/617737514.db2.gz SMXZPEFVNSYSNM-UHFFFAOYSA-N 1 0 282.340 2.787 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC[C@@H]1C ZINC000932501872 617826059 /nfs/dbraw/zinc/82/60/59/617826059.db2.gz QRQTXRTZLSKSGY-SMDDNHRTSA-N 1 0 294.351 2.507 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000934018058 617867292 /nfs/dbraw/zinc/86/72/92/617867292.db2.gz LVQYICZNAJRDFE-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000934127803 617913141 /nfs/dbraw/zinc/91/31/41/617913141.db2.gz YZCKXTUPSVAQRZ-ZIAGYGMSSA-N 1 0 264.325 2.512 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCCS2)cc1 ZINC000158665382 618076444 /nfs/dbraw/zinc/07/64/44/618076444.db2.gz XRCUKNAYHDQCBH-ZIAGYGMSSA-N 1 0 296.392 2.504 20 5 CFBDRO C[C@@H]1OC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000926113430 618111690 /nfs/dbraw/zinc/11/16/90/618111690.db2.gz QDRCTJHBZHDWFN-GBIKHYSHSA-N 1 0 298.770 2.804 20 5 CFBDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000050370816 618116938 /nfs/dbraw/zinc/11/69/38/618116938.db2.gz RTIPWWWPMQCDLS-OLZOCXBDSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000235447398 618322579 /nfs/dbraw/zinc/32/25/79/618322579.db2.gz YPDJNTNLNCADKN-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893327659 618366331 /nfs/dbraw/zinc/36/63/31/618366331.db2.gz DLGLKGFFFYURRH-ZYHUDNBSSA-N 1 0 299.168 2.858 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000062351059 618375570 /nfs/dbraw/zinc/37/55/70/618375570.db2.gz NLJGKWHKDCJKBW-OAHLLOKOSA-N 1 0 278.352 2.893 20 5 CFBDRO Cc1c(C[NH2+]CCCCCCO)cccc1[N+](=O)[O-] ZINC000235754706 618429880 /nfs/dbraw/zinc/42/98/80/618429880.db2.gz HOYPCLFLRSGYQJ-UHFFFAOYSA-N 1 0 266.341 2.546 20 5 CFBDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931257381 618472312 /nfs/dbraw/zinc/47/23/12/618472312.db2.gz DAJPFYOQWMIJMB-CYBMUJFWSA-N 1 0 266.316 2.670 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000312729159 618474569 /nfs/dbraw/zinc/47/45/69/618474569.db2.gz IWZSEHZSLRCOHO-LBPRGKRZSA-N 1 0 279.296 2.781 20 5 CFBDRO C[NH+](C)CC[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000895331723 618538102 /nfs/dbraw/zinc/53/81/02/618538102.db2.gz WGCFUDXWEHCBKQ-SNVBAGLBSA-N 1 0 299.321 2.651 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000236085451 618604952 /nfs/dbraw/zinc/60/49/52/618604952.db2.gz YHIOQCJCDGNNAQ-OCCSQVGLSA-N 1 0 296.754 2.905 20 5 CFBDRO C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000311150243 618686337 /nfs/dbraw/zinc/68/63/37/618686337.db2.gz VPPZRDTXKZLKBE-VIFPVBQESA-N 1 0 271.748 2.858 20 5 CFBDRO C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000311150242 618686592 /nfs/dbraw/zinc/68/65/92/618686592.db2.gz VPPZRDTXKZLKBE-SECBINFHSA-N 1 0 271.748 2.858 20 5 CFBDRO CCON1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000926890019 618801797 /nfs/dbraw/zinc/80/17/97/618801797.db2.gz AAOIHWHANQVLAT-GFCCVEGCSA-N 1 0 293.367 2.661 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000092971865 618972178 /nfs/dbraw/zinc/97/21/78/618972178.db2.gz GJMREWUHLHMDSO-OCCSQVGLSA-N 1 0 278.352 2.639 20 5 CFBDRO CCOC(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000093446873 619023395 /nfs/dbraw/zinc/02/33/95/619023395.db2.gz RSCOQWAXBKDAAX-NSHDSACASA-N 1 0 282.340 2.645 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CCC2CC2)c1[N+](=O)[O-] ZINC000893648509 619144184 /nfs/dbraw/zinc/14/41/84/619144184.db2.gz HYHTZYDICMQWMF-JTQLQIEISA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980383 619210114 /nfs/dbraw/zinc/21/01/14/619210114.db2.gz YKRNPQBOKATABF-JQWIXIFHSA-N 1 0 298.770 2.841 20 5 CFBDRO Cc1cc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c([N+](=O)[O-])s1 ZINC000894803450 619469930 /nfs/dbraw/zinc/46/99/30/619469930.db2.gz YWSBIBSPIZDNBE-KBPBESRZSA-N 1 0 295.408 2.743 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)C2)c1 ZINC000895629666 619571655 /nfs/dbraw/zinc/57/16/55/619571655.db2.gz DKFSNVJKKQUTOL-VYDMZQQASA-N 1 0 290.367 2.663 20 5 CFBDRO CCC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895737493 619598100 /nfs/dbraw/zinc/59/81/00/619598100.db2.gz WMXOHBXPFFNSRB-PWSUYJOCSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000895738712 619598560 /nfs/dbraw/zinc/59/85/60/619598560.db2.gz YQTZZPAPAPMRPH-ZWNOBZJWSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896400761 619729601 /nfs/dbraw/zinc/72/96/01/619729601.db2.gz HSJDMSXPXNMCDY-KXGXSXBTSA-N 1 0 287.319 2.870 20 5 CFBDRO C[C@@H](NCc1nccn1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896509229 619747219 /nfs/dbraw/zinc/74/72/19/619747219.db2.gz BNUPRHCXHCUNBV-LLVKDONJSA-N 1 0 286.335 2.977 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000740861703 620152576 /nfs/dbraw/zinc/15/25/76/620152576.db2.gz XYUYGKCMWSJSHN-QWRGUYRKSA-N 1 0 274.324 2.632 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465933 620176974 /nfs/dbraw/zinc/17/69/74/620176974.db2.gz LGBUNMTXWZFXFD-MNOVXSKESA-N 1 0 266.366 2.793 20 5 CFBDRO CCOC1CC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465738 620177059 /nfs/dbraw/zinc/17/70/59/620177059.db2.gz HLWGLVHPLYWFIY-HIFPTAJRSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000897465870 620177168 /nfs/dbraw/zinc/17/71/68/620177168.db2.gz JULXSPVCUJCXMC-GFCCVEGCSA-N 1 0 273.336 2.827 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000897505251 620195017 /nfs/dbraw/zinc/19/50/17/620195017.db2.gz JSYDNAJWLXBUAA-CVEARBPZSA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c(F)c1 ZINC000897510480 620198555 /nfs/dbraw/zinc/19/85/55/620198555.db2.gz UQBWJGHQHOSGCW-HIFRSBDPSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000925308103 620241923 /nfs/dbraw/zinc/24/19/23/620241923.db2.gz BEBDIYFNAWWHOL-HOCLYGCPSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCC4(CC4)C3)C2)c1 ZINC000897772569 620279208 /nfs/dbraw/zinc/27/92/08/620279208.db2.gz YDEQYJQASDHLPX-HIFPTAJRSA-N 1 0 290.367 2.807 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cs1 ZINC000897952890 620310148 /nfs/dbraw/zinc/31/01/48/620310148.db2.gz KWBFELNTZVFSPN-OUAUKWLOSA-N 1 0 252.339 2.935 20 5 CFBDRO Cc1ncccc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000898257523 620365307 /nfs/dbraw/zinc/36/53/07/620365307.db2.gz XEEFGBWGNGRGCX-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]2C2CCCC2)cc1 ZINC000899912295 620612727 /nfs/dbraw/zinc/61/27/27/620612727.db2.gz HONWMVSCPNIABN-HZPDHXFCSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]2C2CCCC2)cc1 ZINC000899912293 620612930 /nfs/dbraw/zinc/61/29/30/620612930.db2.gz HONWMVSCPNIABN-CVEARBPZSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H](C[NH2+]CC1(O)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000901641970 620878876 /nfs/dbraw/zinc/87/88/76/620878876.db2.gz GZHSYMQNMAMNKS-ZDUSSCGKSA-N 1 0 292.379 2.983 20 5 CFBDRO CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902447517 621089910 /nfs/dbraw/zinc/08/99/10/621089910.db2.gz YVFWFXCMEFUFLE-GJZGRUSLSA-N 1 0 289.379 2.560 20 5 CFBDRO CCn1cnc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000902672296 621145258 /nfs/dbraw/zinc/14/52/58/621145258.db2.gz UYVWFWBSRVMZDV-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056742 621235877 /nfs/dbraw/zinc/23/58/77/621235877.db2.gz YDUQORPFOMXBMC-NSHDSACASA-N 1 0 282.340 2.681 20 5 CFBDRO COc1cc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083489 621246261 /nfs/dbraw/zinc/24/62/61/621246261.db2.gz IAQFTEJFJZXRCX-NWDGAFQWSA-N 1 0 295.383 2.594 20 5 CFBDRO COc1cc([C@@H](C)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000903085471 621246832 /nfs/dbraw/zinc/24/68/32/621246832.db2.gz CYKXZBQRTLUNPV-GFCCVEGCSA-N 1 0 295.383 2.594 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903110234 621256917 /nfs/dbraw/zinc/25/69/17/621256917.db2.gz BLSRVDJUYGMFPH-JTQLQIEISA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C2CC=CC2)cc([N+](=O)[O-])c1 ZINC000903110653 621257293 /nfs/dbraw/zinc/25/72/93/621257293.db2.gz FJKNRTHNUNAXJR-SNVBAGLBSA-N 1 0 262.309 2.973 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCC[C@H](C)CO)cc([N+](=O)[O-])c1 ZINC000903129888 621263253 /nfs/dbraw/zinc/26/32/53/621263253.db2.gz JIHRSHBLLZROCI-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903147094 621268452 /nfs/dbraw/zinc/26/84/52/621268452.db2.gz FCNNAZFHNDORLE-NWDGAFQWSA-N 1 0 294.351 2.681 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903247630 621305444 /nfs/dbraw/zinc/30/54/44/621305444.db2.gz WSHSIWDPQHIMRF-HKUMRIAESA-N 1 0 278.352 2.711 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903301196 621315485 /nfs/dbraw/zinc/31/54/85/621315485.db2.gz OHBZHEYCRGRRPY-HUBLWGQQSA-N 1 0 277.368 2.646 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286843 621318706 /nfs/dbraw/zinc/31/87/06/621318706.db2.gz ICZMUSOUUHCTFD-OZVIIMIRSA-N 1 0 289.379 2.728 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903333421 621331959 /nfs/dbraw/zinc/33/19/59/621331959.db2.gz ZJAAOSRGXXKKJM-UWVGGRQHSA-N 1 0 281.356 2.641 20 5 CFBDRO CC[C@H]([NH2+]C1CC(CCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000903328592 621340063 /nfs/dbraw/zinc/34/00/63/621340063.db2.gz MLMPBPZYNGLUQH-HGMXIMQMSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(CCO)C1 ZINC000903330221 621341193 /nfs/dbraw/zinc/34/11/93/621341193.db2.gz QJDROECBFHUZQC-HIFPTAJRSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]1COC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903394011 621353086 /nfs/dbraw/zinc/35/30/86/621353086.db2.gz XEROSOMIRASOCJ-WKPIXPDZSA-N 1 0 290.363 2.942 20 5 CFBDRO CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406308 621361770 /nfs/dbraw/zinc/36/17/70/621361770.db2.gz UYNKWFDGVCVNOW-HUUCEWRRSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000903406224 621361782 /nfs/dbraw/zinc/36/17/82/621361782.db2.gz TVAVUZMBLJEFTB-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903435956 621374351 /nfs/dbraw/zinc/37/43/51/621374351.db2.gz GFXDDWUCZCNEMB-NZVBXONLSA-N 1 0 276.336 2.670 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557452 621397293 /nfs/dbraw/zinc/39/72/93/621397293.db2.gz OHLNDSKUUKNVFB-SMDDNHRTSA-N 1 0 277.368 2.633 20 5 CFBDRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903854480 621456388 /nfs/dbraw/zinc/45/63/88/621456388.db2.gz JIGLLLFMDWZIOY-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[N+](=O)[O-] ZINC000905084498 621692206 /nfs/dbraw/zinc/69/22/06/621692206.db2.gz ZYIGMEXGRRLYKN-MRVPVSSYSA-N 1 0 277.151 2.791 20 5 CFBDRO Cc1ccc(C[C@@H](NCC[N+](=O)[O-])c2ccccn2)cc1 ZINC000905122494 621703903 /nfs/dbraw/zinc/70/39/03/621703903.db2.gz PKDYKHICELANEU-MRXNPFEDSA-N 1 0 285.347 2.540 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000905244362 621726512 /nfs/dbraw/zinc/72/65/12/621726512.db2.gz PZFLCQDROYUTJG-GXSJLCMTSA-N 1 0 275.135 2.716 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000905401894 621759354 /nfs/dbraw/zinc/75/93/54/621759354.db2.gz XMVAYNHAJZKBLD-INIZCTEOSA-N 1 0 274.364 2.822 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1 ZINC000905508254 621783543 /nfs/dbraw/zinc/78/35/43/621783543.db2.gz HQWYILGNCKQIND-KCXAZCMYSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCC=CCC2)c1 ZINC000905623558 621800554 /nfs/dbraw/zinc/80/05/54/621800554.db2.gz JZKCWUJJLSTQEA-INIZCTEOSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCC3(CC3)C2)c1 ZINC000905663698 621812548 /nfs/dbraw/zinc/81/25/48/621812548.db2.gz OTTJGQMACNSTKC-ZFWWWQNUSA-N 1 0 290.363 2.941 20 5 CFBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905851928 621888724 /nfs/dbraw/zinc/88/87/24/621888724.db2.gz DHQILTJENQVSNL-UTUOFQBUSA-N 1 0 293.367 2.549 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000224431137 623003616 /nfs/dbraw/zinc/00/36/16/623003616.db2.gz KHAALJMZCKDURM-LEWSCRJBSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000166147206 623003901 /nfs/dbraw/zinc/00/39/01/623003901.db2.gz BZGZGGUBIHAXMB-SNVBAGLBSA-N 1 0 296.714 2.954 20 5 CFBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000225511849 623043250 /nfs/dbraw/zinc/04/32/50/623043250.db2.gz VDCWFWGLAZUZLN-NEPJUHHUSA-N 1 0 266.366 2.969 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226744012 623089055 /nfs/dbraw/zinc/08/90/55/623089055.db2.gz NPLKIUHCJZSEAU-UHFFFAOYSA-N 1 0 286.759 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC23CC3)cc1Cl ZINC000822497804 623116340 /nfs/dbraw/zinc/11/63/40/623116340.db2.gz LUQZURNURPLGNA-LLVKDONJSA-N 1 0 252.701 2.890 20 5 CFBDRO Cc1ccc(-c2noc(CCCCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722908 623160276 /nfs/dbraw/zinc/16/02/76/623160276.db2.gz LRGLFIWQGGTGQM-UHFFFAOYSA-N 1 0 290.323 2.625 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@H+](CC1CC1)C1CCCCC1 ZINC000171214535 623211506 /nfs/dbraw/zinc/21/15/06/623211506.db2.gz OIYSACCVMAATFY-UHFFFAOYSA-N 1 0 278.356 2.794 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CSCCS2)cccc1[N+](=O)[O-] ZINC000229605157 623213988 /nfs/dbraw/zinc/21/39/88/623213988.db2.gz IQLSJZMLQUFWMQ-GFCCVEGCSA-N 1 0 298.433 2.841 20 5 CFBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351078 623265707 /nfs/dbraw/zinc/26/57/07/623265707.db2.gz WALKLBRQKLLUCJ-INIZCTEOSA-N 1 0 286.331 2.760 20 5 CFBDRO COC(C)(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000231024763 623317699 /nfs/dbraw/zinc/31/76/99/623317699.db2.gz VRQXYAHHPNLQPP-UHFFFAOYSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883910 623373416 /nfs/dbraw/zinc/37/34/16/623373416.db2.gz ATVAPWXVVLJOLY-QWRGUYRKSA-N 1 0 278.352 2.949 20 5 CFBDRO CC(C)[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153288250 623913376 /nfs/dbraw/zinc/91/33/76/623913376.db2.gz QNOMBIZBUZEYAW-LBPRGKRZSA-N 1 0 266.345 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1Cl ZINC000827359919 623993050 /nfs/dbraw/zinc/99/30/50/623993050.db2.gz WHJPYRHOYBLROK-GFCCVEGCSA-N 1 0 298.770 2.746 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2ccccn2)c1 ZINC000035368107 624073033 /nfs/dbraw/zinc/07/30/33/624073033.db2.gz LKHDSERLZLNKCI-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO CSCC[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154557618 624392864 /nfs/dbraw/zinc/39/28/64/624392864.db2.gz NYKWWFMKFUHOQE-FZMZJTMJSA-N 1 0 298.408 2.702 20 5 CFBDRO CSCC[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154557734 624392883 /nfs/dbraw/zinc/39/28/83/624392883.db2.gz NYKWWFMKFUHOQE-RISCZKNCSA-N 1 0 298.408 2.702 20 5 CFBDRO CCCCOC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830156802 624647665 /nfs/dbraw/zinc/64/76/65/624647665.db2.gz ZEYDZGCRDBZOQA-LBPRGKRZSA-N 1 0 294.351 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(/C=C/SCC2CC[NH2+]CC2)o1 ZINC000830477436 624756833 /nfs/dbraw/zinc/75/68/33/624756833.db2.gz PCSVDIYMHIMTRQ-VMPITWQZSA-N 1 0 268.338 2.891 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000831533715 625044620 /nfs/dbraw/zinc/04/46/20/625044620.db2.gz KBTDBPHPFYNCIR-IINYFYTJSA-N 1 0 282.315 2.591 20 5 CFBDRO CSCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829130 625777693 /nfs/dbraw/zinc/77/76/93/625777693.db2.gz WXSVTOCLZONIHB-UHFFFAOYSA-N 1 0 260.746 2.701 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC2OCCCO2)cc1[N+](=O)[O-] ZINC000922277521 626257322 /nfs/dbraw/zinc/25/73/22/626257322.db2.gz UMJCCDJBNIDLKK-UHFFFAOYSA-N 1 0 294.351 2.571 20 5 CFBDRO C[C@@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000922542302 626306789 /nfs/dbraw/zinc/30/67/89/626306789.db2.gz UGBUIWHPMGZALS-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000922556855 626310932 /nfs/dbraw/zinc/31/09/32/626310932.db2.gz GQLUBMAIAMQKEO-SHAKEMSNSA-N 1 0 289.379 2.680 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cccc1[N+](=O)[O-] ZINC000922718655 626350366 /nfs/dbraw/zinc/35/03/66/626350366.db2.gz YRMFXLPVXRMRIL-ZNMIVQPWSA-N 1 0 288.347 2.584 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000922836008 626376386 /nfs/dbraw/zinc/37/63/86/626376386.db2.gz JZNJWHJUSIEFGL-PWSUYJOCSA-N 1 0 296.392 2.977 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000922843657 626378779 /nfs/dbraw/zinc/37/87/79/626378779.db2.gz UQMIBTVHGUHEJP-CMPLNLGQSA-N 1 0 266.366 2.969 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000922892163 626413640 /nfs/dbraw/zinc/41/36/40/626413640.db2.gz NUUSATRUMMNJEH-GOEBONIOSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)c(F)c1 ZINC000923030350 626444154 /nfs/dbraw/zinc/44/41/54/626444154.db2.gz GHPZJOPFBYEMBR-XHDPSFHLSA-N 1 0 292.310 2.535 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839191890 626530839 /nfs/dbraw/zinc/53/08/39/626530839.db2.gz LQJQGRFUIHXPIJ-AWEZNQCLSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924704 626702651 /nfs/dbraw/zinc/70/26/51/626702651.db2.gz ZGPQSOWEKPQKIR-DOMZBBRYSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H](CC[NH+](C)C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524169 626842296 /nfs/dbraw/zinc/84/22/96/626842296.db2.gz WNCOBPZRMUFMKS-SNVBAGLBSA-N 1 0 285.775 2.678 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520967 626842405 /nfs/dbraw/zinc/84/24/05/626842405.db2.gz HEKGKRWXESUEJX-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000763267898 626974783 /nfs/dbraw/zinc/97/47/83/626974783.db2.gz MNXQFPDEIQPQMY-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000764768515 627092466 /nfs/dbraw/zinc/09/24/66/627092466.db2.gz KEVHPEFIORMFNI-KBPBESRZSA-N 1 0 290.319 2.962 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272565 627189556 /nfs/dbraw/zinc/18/95/56/627189556.db2.gz YWAVGOKXJINYJS-CHWSQXEVSA-N 1 0 277.368 2.730 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000767002839 627230848 /nfs/dbraw/zinc/23/08/48/627230848.db2.gz YUUSIVYSEXTMGJ-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CCCCC[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000767763191 627282804 /nfs/dbraw/zinc/28/28/04/627282804.db2.gz RZAHMUVSUKOFKD-GFCCVEGCSA-N 1 0 266.345 2.794 20 5 CFBDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869955 634565926 /nfs/dbraw/zinc/56/59/26/634565926.db2.gz WOJDZTGCIGPNBA-CHWSQXEVSA-N 1 0 276.336 2.520 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771459443 627606024 /nfs/dbraw/zinc/60/60/24/627606024.db2.gz KHMRGLCBTWKWDW-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO CC1(C)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581510 628160428 /nfs/dbraw/zinc/16/04/28/628160428.db2.gz IVSZQAYJEFKQFO-AWEZNQCLSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585961 628161029 /nfs/dbraw/zinc/16/10/29/628161029.db2.gz FOBIKTCNIBNOSL-GJZGRUSLSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000776584291 628161144 /nfs/dbraw/zinc/16/11/44/628161144.db2.gz KIBVIDBZZYHBLC-LALPHHSUSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000776587086 628162215 /nfs/dbraw/zinc/16/22/15/628162215.db2.gz DYJXQVKDMQPFDW-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO CC[C@H](C)C[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592562 628162941 /nfs/dbraw/zinc/16/29/41/628162941.db2.gz PWIQCIYJFWBKMB-WFASDCNBSA-N 1 0 280.368 2.996 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599228 628164020 /nfs/dbraw/zinc/16/40/20/628164020.db2.gz XODGVYFLMKFKGC-LNSITVRQSA-N 1 0 278.352 2.891 20 5 CFBDRO CC[C@@H](CSC)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605500 628164123 /nfs/dbraw/zinc/16/41/23/628164123.db2.gz LNPRCCLPOLXUSB-JSGCOSHPSA-N 1 0 298.408 2.702 20 5 CFBDRO C[C@H](C1CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000777401236 628222422 /nfs/dbraw/zinc/22/24/22/628222422.db2.gz MOCMOKPIVSZKRR-GFCCVEGCSA-N 1 0 275.352 2.515 20 5 CFBDRO CC(C)(C(=O)OCc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000805615949 628330988 /nfs/dbraw/zinc/33/09/88/628330988.db2.gz MAWHEIPZUXUTJT-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000779858787 628414818 /nfs/dbraw/zinc/41/48/18/628414818.db2.gz FLGZEZSMTBFDIG-GFCCVEGCSA-N 1 0 266.345 2.568 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC=CO1 ZINC000780570922 628478517 /nfs/dbraw/zinc/47/85/17/628478517.db2.gz SPPWDTSLYVOAPX-HZRUHFOJSA-N 1 0 274.320 2.890 20 5 CFBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659056 628731792 /nfs/dbraw/zinc/73/17/92/628731792.db2.gz FYLYMOQUIXPDID-PWSUYJOCSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000784352436 628808769 /nfs/dbraw/zinc/80/87/69/628808769.db2.gz NXIGTWVWAVMROG-SWLSCSKDSA-N 1 0 292.379 2.996 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000786578872 628969510 /nfs/dbraw/zinc/96/95/10/628969510.db2.gz KOHIBICYSNVSQR-DTWKUNHWSA-N 1 0 272.732 2.761 20 5 CFBDRO CSC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788796666 629100500 /nfs/dbraw/zinc/10/05/00/629100500.db2.gz SWFMDIIVHQQHHO-VIFPVBQESA-N 1 0 281.381 2.723 20 5 CFBDRO CSC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788796665 629100583 /nfs/dbraw/zinc/10/05/83/629100583.db2.gz SWFMDIIVHQQHHO-SECBINFHSA-N 1 0 281.381 2.723 20 5 CFBDRO CC[C@H](C)[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290434 634712295 /nfs/dbraw/zinc/71/22/95/634712295.db2.gz IAEUIDBDNUFBBM-SMDDNHRTSA-N 1 0 266.341 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000790265728 629223889 /nfs/dbraw/zinc/22/38/89/629223889.db2.gz VKXWCULACAISFF-UHFFFAOYSA-N 1 0 297.270 2.770 20 5 CFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000790757062 629260340 /nfs/dbraw/zinc/26/03/40/629260340.db2.gz BGDGDNCDRPCBOV-CYZMBNFOSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000835086875 629386148 /nfs/dbraw/zinc/38/61/48/629386148.db2.gz MUZSLNHEMOIWAZ-MWLCHTKSSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CCO ZINC000852461033 634749751 /nfs/dbraw/zinc/74/97/51/634749751.db2.gz FMZRVAJPEMXSTR-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO C[NH+]1CCC2(CCCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000798404860 630187675 /nfs/dbraw/zinc/18/76/75/630187675.db2.gz QHBDJTQMKRQUMS-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO CC(C)[C@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000798819605 630242674 /nfs/dbraw/zinc/24/26/74/630242674.db2.gz CEFBQBWKIVYJPT-BXUZGUMPSA-N 1 0 294.351 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000798963485 630265664 /nfs/dbraw/zinc/26/56/64/630265664.db2.gz FQWNOFQYSJIAGJ-AWEZNQCLSA-N 1 0 283.331 2.979 20 5 CFBDRO CN(CC1=CCSC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852747538 634821674 /nfs/dbraw/zinc/82/16/74/634821674.db2.gz MZLIBOGRNJJTCL-UHFFFAOYSA-N 1 0 282.340 2.839 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000803613681 630631176 /nfs/dbraw/zinc/63/11/76/630631176.db2.gz IVPFRIWFEJEOQY-JTQLQIEISA-N 1 0 293.367 2.781 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000808447236 630993310 /nfs/dbraw/zinc/99/33/10/630993310.db2.gz YEGXRMJHRRLDEU-BLLLJJGKSA-N 1 0 286.331 2.807 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC=CO1 ZINC000809689302 631263914 /nfs/dbraw/zinc/26/39/14/631263914.db2.gz XHQNNSFAFRNNRW-AWEZNQCLSA-N 1 0 276.336 2.762 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]3CCC2CC3)cc1Cl ZINC000809743303 631276407 /nfs/dbraw/zinc/27/64/07/631276407.db2.gz VRDLGVSUNUFWHZ-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000841034344 631314643 /nfs/dbraw/zinc/31/46/43/631314643.db2.gz XFWBKIQHOBXAIS-GHMZBOCLSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCC[NH2+]C1 ZINC000841056116 631323337 /nfs/dbraw/zinc/32/33/37/631323337.db2.gz CBNFBPPYLLQSBQ-CQSZACIVSA-N 1 0 297.786 2.728 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056093 631324729 /nfs/dbraw/zinc/32/47/29/631324729.db2.gz XQMWLBMGOBTIBU-MNOVXSKESA-N 1 0 283.759 2.608 20 5 CFBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841087337 631336050 /nfs/dbraw/zinc/33/60/50/631336050.db2.gz KKIJWBBUWFIYKE-LBPRGKRZSA-N 1 0 285.775 2.711 20 5 CFBDRO C[NH+](C)C1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000842046976 631512370 /nfs/dbraw/zinc/51/23/70/631512370.db2.gz LKDGJIZSXJCYFL-UHFFFAOYSA-N 1 0 292.364 2.711 20 5 CFBDRO CCc1ccc(-c2nc([C@@H](C)C[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000842579272 631668925 /nfs/dbraw/zinc/66/89/25/631668925.db2.gz GQOHCDGCGJBFIJ-VIFPVBQESA-N 1 0 290.323 2.530 20 5 CFBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000842583710 631672172 /nfs/dbraw/zinc/67/21/72/631672172.db2.gz ZIMJLWIYQQUWOJ-SNVBAGLBSA-N 1 0 290.323 2.585 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842929591 631783703 /nfs/dbraw/zinc/78/37/03/631783703.db2.gz NPNDVHYOLGWXPY-SBMIAAHKSA-N 1 0 281.381 2.722 20 5 CFBDRO [NH3+]C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843047880 631813159 /nfs/dbraw/zinc/81/31/59/631813159.db2.gz ZZCHOGNKMYHZFG-LBPRGKRZSA-N 1 0 283.759 2.561 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(C3CCC3)CC2)c1 ZINC000844416964 632201342 /nfs/dbraw/zinc/20/13/42/632201342.db2.gz GKVBWUQJEVBRNE-AWEZNQCLSA-N 1 0 276.336 2.551 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585292 632292279 /nfs/dbraw/zinc/29/22/79/632292279.db2.gz CSLSZYQJOABYNA-MWLCHTKSSA-N 1 0 281.381 2.723 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815586593 632293030 /nfs/dbraw/zinc/29/30/30/632293030.db2.gz MOXVBFMPKXAMAD-CKQAKLJMSA-N 1 0 293.367 2.521 20 5 CFBDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589632 632293262 /nfs/dbraw/zinc/29/32/62/632293262.db2.gz YUWPKCDXFRREIH-SECBINFHSA-N 1 0 292.364 2.527 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)CC(C)C)n1 ZINC000845577879 632468251 /nfs/dbraw/zinc/46/82/51/632468251.db2.gz ADWXPACIBORSPO-UHFFFAOYSA-N 1 0 280.372 2.688 20 5 CFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660711 632506056 /nfs/dbraw/zinc/50/60/56/632506056.db2.gz MWYAWDROSLGAKW-HZMBPMFUSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000819120108 632974187 /nfs/dbraw/zinc/97/41/87/632974187.db2.gz KVOWTKHMKOJIHT-INIZCTEOSA-N 1 0 290.363 2.654 20 5 CFBDRO CC(C)CSCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819188197 633008349 /nfs/dbraw/zinc/00/83/49/633008349.db2.gz CTSWRELDKZESFX-CQSZACIVSA-N 1 0 298.408 2.607 20 5 CFBDRO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848526258 633276947 /nfs/dbraw/zinc/27/69/47/633276947.db2.gz VAYVUVOGQHOCSK-NHYWBVRUSA-N 1 0 298.346 2.593 20 5 CFBDRO CCCCCCNC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000849009988 633458708 /nfs/dbraw/zinc/45/87/08/633458708.db2.gz RGUWOABCIHIQNQ-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367512 633957377 /nfs/dbraw/zinc/95/73/77/633957377.db2.gz LRKRQERTZGTQHK-XSHSDMCLSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388571 633972523 /nfs/dbraw/zinc/97/25/23/633972523.db2.gz OCVVNSYSXDUFJG-CHWSQXEVSA-N 1 0 296.754 2.641 20 5 CFBDRO CCC[N@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492884 635016750 /nfs/dbraw/zinc/01/67/50/635016750.db2.gz DTLPWFYCMPNCRR-UHFFFAOYSA-N 1 0 289.339 2.543 20 5 CFBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000853605982 635048185 /nfs/dbraw/zinc/04/81/85/635048185.db2.gz OUVDFJAINXSASO-CYBMUJFWSA-N 1 0 278.356 2.794 20 5 CFBDRO C[N@H+](C[C@@H]1CC1(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853627072 635052091 /nfs/dbraw/zinc/05/20/91/635052091.db2.gz NHKNRUQWJFNIJI-LBPRGKRZSA-N 1 0 288.351 2.880 20 5 CFBDRO C[N@H+](C[C@H]1CC1(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853626670 635052179 /nfs/dbraw/zinc/05/21/79/635052179.db2.gz DGGGQWKGLANQHU-GFCCVEGCSA-N 1 0 288.351 2.880 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000853687289 635075409 /nfs/dbraw/zinc/07/54/09/635075409.db2.gz SFSSZKLDYDBBIC-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857086117 635927345 /nfs/dbraw/zinc/92/73/45/635927345.db2.gz IXSPNIYNLSBEJL-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512572 636017469 /nfs/dbraw/zinc/01/74/69/636017469.db2.gz NCYJDEQTLAAUDP-JSGCOSHPSA-N 1 0 286.335 2.627 20 5 CFBDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000858474684 636261652 /nfs/dbraw/zinc/26/16/52/636261652.db2.gz CQJIGADEEUEIJC-GWCFXTLKSA-N 1 0 290.319 2.507 20 5 CFBDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000858475053 636262133 /nfs/dbraw/zinc/26/21/33/636262133.db2.gz GJNSHUQHYGMCRH-ZWNOBZJWSA-N 1 0 290.319 2.507 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858485365 636267729 /nfs/dbraw/zinc/26/77/29/636267729.db2.gz LUVHWMWCPXALIN-AAEUAGOBSA-N 1 0 295.383 2.625 20 5 CFBDRO CCCCC[N@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000116256273 636323813 /nfs/dbraw/zinc/32/38/13/636323813.db2.gz XJSARVVFMCWSRA-UHFFFAOYSA-N 1 0 254.334 2.649 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000863578541 637700696 /nfs/dbraw/zinc/70/06/96/637700696.db2.gz NFTZBNAWFFEXNC-XJKSGUPXSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CC=CCC2)cc1 ZINC000863578208 637700803 /nfs/dbraw/zinc/70/08/03/637700803.db2.gz HHUHIXLGHOYYDW-CJNGLKHVSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000865698651 638522299 /nfs/dbraw/zinc/52/22/99/638522299.db2.gz DYSJYBACMFJINY-QWHCGFSZSA-N 1 0 252.289 2.965 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000865734691 638544258 /nfs/dbraw/zinc/54/42/58/638544258.db2.gz KMJFMXIOWJPRIV-UMSPYCQHSA-N 1 0 252.339 2.578 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000865760906 638559044 /nfs/dbraw/zinc/55/90/44/638559044.db2.gz IMZVUDWNHQCOSS-GOEBONIOSA-N 1 0 290.363 2.890 20 5 CFBDRO CC(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866212480 638771801 /nfs/dbraw/zinc/77/18/01/638771801.db2.gz KSWVVENUFGADIZ-JTQLQIEISA-N 1 0 254.305 2.911 20 5 CFBDRO CCN(CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215474 638772128 /nfs/dbraw/zinc/77/21/28/638772128.db2.gz XXWWGMMYAXINFX-GFCCVEGCSA-N 1 0 297.374 2.596 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866261843 638783156 /nfs/dbraw/zinc/78/31/56/638783156.db2.gz XOMFTVYROAYIEW-VIFPVBQESA-N 1 0 293.298 2.751 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264685 638783732 /nfs/dbraw/zinc/78/37/32/638783732.db2.gz DECIFSQAFQVBIV-PGUXBMHVSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000866265988 638784204 /nfs/dbraw/zinc/78/42/04/638784204.db2.gz AQGXLBAHAGFLMB-WDBKCZKBSA-N 1 0 296.342 2.558 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265711 638784341 /nfs/dbraw/zinc/78/43/41/638784341.db2.gz QOGCBYWLOMXXTK-ABAIWWIYSA-N 1 0 298.358 2.662 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274542 638786733 /nfs/dbraw/zinc/78/67/33/638786733.db2.gz NUGHCZZBNCQWQQ-FZMZJTMJSA-N 1 0 298.358 2.662 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866281557 638788637 /nfs/dbraw/zinc/78/86/37/638788637.db2.gz RCHMWLMSNXJDKB-NWDGAFQWSA-N 1 0 298.358 2.663 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866300831 638791731 /nfs/dbraw/zinc/79/17/31/638791731.db2.gz FAEOVYURVJDDBS-FZMZJTMJSA-N 1 0 298.358 2.806 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345016 638800425 /nfs/dbraw/zinc/80/04/25/638800425.db2.gz FCBQXRPWZGWUOS-OUAUKWLOSA-N 1 0 284.331 2.678 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866360593 638803903 /nfs/dbraw/zinc/80/39/03/638803903.db2.gz FCBQXRPWZGWUOS-HBNTYKKESA-N 1 0 284.331 2.678 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866362785 638804325 /nfs/dbraw/zinc/80/43/25/638804325.db2.gz DHFMBKJRZBLLJG-VXGBXAGGSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000866368910 638806941 /nfs/dbraw/zinc/80/69/41/638806941.db2.gz FYKSVWJRVNUNPC-JTNHKYCSSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC12CC2 ZINC000866379554 638809532 /nfs/dbraw/zinc/80/95/32/638809532.db2.gz PVZXYXQNGOMIMC-RNCFNFMXSA-N 1 0 264.300 2.807 20 5 CFBDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cccc([N+](=O)[O-])c1 ZINC000866447460 638823852 /nfs/dbraw/zinc/82/38/52/638823852.db2.gz JHNHEDZHSGPHPF-QBHINQIDSA-N 1 0 288.347 2.669 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000866487930 638829686 /nfs/dbraw/zinc/82/96/86/638829686.db2.gz IGYDAJAVGMANDI-LSJOCFKGSA-N 1 0 281.381 2.722 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000866540397 638838696 /nfs/dbraw/zinc/83/86/96/638838696.db2.gz NSOYHHXGBLVYPU-CYBMUJFWSA-N 1 0 288.351 2.668 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866582119 638848384 /nfs/dbraw/zinc/84/83/84/638848384.db2.gz DLKMRKMGMGNEOP-INWMFGNUSA-N 1 0 289.379 2.682 20 5 CFBDRO CCN1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000121758844 638890752 /nfs/dbraw/zinc/89/07/52/638890752.db2.gz ZMMMPQZTFNXGFT-AWEZNQCLSA-N 1 0 292.335 2.512 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC4(CCC4)C3)c2c1 ZINC000121836941 638897714 /nfs/dbraw/zinc/89/77/14/638897714.db2.gz PDWNVJNCVOLIIB-UHFFFAOYSA-N 1 0 286.335 2.778 20 5 CFBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000122169133 638949168 /nfs/dbraw/zinc/94/91/68/638949168.db2.gz IEQZNQJDUPWFIR-LBPRGKRZSA-N 1 0 266.345 2.649 20 5 CFBDRO C[C@H]([NH2+]CCCn1cccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021247 641551863 /nfs/dbraw/zinc/55/18/63/641551863.db2.gz PIXYZBQEKRUSIL-NSHDSACASA-N 1 0 292.314 2.671 20 5 CFBDRO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025939 641556781 /nfs/dbraw/zinc/55/67/81/641556781.db2.gz WBBGXIZRNZPQOG-NEPJUHHUSA-N 1 0 295.358 2.726 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026110 641557927 /nfs/dbraw/zinc/55/79/27/641557927.db2.gz AXZLKRISFJOMNA-VHSXEESVSA-N 1 0 270.304 2.667 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027947 641558087 /nfs/dbraw/zinc/55/80/87/641558087.db2.gz GZZQALARGICEOE-GHMZBOCLSA-N 1 0 283.347 2.725 20 5 CFBDRO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034519 641566179 /nfs/dbraw/zinc/56/61/79/641566179.db2.gz PJSWNVCXHKKSRP-WDEREUQCSA-N 1 0 295.358 2.867 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872035791 641568823 /nfs/dbraw/zinc/56/88/23/641568823.db2.gz YZTALWIKQNDGTE-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037464 641570668 /nfs/dbraw/zinc/57/06/68/641570668.db2.gz BVARWFSEGYSYTE-PWSUYJOCSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039765 641574525 /nfs/dbraw/zinc/57/45/25/641574525.db2.gz GYKVRMZDSPRGMY-NEPJUHHUSA-N 1 0 295.358 2.726 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CC1 ZINC000872040155 641574859 /nfs/dbraw/zinc/57/48/59/641574859.db2.gz LAHBRQNRWRSSBS-JTQLQIEISA-N 1 0 296.392 2.740 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC1 ZINC000872052854 641587262 /nfs/dbraw/zinc/58/72/62/641587262.db2.gz QSVQBSCXQXGHTG-NSHDSACASA-N 1 0 295.408 2.673 20 5 CFBDRO C[C@@H](NCC1=CC[N@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054604 641589205 /nfs/dbraw/zinc/58/92/05/641589205.db2.gz ZPTCJFLKDSZHPI-LLVKDONJSA-N 1 0 293.342 2.646 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064580 641596710 /nfs/dbraw/zinc/59/67/10/641596710.db2.gz IDGVODVPUTWFAQ-HBNTYKKESA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065819 641598021 /nfs/dbraw/zinc/59/80/21/641598021.db2.gz HAGNBJJXYMXDLW-KPPDAEKUSA-N 1 0 282.315 2.546 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071148 641602807 /nfs/dbraw/zinc/60/28/07/641602807.db2.gz LALSCIXDZLLQLA-WDEREUQCSA-N 1 0 284.331 2.649 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078880 641611297 /nfs/dbraw/zinc/61/12/97/641611297.db2.gz TYFKJWAKYBDMEY-GBIKHYSHSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083876 641617950 /nfs/dbraw/zinc/61/79/50/641617950.db2.gz BSAVATYGWQKYNJ-XDTLVQLUSA-N 1 0 294.326 2.688 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000872091828 641624663 /nfs/dbraw/zinc/62/46/63/641624663.db2.gz KOZSJBLUZQRWQR-XDTLVQLUSA-N 1 0 296.392 2.881 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094069 641625738 /nfs/dbraw/zinc/62/57/38/641625738.db2.gz YQDDVRMNOLWOBD-WDEREUQCSA-N 1 0 284.331 2.936 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094982 641626334 /nfs/dbraw/zinc/62/63/34/641626334.db2.gz QKFKPFFEGGETNE-HBNTYKKESA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000872129803 641657749 /nfs/dbraw/zinc/65/77/49/641657749.db2.gz UVKVZUSXEAUBKQ-RDBSUJKOSA-N 1 0 289.379 2.872 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000872218459 641706645 /nfs/dbraw/zinc/70/66/45/641706645.db2.gz OGILMEWTXRWBGT-ZIAGYGMSSA-N 1 0 276.336 2.551 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC000872248820 641716768 /nfs/dbraw/zinc/71/67/68/641716768.db2.gz WXIQFZXKEFKZDH-CZUORRHYSA-N 1 0 290.363 2.964 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780610 641935232 /nfs/dbraw/zinc/93/52/32/641935232.db2.gz MNDANOIGBSILOG-QWHCGFSZSA-N 1 0 293.342 2.715 20 5 CFBDRO Cc1nn(C[N@@H+](C)C[C@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000872818141 641945822 /nfs/dbraw/zinc/94/58/22/641945822.db2.gz GZJGSMVCAUKJKR-JTQLQIEISA-N 1 0 282.388 2.980 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000873051198 641996855 /nfs/dbraw/zinc/99/68/55/641996855.db2.gz DRMFWQFZXOLMEY-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO CCn1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000873054124 641997586 /nfs/dbraw/zinc/99/75/86/641997586.db2.gz LWINRFNOFZBJLO-UHFFFAOYSA-N 1 0 288.351 2.718 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOC1CCC1 ZINC000873063738 641999502 /nfs/dbraw/zinc/99/95/02/641999502.db2.gz CQVLCPKZTSLIEP-UHFFFAOYSA-N 1 0 278.352 2.870 20 5 CFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873101783 642013633 /nfs/dbraw/zinc/01/36/33/642013633.db2.gz YLNGARFTOCEYSF-HIFRSBDPSA-N 1 0 278.352 2.808 20 5 CFBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873101785 642014188 /nfs/dbraw/zinc/01/41/88/642014188.db2.gz YLNGARFTOCEYSF-ZFWWWQNUSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000873126242 642020013 /nfs/dbraw/zinc/02/00/13/642020013.db2.gz PSGMMXZVAQTRSZ-OCCSQVGLSA-N 1 0 292.379 2.974 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000873132295 642023682 /nfs/dbraw/zinc/02/36/82/642023682.db2.gz NXLMTWJRXVPVOA-GXTWGEPZSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1c(C[NH2+]CCCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000873132247 642023719 /nfs/dbraw/zinc/02/37/19/642023719.db2.gz MHHYXFOXBJFXMI-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO Cc1c(C[NH2+]CC[C@@H](O)C2CCCC2)cccc1[N+](=O)[O-] ZINC000873152424 642033391 /nfs/dbraw/zinc/03/33/91/642033391.db2.gz OTEXCNNSZSEBKI-MRXNPFEDSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1ccc(CN[C@@H](C)c2c[nH+]ccc2N)cc1[N+](=O)[O-] ZINC000873253333 642098608 /nfs/dbraw/zinc/09/86/08/642098608.db2.gz VURGMLJJPORVHO-NSHDSACASA-N 1 0 286.335 2.562 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000125234704 642564108 /nfs/dbraw/zinc/56/41/08/642564108.db2.gz AUUMRCHKGDEVMK-ZWNOBZJWSA-N 1 0 276.292 2.572 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000087016969 650798279 /nfs/dbraw/zinc/79/82/79/650798279.db2.gz DBVOQEKAHBCNOZ-GFCCVEGCSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1C ZINC000876894878 643055584 /nfs/dbraw/zinc/05/55/84/643055584.db2.gz STGLYNOODGJAKQ-YUOXXOKCSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H](C)C1 ZINC000877038051 643115696 /nfs/dbraw/zinc/11/56/96/643115696.db2.gz GUXDEWJNIUPGNQ-BRUFSJIZSA-N 1 0 292.383 2.909 20 5 CFBDRO CC[C@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877086136 643144875 /nfs/dbraw/zinc/14/48/75/643144875.db2.gz UBODYFPWKSIUAI-DLOFLVKXSA-N 1 0 278.356 2.663 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3=CCCC3)C2)c1 ZINC000877118960 643160642 /nfs/dbraw/zinc/16/06/42/643160642.db2.gz QOELKLVNGMILRA-UHFFFAOYSA-N 1 0 276.340 2.585 20 5 CFBDRO CC1(C)CC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877461026 643281311 /nfs/dbraw/zinc/28/13/11/643281311.db2.gz WNGUKYMRQUQCIZ-UHFFFAOYSA-N 1 0 278.356 2.521 20 5 CFBDRO CCC(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877477141 643294925 /nfs/dbraw/zinc/29/49/25/643294925.db2.gz YCMNDBLHSAPBHS-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877500783 643312869 /nfs/dbraw/zinc/31/28/69/643312869.db2.gz JSKOBQYBNNBFHS-OKZRHMCRSA-N 1 0 278.356 2.521 20 5 CFBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877610565 643396894 /nfs/dbraw/zinc/39/68/94/643396894.db2.gz JAOZMHPGJAFSHG-DLOFLVKXSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H](CC1CCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877701077 643464743 /nfs/dbraw/zinc/46/47/43/643464743.db2.gz ZWGXOIILDRLZIH-PKSQDBQZSA-N 1 0 278.356 2.663 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877795387 643560990 /nfs/dbraw/zinc/56/09/90/643560990.db2.gz JGBAJUZDGINPKZ-AWEZNQCLSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1 ZINC000877805509 643567368 /nfs/dbraw/zinc/56/73/68/643567368.db2.gz KDOVCYGXUZBUQV-KBMXLJTQSA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126722408 643582535 /nfs/dbraw/zinc/58/25/35/643582535.db2.gz FGGJIPLNYHIBOE-DFBGVHRSSA-N 1 0 278.352 2.797 20 5 CFBDRO CSCC[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246283669 650863317 /nfs/dbraw/zinc/86/33/17/650863317.db2.gz NYKWWFMKFUHOQE-BXUZGUMPSA-N 1 0 298.408 2.702 20 5 CFBDRO Cc1noc(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)c1[N+](=O)[O-] ZINC000879265904 644201582 /nfs/dbraw/zinc/20/15/82/644201582.db2.gz LHBWVOBRGWMFCP-UHIISALHSA-N 1 0 279.340 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879555640 644317542 /nfs/dbraw/zinc/31/75/42/644317542.db2.gz AILIJIOMTKVYMT-JQWIXIFHSA-N 1 0 296.367 2.919 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880231307 644591878 /nfs/dbraw/zinc/59/18/78/644591878.db2.gz XXMRFQUUCLEUCX-LLVKDONJSA-N 1 0 282.315 2.785 20 5 CFBDRO CC(=O)c1c(NC[C@@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881925618 645156046 /nfs/dbraw/zinc/15/60/46/645156046.db2.gz YNWYKDNUDDZEBC-AWEZNQCLSA-N 1 0 291.351 2.550 20 5 CFBDRO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000882016570 645177249 /nfs/dbraw/zinc/17/72/49/645177249.db2.gz ORAUJAIUAQHXTE-VIFPVBQESA-N 1 0 284.335 2.517 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000882547365 645365621 /nfs/dbraw/zinc/36/56/21/645365621.db2.gz LLZJHEPMDQMFPH-ZYHUDNBSSA-N 1 0 294.330 2.558 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000304260002 651018030 /nfs/dbraw/zinc/01/80/30/651018030.db2.gz FJLRXCNNWTWWMZ-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO CC[N@@H+]1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000882961054 645531974 /nfs/dbraw/zinc/53/19/74/645531974.db2.gz DAFXTYWFDWNGHP-SNVBAGLBSA-N 1 0 292.364 2.711 20 5 CFBDRO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000883208099 645664474 /nfs/dbraw/zinc/66/44/74/645664474.db2.gz ZGYOGZSOEABPCV-AAEUAGOBSA-N 1 0 280.372 2.596 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000883270162 645712180 /nfs/dbraw/zinc/71/21/80/645712180.db2.gz HMFPMAIEKRPRTK-UMVBOHGHSA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000883270232 645712749 /nfs/dbraw/zinc/71/27/49/645712749.db2.gz IYQQPTUZSBPMJN-JHJVBQTASA-N 1 0 278.352 2.979 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883319919 645738182 /nfs/dbraw/zinc/73/81/82/645738182.db2.gz UUVUXXLCUPXOOL-GHJWDPDVSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)c(F)c1 ZINC000883363766 645770300 /nfs/dbraw/zinc/77/03/00/645770300.db2.gz MRXVOKOMJCDQQO-CYBMUJFWSA-N 1 0 294.326 2.925 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000305141052 651051774 /nfs/dbraw/zinc/05/17/74/651051774.db2.gz MJFNRTCOVSNRRL-SNVBAGLBSA-N 1 0 286.759 2.839 20 5 CFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000886011324 646814660 /nfs/dbraw/zinc/81/46/60/646814660.db2.gz YQZRFMMPPBOFCY-INIZCTEOSA-N 1 0 297.358 2.979 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000886021479 646824378 /nfs/dbraw/zinc/82/43/78/646824378.db2.gz XHWIYVDRCNDXQC-AAEUAGOBSA-N 1 0 261.325 2.754 20 5 CFBDRO C[C@@H](c1ccncc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886092303 646864009 /nfs/dbraw/zinc/86/40/09/646864009.db2.gz SWLYZPXJPDDOJJ-NSHDSACASA-N 1 0 272.308 2.578 20 5 CFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000886146709 646895557 /nfs/dbraw/zinc/89/55/57/646895557.db2.gz ANPNLARSERBGKS-UHFFFAOYSA-N 1 0 293.367 2.507 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C3(O)CCC3)CCC2)cs1 ZINC000886975175 647186758 /nfs/dbraw/zinc/18/67/58/647186758.db2.gz CZFAMBHQZDLESM-UHFFFAOYSA-N 1 0 296.392 2.831 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000223282614 647359288 /nfs/dbraw/zinc/35/92/88/647359288.db2.gz PUCAMVUYTDOXRM-COPLHBTASA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924956812 648079776 /nfs/dbraw/zinc/07/97/76/648079776.db2.gz YQQVWJQOIZDDJY-JKSUJKDBSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925595432 648231223 /nfs/dbraw/zinc/23/12/23/648231223.db2.gz RZKJYWSJHYAVRA-MLGOLLRUSA-N 1 0 285.347 2.773 20 5 CFBDRO C[C@H]([NH3+])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925595430 648231916 /nfs/dbraw/zinc/23/19/16/648231916.db2.gz RZKJYWSJHYAVRA-LRDDRELGSA-N 1 0 285.347 2.773 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926942854 648666049 /nfs/dbraw/zinc/66/60/49/648666049.db2.gz QKFVQXTZLFAWDK-ZIEJDFEHSA-N 1 0 288.347 2.837 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000929132635 648987127 /nfs/dbraw/zinc/98/71/27/648987127.db2.gz FVZVJYZDSNVYKY-CQSZACIVSA-N 1 0 291.351 2.715 20 5 CFBDRO COC/C(C)=C\C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208342 649207356 /nfs/dbraw/zinc/20/73/56/649207356.db2.gz NPCVSOWARYQWTH-RDQDRAATSA-N 1 0 264.325 2.838 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000930233435 649211227 /nfs/dbraw/zinc/21/12/27/649211227.db2.gz QKDLROWVYNDRRK-AWEZNQCLSA-N 1 0 266.316 2.923 20 5 CFBDRO Cc1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000930439524 649247883 /nfs/dbraw/zinc/24/78/83/649247883.db2.gz JATKRASCCPKFNV-UHFFFAOYSA-N 1 0 288.351 2.609 20 5 CFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931039748 649369820 /nfs/dbraw/zinc/36/98/20/649369820.db2.gz SXUOXBHPVCMLJX-ZWNOBZJWSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931043696 649370275 /nfs/dbraw/zinc/37/02/75/649370275.db2.gz UFAPEOFXTSFGDO-DYEKYZERSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000932563328 649619912 /nfs/dbraw/zinc/61/99/12/649619912.db2.gz CHRWBJYTMICGOM-NSHDSACASA-N 1 0 292.314 2.590 20 5 CFBDRO C[C@H]1CSCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000934301051 649770332 /nfs/dbraw/zinc/77/03/32/649770332.db2.gz RWFFDCZTVYWSQI-LBPRGKRZSA-N 1 0 280.393 2.965 20 5 CFBDRO Cn1cc(C[NH2+]C2(C3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000934787378 649831143 /nfs/dbraw/zinc/83/11/43/649831143.db2.gz IOKUUFUZVDWLDK-UHFFFAOYSA-N 1 0 278.356 2.531 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OCCCOCc1ccccc1 ZINC001206757953 769837687 /nfs/dbraw/zinc/83/76/87/769837687.db2.gz MQZXHYWRJVTMBF-OAHLLOKOSA-N 1 0 266.405 2.705 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000723986228 770734198 /nfs/dbraw/zinc/73/41/98/770734198.db2.gz AQPLRPOXJZSZER-DZGCQCFKSA-N 1 0 278.352 2.890 20 5 CFBDRO CC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)O1 ZINC001224621514 775229357 /nfs/dbraw/zinc/22/93/57/775229357.db2.gz WFFFRCUXMIKMHJ-UHFFFAOYSA-N 1 0 258.426 2.836 20 5 CFBDRO COc1ccc(OC[C@@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224623736 775229846 /nfs/dbraw/zinc/22/98/46/775229846.db2.gz QEEUNCWNVOTFAI-CQSZACIVSA-N 1 0 282.404 2.575 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703935 775253963 /nfs/dbraw/zinc/25/39/63/775253963.db2.gz VRLDKEVXCUPAKT-HOTGVXAUSA-N 1 0 290.363 2.563 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703937 775254334 /nfs/dbraw/zinc/25/43/34/775254334.db2.gz VRLDKEVXCUPAKT-JKSUJKDBSA-N 1 0 290.363 2.563 20 5 CFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC[C@H]2F)ccc1Cl ZINC001217981039 775416875 /nfs/dbraw/zinc/41/68/75/775416875.db2.gz NWUIBZSZMCTBDA-PWSUYJOCSA-N 1 0 288.706 2.717 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225383359 775436452 /nfs/dbraw/zinc/43/64/52/775436452.db2.gz YXGVMIMRWOGNQK-SNVBAGLBSA-N 1 0 268.288 2.597 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225383307 775436506 /nfs/dbraw/zinc/43/65/06/775436506.db2.gz XUTJHQHQBJVDHF-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383921 775438435 /nfs/dbraw/zinc/43/84/35/775438435.db2.gz IUQYYFNKHVYLTK-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC001218028291 775453880 /nfs/dbraw/zinc/45/38/80/775453880.db2.gz FBRUQHMSAZKRON-MEBBXXQBSA-N 1 0 278.352 2.979 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(OC)c1 ZINC001225436227 775455813 /nfs/dbraw/zinc/45/58/13/775455813.db2.gz PSMSWWUWIOXIAJ-LLVKDONJSA-N 1 0 282.340 2.713 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C2 ZINC001225575777 775507546 /nfs/dbraw/zinc/50/75/46/775507546.db2.gz WNWBNNZUIFJSIJ-ZSBIGDGJSA-N 1 0 280.299 2.738 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(F)c1[N+](=O)[O-])C2 ZINC001225664160 775546799 /nfs/dbraw/zinc/54/67/99/775546799.db2.gz KZXREBMQNLFUTL-URLYPYJESA-N 1 0 280.299 2.738 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225665313 775548981 /nfs/dbraw/zinc/54/89/81/775548981.db2.gz XQENTYZXHURXOJ-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001225683839 775556746 /nfs/dbraw/zinc/55/67/46/775556746.db2.gz XBXPNOUKWKFKGD-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293093020 775561462 /nfs/dbraw/zinc/56/14/62/775561462.db2.gz KOSYBWKTMBYESC-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO COc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001225770217 775587736 /nfs/dbraw/zinc/58/77/36/775587736.db2.gz SZCLNDSBKGKKLC-HAQNSBGRSA-N 1 0 294.351 2.855 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)c(F)c(F)c(F)c1F ZINC001225786549 775593198 /nfs/dbraw/zinc/59/31/98/775593198.db2.gz UDFUIUOKKQMTHS-ZCFIWIBFSA-N 1 0 284.248 2.856 20 5 CFBDRO O=[N+]([O-])c1cccc(OC2CCN(CCF)CC2)c1F ZINC001225793737 775595040 /nfs/dbraw/zinc/59/50/40/775595040.db2.gz DKHMCMUFERFFIW-UHFFFAOYSA-N 1 0 286.278 2.547 20 5 CFBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218382478 775604543 /nfs/dbraw/zinc/60/45/43/775604543.db2.gz BXQQXWGJWWMTIS-CDUCUWFYSA-N 1 0 277.107 2.641 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907374 775631237 /nfs/dbraw/zinc/63/12/37/775631237.db2.gz NDQRCOJXUFUIRJ-GFCCVEGCSA-N 1 0 282.315 2.986 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225912357 775632829 /nfs/dbraw/zinc/63/28/29/775632829.db2.gz HIGDLKUBMIJJIE-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225943340 775643454 /nfs/dbraw/zinc/64/34/54/775643454.db2.gz YYMLITWJXLYONA-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225943338 775643878 /nfs/dbraw/zinc/64/38/78/775643878.db2.gz YYMLITWJXLYONA-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO CC(=O)c1ccc(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225949146 775645125 /nfs/dbraw/zinc/64/51/25/775645125.db2.gz MXWNAAXKHVDIOV-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[NH2+]C[C@H]1C ZINC001218418485 775650618 /nfs/dbraw/zinc/65/06/18/775650618.db2.gz ZUPOVSCCCVLVLD-YPMHNXCESA-N 1 0 264.325 2.588 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[NH2+]C[C@@H]1C ZINC001218418484 775650957 /nfs/dbraw/zinc/65/09/57/775650957.db2.gz ZUPOVSCCCVLVLD-WCQYABFASA-N 1 0 264.325 2.588 20 5 CFBDRO CC(C)OC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001226074534 775690433 /nfs/dbraw/zinc/69/04/33/775690433.db2.gz XYQAGLMNMYXRNM-CYBMUJFWSA-N 1 0 280.388 2.725 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195935 775734212 /nfs/dbraw/zinc/73/42/12/775734212.db2.gz NEFBHVHEYVTKBN-QMMMGPOBSA-N 1 0 288.706 2.860 20 5 CFBDRO Cc1cc(C(F)(F)F)ncc1O[C@H](C)C[N+](C)(C)C ZINC001226405545 775808089 /nfs/dbraw/zinc/80/80/89/775808089.db2.gz KETDAWFUSHPMLK-SNVBAGLBSA-N 1 0 277.310 2.882 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226908732 776013504 /nfs/dbraw/zinc/01/35/04/776013504.db2.gz NDUJMVLYTHBFNU-ZETCQYMHSA-N 1 0 276.695 2.716 20 5 CFBDRO Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001226950267 776031323 /nfs/dbraw/zinc/03/13/23/776031323.db2.gz HAHPMDQOPWJNBM-DABQJJPHSA-N 1 0 276.336 2.907 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2C)C1 ZINC001226991873 776053077 /nfs/dbraw/zinc/05/30/77/776053077.db2.gz GRECJUQYVISKBO-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cccc1Br ZINC001227024208 776064862 /nfs/dbraw/zinc/06/48/62/776064862.db2.gz HZSHUWOMAJPYMT-VIFPVBQESA-O 1 0 289.193 2.628 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)(C)C)CC2)n1 ZINC001227064266 776082425 /nfs/dbraw/zinc/08/24/25/776082425.db2.gz NAXAMMTWSFCVLH-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1OC1CCC([NH+](C)C)CC1 ZINC001227185553 776129517 /nfs/dbraw/zinc/12/95/17/776129517.db2.gz UKBNPQQSKFIJRN-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO CCOc1cc(C)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227202256 776135148 /nfs/dbraw/zinc/13/51/48/776135148.db2.gz IAOMCXHOOXGECZ-CYBMUJFWSA-N 1 0 252.378 2.867 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1OC(C)(C)C2 ZINC001227254318 776158146 /nfs/dbraw/zinc/15/81/46/776158146.db2.gz PBHDESJIRKWLHC-LBPRGKRZSA-N 1 0 264.389 2.874 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1 ZINC001227523996 776219859 /nfs/dbraw/zinc/21/98/59/776219859.db2.gz VNFCRJAKAPYUAT-JJLQDPRZSA-N 1 0 276.336 2.704 20 5 CFBDRO Cc1ccc(C[NH2+]CC2SCCS2)cc1[N+](=O)[O-] ZINC000692851847 776406107 /nfs/dbraw/zinc/40/61/07/776406107.db2.gz MPFKNTTXUWFUAC-UHFFFAOYSA-N 1 0 284.406 2.799 20 5 CFBDRO Cc1cc(C)c(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001228229141 776427604 /nfs/dbraw/zinc/42/76/04/776427604.db2.gz DPKGPUYBUMGNRL-NSHDSACASA-N 1 0 252.314 2.541 20 5 CFBDRO Cc1cc(C)c(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001228229711 776427832 /nfs/dbraw/zinc/42/78/32/776427832.db2.gz KWNBBBQVBAITOY-CQSZACIVSA-N 1 0 276.336 2.685 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256192 776430879 /nfs/dbraw/zinc/43/08/79/776430879.db2.gz RFOOOIGLZNSION-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256191 776435553 /nfs/dbraw/zinc/43/55/53/776435553.db2.gz RFOOOIGLZNSION-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256469 776435581 /nfs/dbraw/zinc/43/55/81/776435581.db2.gz XHXAFJNIBNFQBO-NSHDSACASA-N 1 0 270.716 2.721 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001228256540 776435777 /nfs/dbraw/zinc/43/57/77/776435777.db2.gz YPHIKBCICPKYSR-CYBMUJFWSA-N 1 0 282.727 2.721 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000722319644 776448634 /nfs/dbraw/zinc/44/86/34/776448634.db2.gz JRDRKIGVJVJYIC-NEPJUHHUSA-N 1 0 282.365 2.704 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc(Cl)cnc2n1 ZINC001228384391 776477763 /nfs/dbraw/zinc/47/77/63/776477763.db2.gz HCWLJFPCMPVWGS-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC1CC[NH+](C)CC1 ZINC001228454202 776496201 /nfs/dbraw/zinc/49/62/01/776496201.db2.gz VAJLKAXTRFJKCF-UHFFFAOYSA-N 1 0 292.335 2.579 20 5 CFBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001228834060 776625660 /nfs/dbraw/zinc/62/56/60/776625660.db2.gz ZNCPZCDLDHHZAC-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO COC(=O)c1sc(C)c(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001228877989 776643616 /nfs/dbraw/zinc/64/36/16/776643616.db2.gz KSJFNUGMRGLDOT-VIFPVBQESA-N 1 0 286.417 2.625 20 5 CFBDRO O=[N+]([O-])c1ccncc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228879312 776643944 /nfs/dbraw/zinc/64/39/44/776643944.db2.gz GNUHWEUJIMQYQY-CQSZACIVSA-N 1 0 299.330 2.643 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930368 776660329 /nfs/dbraw/zinc/66/03/29/776660329.db2.gz LCSOUBNDTYOSDG-MRVPVSSYSA-N 1 0 290.241 2.697 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229118769 776725086 /nfs/dbraw/zinc/72/50/86/776725086.db2.gz HSQTYCIIRAQQFS-CEFACKQISA-N 1 0 276.336 2.797 20 5 CFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C[NH+](C)C ZINC001229178902 776745750 /nfs/dbraw/zinc/74/57/50/776745750.db2.gz DTECFALBOLZURM-JTQLQIEISA-N 1 0 280.324 2.516 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001229485608 776827225 /nfs/dbraw/zinc/82/72/25/776827225.db2.gz BWAZTASCDSJFPH-NSHDSACASA-N 1 0 291.307 2.599 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)cc1F ZINC001229894502 776912796 /nfs/dbraw/zinc/91/27/96/776912796.db2.gz JMJYBHUORGXELL-LLVKDONJSA-N 1 0 282.315 2.905 20 5 CFBDRO COc1cc(C(C)=O)c(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230273673 776969174 /nfs/dbraw/zinc/96/91/74/776969174.db2.gz DSUCBTKCLPNRSH-JTQLQIEISA-N 1 0 284.351 2.510 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225384053 776981109 /nfs/dbraw/zinc/98/11/09/776981109.db2.gz KECDXKOURJJRSH-LBPRGKRZSA-N 1 0 282.315 2.986 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230915905 777092328 /nfs/dbraw/zinc/09/23/28/777092328.db2.gz UACSUSQXRZJRCH-GFCCVEGCSA-N 1 0 282.727 2.721 20 5 CFBDRO CC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)ccc1F ZINC001230958344 777100500 /nfs/dbraw/zinc/10/05/00/777100500.db2.gz XHAPDJHNKSLKPE-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc(Br)c1 ZINC001231015805 777117793 /nfs/dbraw/zinc/11/77/93/777117793.db2.gz RZUZEUNXXURXJB-VIFPVBQESA-O 1 0 289.193 2.628 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H](C)C[NH+](C)C ZINC001231059878 777128337 /nfs/dbraw/zinc/12/83/37/777128337.db2.gz LAVAMDPOLCRPHH-NSHDSACASA-N 1 0 252.314 2.541 20 5 CFBDRO C[NH+](C)CCOc1cc(NCC(C)(C)C)ccc1[N+](=O)[O-] ZINC001161641699 777359276 /nfs/dbraw/zinc/35/92/76/777359276.db2.gz MXMVXBALDSRYQF-UHFFFAOYSA-N 1 0 295.383 2.993 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894848166 777475340 /nfs/dbraw/zinc/47/53/40/777475340.db2.gz JDCBJDTXIIUNGL-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C[NH3+] ZINC000714242164 777973310 /nfs/dbraw/zinc/97/33/10/777973310.db2.gz FQYONXCAJXYWAN-UHFFFAOYSA-N 1 0 291.273 2.787 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1OCC1CC1 ZINC001233507841 777974041 /nfs/dbraw/zinc/97/40/41/777974041.db2.gz KLBFVTXWDBZLOO-CYBMUJFWSA-N 1 0 264.389 2.949 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Cl)cnc1[N+](=O)[O-] ZINC001233712417 778051428 /nfs/dbraw/zinc/05/14/28/778051428.db2.gz GUMNBFBFOKOKCT-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC001233764780 778070169 /nfs/dbraw/zinc/07/01/69/778070169.db2.gz NVFUZOWYXXXSOY-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO Cc1cc2c(cc1F)ncnc2O[C@H](C)C[N+](C)(C)C ZINC001233849992 778095378 /nfs/dbraw/zinc/09/53/78/778095378.db2.gz IAFUCNKBMCMWRY-LLVKDONJSA-N 1 0 278.351 2.551 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233858939 778098204 /nfs/dbraw/zinc/09/82/04/778098204.db2.gz IIOTWTSSIPAKBX-UHFFFAOYSA-N 1 0 279.340 2.632 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccsc21 ZINC001233876824 778103185 /nfs/dbraw/zinc/10/31/85/778103185.db2.gz POJFJZKIPUYHDR-MRVPVSSYSA-N 1 0 286.808 2.818 20 5 CFBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001234220732 778188313 /nfs/dbraw/zinc/18/83/13/778188313.db2.gz DZWCXGXOMNDKQK-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO CCOc1cc([N+](=O)[O-])ccc1NC1(C)CC[NH2+]CC1 ZINC001168186226 778228638 /nfs/dbraw/zinc/22/86/38/778228638.db2.gz VFUPCSDXEYPBRE-UHFFFAOYSA-N 1 0 279.340 2.548 20 5 CFBDRO COc1cc(OC)c(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001234940545 778334144 /nfs/dbraw/zinc/33/41/44/778334144.db2.gz AHMZEYQDTREUTG-SNVBAGLBSA-N 1 0 288.795 2.831 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CSC1 ZINC000698015263 778628434 /nfs/dbraw/zinc/62/84/34/778628434.db2.gz DYQNBZZRPQIXDI-UHFFFAOYSA-N 1 0 272.757 2.701 20 5 CFBDRO C[C@@H](COc1ccccc1)OCCCOCC[N+](C)(C)C ZINC001224775109 778681133 /nfs/dbraw/zinc/68/11/33/778681133.db2.gz IVVJJGRWLAXVBO-INIZCTEOSA-N 1 0 296.431 2.583 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130221222 779165179 /nfs/dbraw/zinc/16/51/79/779165179.db2.gz PYEAFUUMGYGPRW-IVMMDQJWSA-N 1 0 289.379 2.872 20 5 CFBDRO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000721989020 779217671 /nfs/dbraw/zinc/21/76/71/779217671.db2.gz LKNQVYBXZBRDRZ-NSHDSACASA-N 1 0 285.294 2.942 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699466009 779274003 /nfs/dbraw/zinc/27/40/03/779274003.db2.gz OZAYZOWHIIMIND-GVXVVHGQSA-N 1 0 264.325 2.589 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSC(F)(F)F)cc1 ZINC000132145267 780393153 /nfs/dbraw/zinc/39/31/53/780393153.db2.gz LBHFGYOCGGUFPP-UHFFFAOYSA-N 1 0 280.271 2.937 20 5 CFBDRO O=[N+]([O-])c1cc2c(cc1NCCC(F)(F)F)C[NH2+]C2 ZINC001161825472 780548272 /nfs/dbraw/zinc/54/82/72/780548272.db2.gz MBZGTLIOCLABRS-UHFFFAOYSA-N 1 0 275.230 2.562 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(C)COC1 ZINC000702986375 780973866 /nfs/dbraw/zinc/97/38/66/780973866.db2.gz PWAXKAJEWBQQIG-UHFFFAOYSA-N 1 0 284.743 2.717 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CC(C)(C)CO2)cccc1[N+](=O)[O-] ZINC000708356440 781270824 /nfs/dbraw/zinc/27/08/24/781270824.db2.gz UPMHGGFDPORDCD-CYBMUJFWSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC3(CC3(F)F)C2)cc1 ZINC001119304834 781758293 /nfs/dbraw/zinc/75/82/93/781758293.db2.gz ZEDCFDQVQZVNBT-UHFFFAOYSA-N 1 0 282.290 2.915 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000124337488 187133375 /nfs/dbraw/zinc/13/33/75/187133375.db2.gz FSWYJWHBBRWCLR-JTQLQIEISA-N 1 0 280.324 2.596 20 5 CFBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC=CC1 ZINC000594510546 349436061 /nfs/dbraw/zinc/43/60/61/349436061.db2.gz MURSOGWNXUBIAP-UHFFFAOYSA-N 1 0 250.273 2.932 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000594513433 349436536 /nfs/dbraw/zinc/43/65/36/349436536.db2.gz YNSSVUSGAHYGTM-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(COC)CC1 ZINC000594515340 349438456 /nfs/dbraw/zinc/43/84/56/349438456.db2.gz NXTIDKAOWXVUNH-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594518366 349439877 /nfs/dbraw/zinc/43/98/77/349439877.db2.gz PNMSFCKMYYXRBU-SNVBAGLBSA-N 1 0 277.349 2.772 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000594593381 349454485 /nfs/dbraw/zinc/45/44/85/349454485.db2.gz BYEYLTRUVXLCRU-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO Cc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594601246 349458209 /nfs/dbraw/zinc/45/82/09/349458209.db2.gz MXQGTXQWZBVGJA-OCCSQVGLSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594601247 349458358 /nfs/dbraw/zinc/45/83/58/349458358.db2.gz MXQGTXQWZBVGJA-TZMCWYRMSA-N 1 0 290.367 2.727 20 5 CFBDRO CCC[C@H]([NH2+]C[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000124434308 187136970 /nfs/dbraw/zinc/13/69/70/187136970.db2.gz JTCXQAOVUIPEGT-KBPBESRZSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594720309 349479970 /nfs/dbraw/zinc/47/99/70/349479970.db2.gz HVGARRNKKZGTMM-JOYOIKCWSA-N 1 0 286.278 2.670 20 5 CFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273066744 192034639 /nfs/dbraw/zinc/03/46/39/192034639.db2.gz YZJKZGBOCDQZQS-NSHDSACASA-N 1 0 261.325 2.657 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594955584 349528566 /nfs/dbraw/zinc/52/85/66/349528566.db2.gz CHGMWSVIVHVUBZ-LBPRGKRZSA-N 1 0 295.358 2.696 20 5 CFBDRO CC1(C)C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000594963995 349532732 /nfs/dbraw/zinc/53/27/32/349532732.db2.gz NKGURLQNJRIGGN-VGVVRCBHSA-N 1 0 276.336 2.765 20 5 CFBDRO CC(C)(C)OCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594975263 349536607 /nfs/dbraw/zinc/53/66/07/349536607.db2.gz ORSUGYJPMMSVFE-UHFFFAOYSA-N 1 0 272.370 2.951 20 5 CFBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000594983576 349538991 /nfs/dbraw/zinc/53/89/91/349538991.db2.gz FSRPGPVDUJMFSC-GXFFZTMASA-N 1 0 282.315 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c(Cl)c1 ZINC000594983062 349539247 /nfs/dbraw/zinc/53/92/47/349539247.db2.gz JJNNHFFCXYACCX-NSHDSACASA-N 1 0 298.770 2.746 20 5 CFBDRO Cc1cncc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000594989643 349539940 /nfs/dbraw/zinc/53/99/40/349539940.db2.gz VEUQBFFEWLSKTJ-GQCTYLIASA-N 1 0 298.346 2.539 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(Cl)c1 ZINC000594988254 349540028 /nfs/dbraw/zinc/54/00/28/349540028.db2.gz OIOAZQBYXSNWCD-CHWSQXEVSA-N 1 0 296.754 2.641 20 5 CFBDRO CC(C)SCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000290187152 197624520 /nfs/dbraw/zinc/62/45/20/197624520.db2.gz SMACDRYFUDWJRY-UHFFFAOYSA-N 1 0 260.384 2.888 20 5 CFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000125130330 187170963 /nfs/dbraw/zinc/17/09/63/187170963.db2.gz WBGPPPBJIPQIAO-LBPRGKRZSA-N 1 0 291.351 2.655 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CC(CF)(CF)C2)c1 ZINC000595036103 349558234 /nfs/dbraw/zinc/55/82/34/349558234.db2.gz OZQXOCNXKBCIEY-UHFFFAOYSA-N 1 0 284.306 2.815 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@@H](C)CO ZINC000595035020 349558279 /nfs/dbraw/zinc/55/82/79/349558279.db2.gz GCANLXZIFADQND-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595024985 349555020 /nfs/dbraw/zinc/55/50/20/349555020.db2.gz IXHPSKCLRWSDGE-BXUZGUMPSA-N 1 0 296.367 2.925 20 5 CFBDRO C[C@H](CSCCF)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000595029081 349556938 /nfs/dbraw/zinc/55/69/38/349556938.db2.gz VUHIQCKKPLXWEQ-LLVKDONJSA-N 1 0 286.372 2.818 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032116 349557389 /nfs/dbraw/zinc/55/73/89/349557389.db2.gz HMSWARTTZBDNGJ-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000594995701 349542333 /nfs/dbraw/zinc/54/23/33/349542333.db2.gz TYKJAJGENCZCBW-LBPRGKRZSA-N 1 0 284.381 2.951 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000595046177 349562978 /nfs/dbraw/zinc/56/29/78/349562978.db2.gz YGUPTOKNYDISQB-TVQRCGJNSA-N 1 0 262.309 2.807 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595050085 349564947 /nfs/dbraw/zinc/56/49/47/349564947.db2.gz FXXHVNCCUNUIIA-NEPJUHHUSA-N 1 0 296.367 2.927 20 5 CFBDRO CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000595058997 349570558 /nfs/dbraw/zinc/57/05/58/349570558.db2.gz DZUKUYFYGHUNML-LSDHHAIUSA-N 1 0 296.367 2.687 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069285 349572984 /nfs/dbraw/zinc/57/29/84/349572984.db2.gz QTPBBJZJHKYYRY-RYUDHWBXSA-N 1 0 278.352 2.715 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000595039548 349560084 /nfs/dbraw/zinc/56/00/84/349560084.db2.gz GQRYVTPGHPKBQY-HBNTYKKESA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000595040949 349560631 /nfs/dbraw/zinc/56/06/31/349560631.db2.gz IUDKHAKURUNORD-RYUDHWBXSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCCCO ZINC000595040946 349560960 /nfs/dbraw/zinc/56/09/60/349560960.db2.gz IUDKHAKURUNORD-NEPJUHHUSA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c2ccncc21 ZINC000067905201 346827061 /nfs/dbraw/zinc/82/70/61/346827061.db2.gz IJZRUWGRZPYHMB-NSHDSACASA-N 1 0 298.346 2.792 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595088431 349577353 /nfs/dbraw/zinc/57/73/53/349577353.db2.gz BYTIZQRMPMWMLY-GLQYFDAESA-N 1 0 290.363 2.857 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CC[NH+](C2CCCC2)CC1 ZINC000067912193 346827924 /nfs/dbraw/zinc/82/79/24/346827924.db2.gz OYXGHYVGVKUEIZ-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000595092777 349579655 /nfs/dbraw/zinc/57/96/55/349579655.db2.gz WMUCHCJGVBFWMZ-OCCSQVGLSA-N 1 0 292.379 2.962 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595336549 349604673 /nfs/dbraw/zinc/60/46/73/349604673.db2.gz ZSZATROKOHKVHG-DTWKUNHWSA-N 1 0 253.302 2.512 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595331151 349603361 /nfs/dbraw/zinc/60/33/61/349603361.db2.gz NYVSXRMEHUYHGD-LLVKDONJSA-N 1 0 284.331 2.979 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595336548 349604404 /nfs/dbraw/zinc/60/44/04/349604404.db2.gz ZSZATROKOHKVHG-BDAKNGLRSA-N 1 0 253.302 2.512 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000595293802 349593425 /nfs/dbraw/zinc/59/34/25/349593425.db2.gz AWDMIXDGAKWDMK-LLVKDONJSA-N 1 0 294.326 2.735 20 5 CFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413356 349619189 /nfs/dbraw/zinc/61/91/89/349619189.db2.gz ZOHIYKZPWYEKTI-SCZZXKLOSA-N 1 0 253.302 2.654 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595424224 349621724 /nfs/dbraw/zinc/62/17/24/349621724.db2.gz PMRMGRRTQRKPLJ-UHFFFAOYSA-N 1 0 284.331 2.718 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000595432582 349625049 /nfs/dbraw/zinc/62/50/49/349625049.db2.gz SGMILXUPNDTDPB-ZYHUDNBSSA-N 1 0 282.315 2.639 20 5 CFBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443188 349627869 /nfs/dbraw/zinc/62/78/69/349627869.db2.gz ZSJPNFHZTJPYKA-ZDUSSCGKSA-N 1 0 284.331 2.573 20 5 CFBDRO Cc1noc(C[N@H+](CC2CC2)C2CCC2)c1[N+](=O)[O-] ZINC000595466320 349635859 /nfs/dbraw/zinc/63/58/59/349635859.db2.gz KOADOHPZIQAZCC-UHFFFAOYSA-N 1 0 265.313 2.656 20 5 CFBDRO Cc1noc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513390 349648562 /nfs/dbraw/zinc/64/85/62/349648562.db2.gz UYNILSIHXVSEAR-NWDGAFQWSA-N 1 0 297.355 2.573 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595522825 349650212 /nfs/dbraw/zinc/65/02/12/349650212.db2.gz OJJPOJXSWGKYPH-AWEZNQCLSA-N 1 0 295.358 2.648 20 5 CFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000595507802 349646067 /nfs/dbraw/zinc/64/60/67/349646067.db2.gz QYIXTZFJOAZEPR-CQSZACIVSA-N 1 0 295.408 2.574 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000595533766 349652965 /nfs/dbraw/zinc/65/29/65/349652965.db2.gz NQUCQNKRYQMZRV-UHFFFAOYSA-N 1 0 294.326 2.613 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536768 349653775 /nfs/dbraw/zinc/65/37/75/349653775.db2.gz VHJUYSQSJCNPED-CYBMUJFWSA-N 1 0 277.368 2.511 20 5 CFBDRO CN(Cc1c[nH]cn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595595017 349668967 /nfs/dbraw/zinc/66/89/67/349668967.db2.gz ANIYCJLYGPWKAN-UHFFFAOYSA-N 1 0 280.715 2.603 20 5 CFBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595593747 349667685 /nfs/dbraw/zinc/66/76/85/349667685.db2.gz UITIILZPYPYSPE-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671859 349695613 /nfs/dbraw/zinc/69/56/13/349695613.db2.gz XAUIXNLWYGCFAW-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595744614 349721702 /nfs/dbraw/zinc/72/17/02/349721702.db2.gz KUSPNYUHNHQCIL-UTUOFQBUSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595829444 349744800 /nfs/dbraw/zinc/74/48/00/349744800.db2.gz HXIKMQXSDSFWEC-MRVWCRGKSA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595755863 349725480 /nfs/dbraw/zinc/72/54/80/349725480.db2.gz DWYJOWYQYNRDQF-TYNCELHUSA-N 1 0 276.336 2.624 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760133 349726297 /nfs/dbraw/zinc/72/62/97/349726297.db2.gz SDRCWVWUFUAJOW-HEHGZKQESA-N 1 0 290.363 2.933 20 5 CFBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595765814 349727542 /nfs/dbraw/zinc/72/75/42/349727542.db2.gz PENRLPWHSXOOOM-AWEZNQCLSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595779501 349730877 /nfs/dbraw/zinc/73/08/77/349730877.db2.gz BCPDKFZUPBDWFH-OLZOCXBDSA-N 1 0 278.352 2.637 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595781408 349731982 /nfs/dbraw/zinc/73/19/82/349731982.db2.gz SBTUDFKBYLYNMJ-NEPJUHHUSA-N 1 0 294.351 2.603 20 5 CFBDRO CCn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1C ZINC000414301544 529587200 /nfs/dbraw/zinc/58/72/00/529587200.db2.gz NEVFUQHNUYOOCD-UHFFFAOYSA-N 1 0 260.297 2.732 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595876266 349760016 /nfs/dbraw/zinc/76/00/16/349760016.db2.gz RHPBLEWXZYNQII-YWPYICTPSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)CO ZINC000595880779 349760687 /nfs/dbraw/zinc/76/06/87/349760687.db2.gz ZEKPIAAKMARTNX-YGRLFVJLSA-N 1 0 298.770 2.699 20 5 CFBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595903765 349765397 /nfs/dbraw/zinc/76/53/97/349765397.db2.gz FGQLSGGHVPISQO-OAHLLOKOSA-N 1 0 297.358 2.875 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835777 349748553 /nfs/dbraw/zinc/74/85/53/349748553.db2.gz VGTWWKIRVGXKST-UPJWGTAASA-N 1 0 276.336 2.624 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2CC2CCC2)n1 ZINC000595869392 349758023 /nfs/dbraw/zinc/75/80/23/349758023.db2.gz ATTSDRAEQFPHRM-AWEZNQCLSA-N 1 0 292.383 2.836 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(C)C ZINC000414527179 529629637 /nfs/dbraw/zinc/62/96/37/529629637.db2.gz MJRIVSIMHVMCOQ-GJZGRUSLSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596089924 349792159 /nfs/dbraw/zinc/79/21/59/349792159.db2.gz MJEYFKJLWYUZKP-MRVPVSSYSA-N 1 0 291.273 2.976 20 5 CFBDRO CCn1nccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596092676 349793017 /nfs/dbraw/zinc/79/30/17/349793017.db2.gz CLEGOPVDADLBEL-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO CS[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294979848 199281757 /nfs/dbraw/zinc/28/17/57/199281757.db2.gz GMBFYZFDHCZRGL-ZDUSSCGKSA-N 1 0 266.366 2.841 20 5 CFBDRO C[NH2+]C[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000596107087 349796428 /nfs/dbraw/zinc/79/64/28/349796428.db2.gz PYQPVPBAXQRHOV-NSHDSACASA-N 1 0 289.335 2.552 20 5 CFBDRO COc1cc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000596115801 349797829 /nfs/dbraw/zinc/79/78/29/349797829.db2.gz VMONUBWTDMXEMF-CQSZACIVSA-N 1 0 293.367 2.664 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596336673 349869236 /nfs/dbraw/zinc/86/92/36/349869236.db2.gz RLJLVPMAXSAQQW-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@H](CCNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000596429705 349900554 /nfs/dbraw/zinc/90/05/54/349900554.db2.gz IPQCNXLXQUGQFB-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596433786 349901306 /nfs/dbraw/zinc/90/13/06/349901306.db2.gz UEOOJGIAFNTMQG-QMMMGPOBSA-N 1 0 257.359 2.717 20 5 CFBDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596433785 349901483 /nfs/dbraw/zinc/90/14/83/349901483.db2.gz UEOOJGIAFNTMQG-MRVPVSSYSA-N 1 0 257.359 2.717 20 5 CFBDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596434451 349901870 /nfs/dbraw/zinc/90/18/70/349901870.db2.gz WMCUQNYFDBKNRU-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000413441181 530061175 /nfs/dbraw/zinc/06/11/75/530061175.db2.gz PMTDLOITKWCXLK-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO COC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075587478 347085882 /nfs/dbraw/zinc/08/58/82/347085882.db2.gz VEMUVQYWELUYCM-LLVKDONJSA-N 1 0 264.325 2.767 20 5 CFBDRO CCOCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127374703 187300264 /nfs/dbraw/zinc/30/02/64/187300264.db2.gz IXNITJNWWWYBAB-UHFFFAOYSA-N 1 0 272.732 2.717 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1cccc(F)c1[N+](=O)[O-] ZINC000097935390 232183206 /nfs/dbraw/zinc/18/32/06/232183206.db2.gz PGDOLJUCFVCVNG-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167348761 232261235 /nfs/dbraw/zinc/26/12/35/232261235.db2.gz NQCQLMXAQJPOHU-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000023898848 346254074 /nfs/dbraw/zinc/25/40/74/346254074.db2.gz BGAJNOXDIFRVSJ-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030269457 346287546 /nfs/dbraw/zinc/28/75/46/346287546.db2.gz IOKPXBPAAKFWGI-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000037153309 346327681 /nfs/dbraw/zinc/32/76/81/346327681.db2.gz IMZSCSCXUKNNMO-ZDUSSCGKSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@@H](NCC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596648128 349967555 /nfs/dbraw/zinc/96/75/55/349967555.db2.gz JNXXPHXYCICQDD-LLVKDONJSA-N 1 0 263.341 2.517 20 5 CFBDRO CCCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051179906 346501202 /nfs/dbraw/zinc/50/12/02/346501202.db2.gz QNHAJDYVAARBOB-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO Cc1c(C[NH2+]C2(CO)CCCCC2)cccc1[N+](=O)[O-] ZINC000053097154 346538178 /nfs/dbraw/zinc/53/81/78/346538178.db2.gz XZQVWKTZVMVKEQ-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO CC(C)CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053365373 346543718 /nfs/dbraw/zinc/54/37/18/346543718.db2.gz VAHXJTLBJJKYFC-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO CC(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053363834 346543722 /nfs/dbraw/zinc/54/37/22/346543722.db2.gz LOULLXJBFISKCN-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000056494897 346609618 /nfs/dbraw/zinc/60/96/18/346609618.db2.gz HPXGJMIBYXJNMF-JTQLQIEISA-N 1 0 270.354 2.515 20 5 CFBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000063618500 346705507 /nfs/dbraw/zinc/70/55/07/346705507.db2.gz UZGWLSGDPCQOPP-ZDUSSCGKSA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000063739830 346708910 /nfs/dbraw/zinc/70/89/10/346708910.db2.gz LORBSHVPMOWGTB-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000066810454 346780388 /nfs/dbraw/zinc/78/03/88/346780388.db2.gz WXZPYDGBICBQHN-JHJVBQTASA-N 1 0 292.383 2.768 20 5 CFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C1 ZINC000066812333 346780693 /nfs/dbraw/zinc/78/06/93/346780693.db2.gz UMNIOIZFMQJXRX-LBPRGKRZSA-N 1 0 292.383 2.912 20 5 CFBDRO CC[NH+](CC)CCCCNc1ccncc1[N+](=O)[O-] ZINC000066810979 346780860 /nfs/dbraw/zinc/78/08/60/346780860.db2.gz FZTIUKXYVDHQJU-UHFFFAOYSA-N 1 0 266.345 2.524 20 5 CFBDRO CC(C)CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535672 346735739 /nfs/dbraw/zinc/73/57/39/346735739.db2.gz ZNINPAJVQVYBKM-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO CCC1(O)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075859725 347104180 /nfs/dbraw/zinc/10/41/80/347104180.db2.gz GLWMBICEBLKKIT-LBPRGKRZSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075891045 347106163 /nfs/dbraw/zinc/10/61/63/347106163.db2.gz QZZOYSVZPJXABE-PHIMTYICSA-N 1 0 266.366 2.921 20 5 CFBDRO C[C@H]1CCC[N@H+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076795490 347154261 /nfs/dbraw/zinc/15/42/61/347154261.db2.gz ZYLCNPYAHDQQMX-ZDUSSCGKSA-N 1 0 292.383 2.914 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076800497 347155237 /nfs/dbraw/zinc/15/52/37/347155237.db2.gz YIIOHZFFFBVDAD-STQMWFEESA-N 1 0 292.383 2.770 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000076870995 347157758 /nfs/dbraw/zinc/15/77/58/347157758.db2.gz ININRDGFUUBFDB-UHFFFAOYSA-N 1 0 295.770 2.780 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000078562504 347261781 /nfs/dbraw/zinc/26/17/81/347261781.db2.gz RZMMRDLFSMSCOV-LBPRGKRZSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078583626 347263654 /nfs/dbraw/zinc/26/36/54/347263654.db2.gz JGLHRQDYEZPPOT-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1cnc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078630542 347266299 /nfs/dbraw/zinc/26/62/99/347266299.db2.gz AEFYKAYCFACEIR-STQMWFEESA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000080611245 347369540 /nfs/dbraw/zinc/36/95/40/347369540.db2.gz VGYNDNFRGFHWJF-ZDUSSCGKSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000085333880 347478503 /nfs/dbraw/zinc/47/85/03/347478503.db2.gz DMKSHNBKXBHYOX-IRXDYDNUSA-N 1 0 298.342 2.651 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C(C)C)CC2)c1 ZINC000088718670 347508020 /nfs/dbraw/zinc/50/80/20/347508020.db2.gz NCBNJISCLKXXHP-UHFFFAOYSA-N 1 0 277.368 2.870 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000089580665 347521774 /nfs/dbraw/zinc/52/17/74/347521774.db2.gz QKDJCFOGJHUVEN-LLVKDONJSA-N 1 0 264.325 2.752 20 5 CFBDRO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000088276011 347500470 /nfs/dbraw/zinc/50/04/70/347500470.db2.gz NWXZIUSGHDWAKZ-NSHDSACASA-N 1 0 279.340 2.544 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000090800064 347557448 /nfs/dbraw/zinc/55/74/48/347557448.db2.gz CSVNLPHIJUWMEE-PNESKVBLSA-N 1 0 278.352 2.857 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000091484264 347590008 /nfs/dbraw/zinc/59/00/08/347590008.db2.gz BDYUNUFPUHBVTO-CYBMUJFWSA-N 1 0 275.352 2.517 20 5 CFBDRO CCOc1cc(N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000092649970 347636478 /nfs/dbraw/zinc/63/64/78/347636478.db2.gz ZMYCHZYRFGERMP-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000092650608 347636624 /nfs/dbraw/zinc/63/66/24/347636624.db2.gz TVOYQMYTMHDZMG-CQSZACIVSA-N 1 0 263.341 2.655 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656999 347637897 /nfs/dbraw/zinc/63/78/97/347637897.db2.gz LYIJZQHYKFYEJH-OCCSQVGLSA-N 1 0 277.368 2.822 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C)c1 ZINC000092669153 347639144 /nfs/dbraw/zinc/63/91/44/347639144.db2.gz OVLKYSWWXUBTKX-HIFRSBDPSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1cc(N2CCC([NH2+]C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000092686266 347641099 /nfs/dbraw/zinc/64/10/99/347641099.db2.gz QGLLLENRKYIDHD-UHFFFAOYSA-N 1 0 275.352 2.624 20 5 CFBDRO COc1cccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000134909080 347902319 /nfs/dbraw/zinc/90/23/19/347902319.db2.gz LNHSVBHHDIYDEE-GFCCVEGCSA-N 1 0 293.367 2.746 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000142326285 347933812 /nfs/dbraw/zinc/93/38/12/347933812.db2.gz JDARRDVOXNVVLP-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000142336814 347934025 /nfs/dbraw/zinc/93/40/25/347934025.db2.gz DLLVPUPIFVEURG-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154265607 347978955 /nfs/dbraw/zinc/97/89/55/347978955.db2.gz VYJHLTXESNAVIU-JTNHKYCSSA-N 1 0 298.408 2.666 20 5 CFBDRO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000169243642 348050173 /nfs/dbraw/zinc/05/01/73/348050173.db2.gz CWOZNAMUXPSUSR-MRXNPFEDSA-N 1 0 286.331 2.592 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000231884471 348209598 /nfs/dbraw/zinc/20/95/98/348209598.db2.gz ONLLPXMFKYTVBT-KGLIPLIRSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1cccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000236010706 348230992 /nfs/dbraw/zinc/23/09/92/348230992.db2.gz OBQYPEPSVPIMLW-LLVKDONJSA-N 1 0 261.325 2.552 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236685914 348235966 /nfs/dbraw/zinc/23/59/66/348235966.db2.gz CUFKUVZSKXXCNJ-DYLGSBMWSA-N 1 0 278.352 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250249067 348286954 /nfs/dbraw/zinc/28/69/54/348286954.db2.gz MMIVEROTUSVIAA-HZPDHXFCSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000300605735 348369499 /nfs/dbraw/zinc/36/94/99/348369499.db2.gz MVFIRONDQYCRHG-SDDRHHMPSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305850072 348382547 /nfs/dbraw/zinc/38/25/47/348382547.db2.gz UQEXRALXYDOHME-XHDPSFHLSA-N 1 0 278.352 2.667 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273351950 192123124 /nfs/dbraw/zinc/12/31/24/192123124.db2.gz BGLGONFWZYMDMV-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000311801719 348414679 /nfs/dbraw/zinc/41/46/79/348414679.db2.gz BQHFBYROLLQEKZ-KOLCDFICSA-N 1 0 282.365 2.587 20 5 CFBDRO C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000311877153 348415324 /nfs/dbraw/zinc/41/53/24/348415324.db2.gz TZXPUJSDPIWQEX-MRVPVSSYSA-N 1 0 273.283 2.894 20 5 CFBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000312796976 348420220 /nfs/dbraw/zinc/42/02/20/348420220.db2.gz QJGLFCTVMMEYAY-WDEREUQCSA-N 1 0 296.758 2.682 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413075462 233013588 /nfs/dbraw/zinc/01/35/88/233013588.db2.gz RXPJCAWYAYMJBP-WDEREUQCSA-N 1 0 296.346 2.661 20 5 CFBDRO COC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273372126 192129371 /nfs/dbraw/zinc/12/93/71/192129371.db2.gz FYCGVZJOEIOGPY-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO CCCN1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389799 348440892 /nfs/dbraw/zinc/44/08/92/348440892.db2.gz XNROHDRYFHBZBL-OCCSQVGLSA-N 1 0 277.368 2.730 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000314128296 348424590 /nfs/dbraw/zinc/42/45/90/348424590.db2.gz ICJWIBSLNJVYEM-GFCCVEGCSA-N 1 0 295.358 2.554 20 5 CFBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314202879 348425402 /nfs/dbraw/zinc/42/54/02/348425402.db2.gz TULXUHOXNOEDBM-GMXVVIOVSA-N 1 0 293.342 2.606 20 5 CFBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])sn1 ZINC000404286215 348590193 /nfs/dbraw/zinc/59/01/93/348590193.db2.gz SBZCSMVMWPJVQI-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404518727 348592213 /nfs/dbraw/zinc/59/22/13/348592213.db2.gz USPFNCWIWWCRFK-ZYHUDNBSSA-N 1 0 283.397 2.606 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)n1 ZINC000413346697 233057415 /nfs/dbraw/zinc/05/74/15/233057415.db2.gz IRQVNSSCOHTLIM-UHFFFAOYSA-N 1 0 292.383 2.893 20 5 CFBDRO Cc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC000584676663 348704881 /nfs/dbraw/zinc/70/48/81/348704881.db2.gz RARGCELGXZRMBL-UHFFFAOYSA-N 1 0 296.330 2.856 20 5 CFBDRO CCOC1CC(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000586766370 348749853 /nfs/dbraw/zinc/74/98/53/348749853.db2.gz NWWIKUNLCSOIAS-UHFFFAOYSA-N 1 0 290.363 2.768 20 5 CFBDRO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC(C)C ZINC000589494952 348835751 /nfs/dbraw/zinc/83/57/51/348835751.db2.gz CIYXABSIZNASSS-UHFFFAOYSA-N 1 0 294.351 2.859 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000589584242 348839300 /nfs/dbraw/zinc/83/93/00/348839300.db2.gz LGZDQZFLODXPQV-IUCAKERBSA-N 1 0 267.354 2.693 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000413450526 233075345 /nfs/dbraw/zinc/07/53/45/233075345.db2.gz YHUZRUPHLZATOJ-ZDUSSCGKSA-N 1 0 292.383 2.750 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CF ZINC000588930691 348804859 /nfs/dbraw/zinc/80/48/59/348804859.db2.gz OFSIYFSLNPBAMR-YAEJEKNGSA-N 1 0 252.289 2.946 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000590646034 348920454 /nfs/dbraw/zinc/92/04/54/348920454.db2.gz ODEFISQESXTGNW-JSGCOSHPSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000591147489 348992414 /nfs/dbraw/zinc/99/24/14/348992414.db2.gz IAWGHFWJBKCYTH-VIFPVBQESA-N 1 0 284.335 2.517 20 5 CFBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000591348373 349010996 /nfs/dbraw/zinc/01/09/96/349010996.db2.gz ZWPGTTUBMZHPSO-OLZOCXBDSA-N 1 0 280.372 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCCC[NH2+]1)CCC2 ZINC000591578038 349031879 /nfs/dbraw/zinc/03/18/79/349031879.db2.gz OYADWUIBLFHVQD-CZUORRHYSA-N 1 0 289.379 2.704 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000592134189 349088674 /nfs/dbraw/zinc/08/86/74/349088674.db2.gz JJULIIMSSDYLJQ-GOEBONIOSA-N 1 0 290.363 2.986 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000592466565 349125985 /nfs/dbraw/zinc/12/59/85/349125985.db2.gz PRJVSXQWRGLLTP-NEPJUHHUSA-N 1 0 290.367 2.550 20 5 CFBDRO CC(C)[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485792 349127138 /nfs/dbraw/zinc/12/71/38/349127138.db2.gz ZHKSGSOUQPHUME-CYBMUJFWSA-N 1 0 297.786 2.678 20 5 CFBDRO CC(C)[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485256 349127236 /nfs/dbraw/zinc/12/72/36/349127236.db2.gz UNLLEEZSSBOESO-GXTWGEPZSA-N 1 0 277.368 2.586 20 5 CFBDRO CCC(CC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592993925 349182844 /nfs/dbraw/zinc/18/28/44/349182844.db2.gz GMXGZCLNEBIXFH-UHFFFAOYSA-N 1 0 279.340 2.702 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC2(C)C)c1 ZINC000593012586 349187015 /nfs/dbraw/zinc/18/70/15/349187015.db2.gz ZVYCRNHGWLCRRO-UHFFFAOYSA-N 1 0 292.335 2.756 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414251102 233206055 /nfs/dbraw/zinc/20/60/55/233206055.db2.gz GVGPCNURPBXEOC-OSFYFWSMSA-N 1 0 292.379 2.929 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593117128 349213180 /nfs/dbraw/zinc/21/31/80/349213180.db2.gz PARXLLXCVFTVHE-ZDUSSCGKSA-N 1 0 298.289 2.835 20 5 CFBDRO CC(C)O[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593056109 349196467 /nfs/dbraw/zinc/19/64/67/349196467.db2.gz YCNMCYMCIBJEIH-HNNXBMFYSA-N 1 0 278.352 2.984 20 5 CFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593063851 349199276 /nfs/dbraw/zinc/19/92/76/349199276.db2.gz PLKWTEWSTYPDEK-IUODEOHRSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@@H](CO)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000593082483 349203970 /nfs/dbraw/zinc/20/39/70/349203970.db2.gz HMHUPXUJTMQHDX-STQMWFEESA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H]([NH2+]CCCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000593972873 349343544 /nfs/dbraw/zinc/34/35/44/349343544.db2.gz RWFGXTDYQMDICT-LBPRGKRZSA-N 1 0 288.351 2.612 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(O)CCCCC1 ZINC000594493803 349429199 /nfs/dbraw/zinc/42/91/99/349429199.db2.gz SFENKBPTVWNTBQ-CQSZACIVSA-N 1 0 290.363 2.867 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)SC2)cc1[N+](=O)[O-] ZINC000594493754 349429399 /nfs/dbraw/zinc/42/93/99/349429399.db2.gz RGQRPQHBCKXEAU-CMPLNLGQSA-N 1 0 296.392 2.977 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594496285 349430245 /nfs/dbraw/zinc/43/02/45/349430245.db2.gz YZVKJVHGMSCKDE-ZYHUDNBSSA-N 1 0 266.366 2.969 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594503365 349433042 /nfs/dbraw/zinc/43/30/42/349433042.db2.gz WKLDPGSXNXKOAO-NEPJUHHUSA-N 1 0 296.392 2.847 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CCC3(COC3)C2)cc1[N+](=O)[O-] ZINC000597230094 350064928 /nfs/dbraw/zinc/06/49/28/350064928.db2.gz PKQKHIKLMHUADG-UHFFFAOYSA-N 1 0 290.363 2.941 20 5 CFBDRO CCC[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000090692205 180024837 /nfs/dbraw/zinc/02/48/37/180024837.db2.gz DJFVORQFPPLGQC-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CS[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090725267 180033124 /nfs/dbraw/zinc/03/31/24/180033124.db2.gz IHIKMKQFJMGJLB-ZJUUUORDSA-N 1 0 254.355 2.997 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414517841 233278908 /nfs/dbraw/zinc/27/89/08/233278908.db2.gz RKWBOXVAXRFFPA-DYEKYZERSA-N 1 0 278.352 2.806 20 5 CFBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000104687449 186013321 /nfs/dbraw/zinc/01/33/21/186013321.db2.gz KWTCYMFLKCAATL-NSHDSACASA-N 1 0 279.340 2.572 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271308764 191064457 /nfs/dbraw/zinc/06/44/57/191064457.db2.gz WGEJPTUVQYUJOQ-FAQJLRJSSA-N 1 0 276.336 2.765 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000598465677 350272336 /nfs/dbraw/zinc/27/23/36/350272336.db2.gz HZKAGWGASXMPTJ-UHFFFAOYSA-N 1 0 299.396 2.507 20 5 CFBDRO CCC(=O)c1ccc(NCC2([NH2+]C)CCC2)c([N+](=O)[O-])c1 ZINC000598633053 350297322 /nfs/dbraw/zinc/29/73/22/350297322.db2.gz JCUKDYOOVGIDBU-UHFFFAOYSA-N 1 0 291.351 2.742 20 5 CFBDRO CCCc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000598641615 350299660 /nfs/dbraw/zinc/29/96/60/350299660.db2.gz KPTMBDDIFFPJIA-UHFFFAOYSA-N 1 0 294.380 2.595 20 5 CFBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598678431 350309213 /nfs/dbraw/zinc/30/92/13/350309213.db2.gz YBIQWMLHXYQHHZ-CWNOIDMWSA-N 1 0 290.363 2.558 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985614 350353951 /nfs/dbraw/zinc/35/39/51/350353951.db2.gz WFKWOPVCZJQGJY-LBPRGKRZSA-N 1 0 294.351 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000598985135 350354070 /nfs/dbraw/zinc/35/40/70/350354070.db2.gz JDXWYNXMTNEGNN-CYBMUJFWSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000598985292 350354244 /nfs/dbraw/zinc/35/42/44/350354244.db2.gz MQHZMNQKQVKKPP-ZDUSSCGKSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]12C[C@H]1COC2(C)C ZINC000598988677 350354759 /nfs/dbraw/zinc/35/47/59/350354759.db2.gz UZLUGMXVCYBALY-SWLSCSKDSA-N 1 0 276.336 2.560 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599000046 350357479 /nfs/dbraw/zinc/35/74/79/350357479.db2.gz RGVHQCJLWUXNRU-OZWUEAAUSA-N 1 0 294.351 2.505 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006315 350358219 /nfs/dbraw/zinc/35/82/19/350358219.db2.gz GXEHMLHKNKGJRH-HIFRSBDPSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006314 350358289 /nfs/dbraw/zinc/35/82/89/350358289.db2.gz GXEHMLHKNKGJRH-DZGCQCFKSA-N 1 0 276.336 2.560 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC=CC2)n1 ZINC000599063523 350368390 /nfs/dbraw/zinc/36/83/90/350368390.db2.gz CQINXVXAQHKKSO-KGLIPLIRSA-N 1 0 290.367 2.831 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599016017 350359009 /nfs/dbraw/zinc/35/90/09/350359009.db2.gz HHZLFDRJHYDUSD-WVSHTKLVSA-N 1 0 284.743 2.763 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CC2COC2)c2cc([N+](=O)[O-])ccc21 ZINC000599079938 350371436 /nfs/dbraw/zinc/37/14/36/350371436.db2.gz GWDNHAOMGWRLRJ-CQSZACIVSA-N 1 0 276.336 2.553 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1COC1)CCCC2 ZINC000599080020 350371476 /nfs/dbraw/zinc/37/14/76/350371476.db2.gz IUQNDWMJKLFIBZ-HNNXBMFYSA-N 1 0 276.336 2.598 20 5 CFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CCC2(CCO2)CC1 ZINC000599073996 350371555 /nfs/dbraw/zinc/37/15/55/350371555.db2.gz IGKFTIHMBHUAOP-UHFFFAOYSA-N 1 0 299.330 2.902 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084977 350373278 /nfs/dbraw/zinc/37/32/78/350373278.db2.gz HOPBVSSIPNRCIU-VZJVUDMVSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084976 350373541 /nfs/dbraw/zinc/37/35/41/350373541.db2.gz HOPBVSSIPNRCIU-PSOPSSQASA-N 1 0 276.336 2.813 20 5 CFBDRO CCO[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599403610 350431668 /nfs/dbraw/zinc/43/16/68/350431668.db2.gz DURJDYQLMFDQAN-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599624445 350466409 /nfs/dbraw/zinc/46/64/09/350466409.db2.gz FDSAMSVUFYSXRL-DDIVZENXSA-N 1 0 294.351 2.505 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600190318 350535811 /nfs/dbraw/zinc/53/58/11/350535811.db2.gz ICXPECAQVSGYQV-JQFQDSKBSA-N 1 0 258.321 2.950 20 5 CFBDRO C[C@]1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCCS1 ZINC000600162112 350525135 /nfs/dbraw/zinc/52/51/35/350525135.db2.gz SMVZWVNBPAWYDV-CQSZACIVSA-N 1 0 295.408 2.646 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000108369138 186214241 /nfs/dbraw/zinc/21/42/41/186214241.db2.gz JFNILOABYALYPQ-UHFFFAOYSA-N 1 0 277.368 2.557 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600681313 350596337 /nfs/dbraw/zinc/59/63/37/350596337.db2.gz GUZATMVOYQLTQV-SMDDNHRTSA-N 1 0 277.368 2.558 20 5 CFBDRO CCC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600715055 350600118 /nfs/dbraw/zinc/60/01/18/350600118.db2.gz XMFMSIPAQVFVRA-NILFDRSVSA-N 1 0 277.368 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000109792465 186271512 /nfs/dbraw/zinc/27/15/12/186271512.db2.gz VRJPMYYRKUCFIJ-UHFFFAOYSA-N 1 0 286.335 2.628 20 5 CFBDRO Cc1cc2c(c(-c3cc([N+](=O)[O-])ccc3CO)c1)CC[NH2+]C2 ZINC000600780820 350610728 /nfs/dbraw/zinc/61/07/28/350610728.db2.gz NDIKKIDKXMAZLC-UHFFFAOYSA-N 1 0 298.342 2.708 20 5 CFBDRO C[C@@H]1Cc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2C[NH2+]1 ZINC000600784188 350611560 /nfs/dbraw/zinc/61/15/60/350611560.db2.gz YXPPGGHSRUULNC-LLVKDONJSA-N 1 0 298.342 2.788 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCn2nccc21 ZINC000601173643 350688764 /nfs/dbraw/zinc/68/87/64/350688764.db2.gz FVZSFLGRTSPSNQ-XSHSDMCLSA-N 1 0 298.346 2.929 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000601189601 350692118 /nfs/dbraw/zinc/69/21/18/350692118.db2.gz STOCRDYOAZCFJB-LLVKDONJSA-N 1 0 298.774 2.564 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000601189602 350692229 /nfs/dbraw/zinc/69/22/29/350692229.db2.gz STOCRDYOAZCFJB-NSHDSACASA-N 1 0 298.774 2.564 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000601203016 350696134 /nfs/dbraw/zinc/69/61/34/350696134.db2.gz LPZMFPGNTHIYFZ-GFCCVEGCSA-N 1 0 294.330 2.558 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCn2nccc21 ZINC000601320659 350723783 /nfs/dbraw/zinc/72/37/83/350723783.db2.gz IIHLCWZNFQBWOR-UONOGXRCSA-N 1 0 298.346 2.903 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCCCC[C@H]([NH3+])C1 ZINC000601324906 350724447 /nfs/dbraw/zinc/72/44/47/350724447.db2.gz PXSHPTDNAOAZLV-OLZOCXBDSA-N 1 0 277.368 2.859 20 5 CFBDRO [NH3+][C@H]1CCCCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602020311 350833818 /nfs/dbraw/zinc/83/38/18/350833818.db2.gz JIWYMSFSWMKZFL-LYASGUKUSA-N 1 0 289.379 2.811 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111254536 186379421 /nfs/dbraw/zinc/37/94/21/186379421.db2.gz GYKAQJQMJRZIKP-GFCCVEGCSA-N 1 0 293.367 2.901 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111254388 186379668 /nfs/dbraw/zinc/37/96/68/186379668.db2.gz BIBJHLFITMZKTA-NSHDSACASA-N 1 0 279.340 2.511 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)C1CCCCC1 ZINC000111303862 186393766 /nfs/dbraw/zinc/39/37/66/186393766.db2.gz KKXIGJBTWPRLQP-UHFFFAOYSA-N 1 0 296.342 2.861 20 5 CFBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602482028 350901240 /nfs/dbraw/zinc/90/12/40/350901240.db2.gz FGFOFNFIEXVNNB-CYBMUJFWSA-N 1 0 280.372 2.729 20 5 CFBDRO CC(C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602503448 350907153 /nfs/dbraw/zinc/90/71/53/350907153.db2.gz JRSKFXRQOPLRRX-UHFFFAOYSA-N 1 0 263.297 2.872 20 5 CFBDRO CC[C@@H](C[C@H](C)CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602556366 350922633 /nfs/dbraw/zinc/92/26/33/350922633.db2.gz DMZZNXDANQRLLE-JSGCOSHPSA-N 1 0 280.368 2.524 20 5 CFBDRO CC(C)C[C@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602559984 350924183 /nfs/dbraw/zinc/92/41/83/350924183.db2.gz GRDABNVTBZUWON-HNNXBMFYSA-N 1 0 294.395 2.772 20 5 CFBDRO CCOC1CC(C[NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000602579836 350932438 /nfs/dbraw/zinc/93/24/38/350932438.db2.gz IANSXYSXLNFEPI-UHFFFAOYSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H]([NH2+]C1CC(n2cccn2)C1)c1ccccc1[N+](=O)[O-] ZINC000602582102 350933295 /nfs/dbraw/zinc/93/32/95/350933295.db2.gz KYVNOHNXZVCKHX-PNESKVBLSA-N 1 0 286.335 2.846 20 5 CFBDRO C[C@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000602581552 350933825 /nfs/dbraw/zinc/93/38/25/350933825.db2.gz KFFDPMHIOSUNBE-RYUDHWBXSA-N 1 0 264.325 2.815 20 5 CFBDRO C[N@H+](CCC[C@H]1CCO1)Cc1ccccc1[N+](=O)[O-] ZINC000602440734 350883643 /nfs/dbraw/zinc/88/36/43/350883643.db2.gz SHISCTOUKPNHEZ-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000602444267 350886082 /nfs/dbraw/zinc/88/60/82/350886082.db2.gz DOVPOPMQYLMRPN-MRVWCRGKSA-N 1 0 292.383 2.729 20 5 CFBDRO CCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602679704 350974993 /nfs/dbraw/zinc/97/49/93/350974993.db2.gz RQNWCKPBZVUOEN-UHFFFAOYSA-N 1 0 261.281 2.768 20 5 CFBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602705168 350990039 /nfs/dbraw/zinc/99/00/39/350990039.db2.gz ZUOPFUVVJDHMFX-SCZZXKLOSA-N 1 0 293.348 2.720 20 5 CFBDRO CCC1(CC)CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602711908 350993975 /nfs/dbraw/zinc/99/39/75/350993975.db2.gz RTELGFIOBSIQMX-UHFFFAOYSA-N 1 0 280.372 2.731 20 5 CFBDRO C[C@H]1C[C@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602606909 350943017 /nfs/dbraw/zinc/94/30/17/350943017.db2.gz HOZAYIQVODPRFU-DZGCQCFKSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000602777978 351021378 /nfs/dbraw/zinc/02/13/78/351021378.db2.gz AGOFVEDTMYCXTP-NWDGAFQWSA-N 1 0 280.372 2.610 20 5 CFBDRO CC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602785849 351025198 /nfs/dbraw/zinc/02/51/98/351025198.db2.gz YJWBHOMURRWCTM-ZDUSSCGKSA-N 1 0 280.372 2.612 20 5 CFBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000602807316 351032693 /nfs/dbraw/zinc/03/26/93/351032693.db2.gz XUHNIXCNTSYQCG-NWDGAFQWSA-N 1 0 288.351 2.610 20 5 CFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602811187 351035227 /nfs/dbraw/zinc/03/52/27/351035227.db2.gz LEWIPFCNJFCDBB-OLZOCXBDSA-N 1 0 280.372 2.658 20 5 CFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000602845199 351043191 /nfs/dbraw/zinc/04/31/91/351043191.db2.gz GHMQWUSOGQVUGQ-NEPJUHHUSA-N 1 0 280.372 2.514 20 5 CFBDRO CC(C)([NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000602843007 351043259 /nfs/dbraw/zinc/04/32/59/351043259.db2.gz XLHLYPBSAMGEQU-UHFFFAOYSA-N 1 0 287.319 2.720 20 5 CFBDRO Cn1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846938 351043858 /nfs/dbraw/zinc/04/38/58/351043858.db2.gz UEUSICZIYJBJST-QWHCGFSZSA-N 1 0 294.399 2.975 20 5 CFBDRO CCC[C@H]([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185569 351115934 /nfs/dbraw/zinc/11/59/34/351115934.db2.gz JAAXXCCFMOIUII-MFKMUULPSA-N 1 0 289.339 2.596 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000603435791 351163784 /nfs/dbraw/zinc/16/37/84/351163784.db2.gz ZGVDBZISESKYDF-MBNYWOFBSA-N 1 0 277.368 2.543 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603437080 351163830 /nfs/dbraw/zinc/16/38/30/351163830.db2.gz HSWFWFDEONIURO-ZYOFYTNHSA-N 1 0 290.363 2.915 20 5 CFBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000603857953 351187518 /nfs/dbraw/zinc/18/75/18/351187518.db2.gz QLHVCHSHSLHVSN-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO C[N@H+](CCOC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000604483508 351214491 /nfs/dbraw/zinc/21/44/91/351214491.db2.gz YZMXXUPPGRATAG-UHFFFAOYSA-N 1 0 266.341 2.842 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000604540073 351217575 /nfs/dbraw/zinc/21/75/75/351217575.db2.gz WBYYVLNWRAERLG-GFCCVEGCSA-N 1 0 281.331 2.701 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Oc2cc(-n3ccnc3)ncn2)c1 ZINC000610128216 351534640 /nfs/dbraw/zinc/53/46/40/351534640.db2.gz GVLCCDQMFUXBMO-UHFFFAOYSA-N 1 0 297.274 2.671 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000610133298 351535831 /nfs/dbraw/zinc/53/58/31/351535831.db2.gz BOSMICVGOUJZAO-NWDGAFQWSA-N 1 0 264.325 2.704 20 5 CFBDRO COC[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610604969 351585776 /nfs/dbraw/zinc/58/57/76/351585776.db2.gz HXRNITBLMMJAAI-LBPRGKRZSA-N 1 0 284.743 2.859 20 5 CFBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811061 351610832 /nfs/dbraw/zinc/61/08/32/351610832.db2.gz HXRDKVVDHFRUQH-GXTWGEPZSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(C)COC1 ZINC000610367471 351559798 /nfs/dbraw/zinc/55/97/98/351559798.db2.gz POBMYBXTWBPQDS-LLVKDONJSA-N 1 0 264.325 2.624 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000610370216 351561620 /nfs/dbraw/zinc/56/16/20/351561620.db2.gz XBQCDEXIHZYZHK-ZIAGYGMSSA-N 1 0 289.379 2.826 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000610370214 351561678 /nfs/dbraw/zinc/56/16/78/351561678.db2.gz XBQCDEXIHZYZHK-KGLIPLIRSA-N 1 0 289.379 2.826 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCCOC1)C1CC1 ZINC000610995238 351632608 /nfs/dbraw/zinc/63/26/08/351632608.db2.gz RNUSTHPTJLTRBL-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000611080217 351638415 /nfs/dbraw/zinc/63/84/15/351638415.db2.gz JKOXTQIGTKQKBB-UHFFFAOYSA-N 1 0 264.300 2.571 20 5 CFBDRO CC[N@@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092366 351639931 /nfs/dbraw/zinc/63/99/31/351639931.db2.gz RHHNIVQYZHDWHU-OLZOCXBDSA-N 1 0 277.368 2.682 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000611177502 351647784 /nfs/dbraw/zinc/64/77/84/351647784.db2.gz FVABXAUVHXXSEU-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOC3)CC2)cc1 ZINC000611177791 351647799 /nfs/dbraw/zinc/64/77/99/351647799.db2.gz LQMYVSILMCAOBR-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180464 351648474 /nfs/dbraw/zinc/64/84/74/351648474.db2.gz XXJYBUMKXULJLS-JTQLQIEISA-N 1 0 256.252 2.682 20 5 CFBDRO COc1cc(C[N@@H+]2CCCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000611516488 351702835 /nfs/dbraw/zinc/70/28/35/351702835.db2.gz YNMLZNBKYAHGEA-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO CCOc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611298468 351665116 /nfs/dbraw/zinc/66/51/16/351665116.db2.gz VGSQHWTXCOODAX-RYUDHWBXSA-N 1 0 293.367 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CSC2)cc1 ZINC000611564094 351708469 /nfs/dbraw/zinc/70/84/69/351708469.db2.gz CFLGZQUGVFTWNK-UHFFFAOYSA-N 1 0 266.366 2.623 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000611585250 351712032 /nfs/dbraw/zinc/71/20/32/351712032.db2.gz GRUWXZCTIILCDS-LBPRGKRZSA-N 1 0 288.351 2.793 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616865 351715616 /nfs/dbraw/zinc/71/56/16/351715616.db2.gz QJUSWBPMXHATJE-CYBMUJFWSA-N 1 0 292.383 2.750 20 5 CFBDRO C[C@@H](CCNc1cccnc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000612113638 351777405 /nfs/dbraw/zinc/77/74/05/351777405.db2.gz NRHOXMJHOYNWGD-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO COc1cc(C[N@H+]2CCC[C@@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000611943771 351754558 /nfs/dbraw/zinc/75/45/58/351754558.db2.gz WHKVXHKVMXQGMP-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(C2CC2)CC1 ZINC000612479070 351825415 /nfs/dbraw/zinc/82/54/15/351825415.db2.gz FVLVMRCJRWFRFR-UHFFFAOYSA-N 1 0 250.273 2.766 20 5 CFBDRO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612576886 351837638 /nfs/dbraw/zinc/83/76/38/351837638.db2.gz UVRKIQLVSGMWSX-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1(C)CC1 ZINC000122439660 187032232 /nfs/dbraw/zinc/03/22/32/187032232.db2.gz MAPAFBTUGWXGRP-SNVBAGLBSA-N 1 0 264.325 2.882 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122593544 187040198 /nfs/dbraw/zinc/04/01/98/187040198.db2.gz UNKYLPZPTSJZSL-LLVKDONJSA-N 1 0 297.786 2.632 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000123331671 187085188 /nfs/dbraw/zinc/08/51/88/187085188.db2.gz CLGMEPUJPTVQCY-TXEJJXNPSA-N 1 0 264.325 2.846 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123342420 187085875 /nfs/dbraw/zinc/08/58/75/187085875.db2.gz QDUKZFUGKQXTJS-WFASDCNBSA-N 1 0 277.368 2.509 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C[NH+](C)C ZINC000292005802 198132599 /nfs/dbraw/zinc/13/25/99/198132599.db2.gz YZOIIFCJQFIOMC-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCCO)C1CC1 ZINC000615835217 352247419 /nfs/dbraw/zinc/24/74/19/352247419.db2.gz BQLCACJDNGTJCU-JLHYYAGUSA-N 1 0 290.363 2.845 20 5 CFBDRO CC[C@@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000616487688 352358257 /nfs/dbraw/zinc/35/82/57/352358257.db2.gz CGAFUWNAMKZUBG-KEDPEKRHSA-N 1 0 276.336 2.767 20 5 CFBDRO CC[C@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000616865361 352435846 /nfs/dbraw/zinc/43/58/46/352435846.db2.gz MYPUNZJJIYNOJW-HNNXBMFYSA-N 1 0 294.351 2.522 20 5 CFBDRO COCC(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000292099445 198162662 /nfs/dbraw/zinc/16/26/62/198162662.db2.gz HSERZQWSOXWMNF-UHFFFAOYSA-N 1 0 266.341 2.760 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135215349 187807733 /nfs/dbraw/zinc/80/77/33/187807733.db2.gz MHBAPOCVMAHZTD-ONGXEEELSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590475 191230990 /nfs/dbraw/zinc/23/09/90/191230990.db2.gz YGVORSXREIBSED-GZMMTYOYSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618573001 352814898 /nfs/dbraw/zinc/81/48/98/352814898.db2.gz HIXSQBQJHXLRDW-IINYFYTJSA-N 1 0 278.352 2.721 20 5 CFBDRO CC(C)(C)[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292233919 198212464 /nfs/dbraw/zinc/21/24/64/198212464.db2.gz WBOLJZGRDZPOAA-CYBMUJFWSA-N 1 0 280.368 2.827 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)N(C)C)cccc1[N+](=O)[O-] ZINC000152612196 188032304 /nfs/dbraw/zinc/03/23/04/188032304.db2.gz YGPXDBTZYJSMIT-GFCCVEGCSA-N 1 0 279.384 2.894 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOC1 ZINC000153479261 188084857 /nfs/dbraw/zinc/08/48/57/188084857.db2.gz ZXEGDQBCSLKIGT-TZMCWYRMSA-N 1 0 278.352 2.685 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153755099 188101702 /nfs/dbraw/zinc/10/17/02/188101702.db2.gz JLBPRYNJKYUKBF-YPMHNXCESA-N 1 0 296.367 2.805 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153754868 188101811 /nfs/dbraw/zinc/10/18/11/188101811.db2.gz JLBPRYNJKYUKBF-AAEUAGOBSA-N 1 0 296.367 2.805 20 5 CFBDRO CCN(CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000155877563 188233002 /nfs/dbraw/zinc/23/30/02/188233002.db2.gz PQTOHXDCOVFYFH-GFCCVEGCSA-N 1 0 277.368 2.730 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000157220211 188303994 /nfs/dbraw/zinc/30/39/94/188303994.db2.gz XJZHIDHIBZAIHG-DLOVCJGASA-N 1 0 266.341 2.571 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000157387303 188313888 /nfs/dbraw/zinc/31/38/88/188313888.db2.gz YPDRKGANJVJBIY-JTQLQIEISA-N 1 0 294.742 2.796 20 5 CFBDRO C[N@H+](CCc1nccs1)Cc1ccccc1[N+](=O)[O-] ZINC000157917912 188346677 /nfs/dbraw/zinc/34/66/77/188346677.db2.gz COMJKVORCXJZSO-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO Cc1nc(NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000161499258 188531314 /nfs/dbraw/zinc/53/13/14/188531314.db2.gz OIMWIJJGVBQASL-UHFFFAOYSA-N 1 0 280.372 2.829 20 5 CFBDRO CC[C@H]([NH2+]CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000161860684 188548328 /nfs/dbraw/zinc/54/83/28/188548328.db2.gz ZQXAZVQOCMTDJM-AWEZNQCLSA-N 1 0 293.367 2.504 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000269098372 283099859 /nfs/dbraw/zinc/09/98/59/283099859.db2.gz PXXXONTYMXEYDZ-DGCLKSJQSA-N 1 0 293.342 2.654 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCCO ZINC000294679785 199130633 /nfs/dbraw/zinc/13/06/33/199130633.db2.gz BNDRPIVGBOKZAH-UONOGXRCSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@@H](CCCO)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294720257 199150049 /nfs/dbraw/zinc/15/00/49/199150049.db2.gz FLRXVQYYYYBBMP-GBVBUYCNSA-N 1 0 278.352 2.606 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000459458599 535411443 /nfs/dbraw/zinc/41/14/43/535411443.db2.gz FKVDREXOLGAISE-MGPQQGTHSA-N 1 0 296.392 2.593 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294833936 199204349 /nfs/dbraw/zinc/20/43/49/199204349.db2.gz RIINMPHLXULQHU-CMPLNLGQSA-N 1 0 261.325 2.936 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000294879099 199227596 /nfs/dbraw/zinc/22/75/96/199227596.db2.gz VKTGJKXSXNPGMR-CYBMUJFWSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000294922871 199250495 /nfs/dbraw/zinc/25/04/95/199250495.db2.gz GYCITWIVBHDXBR-ABAIWWIYSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000178427324 189115606 /nfs/dbraw/zinc/11/56/06/189115606.db2.gz ROIGMBOXIRQUHQ-STQMWFEESA-N 1 0 278.352 2.980 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178668162 189135942 /nfs/dbraw/zinc/13/59/42/189135942.db2.gz VWBWWGOKMIFPIH-DOMZBBRYSA-N 1 0 292.379 2.788 20 5 CFBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000179845389 189223596 /nfs/dbraw/zinc/22/35/96/189223596.db2.gz APQYSJQBGNZWKS-UHFFFAOYSA-N 1 0 290.323 2.875 20 5 CFBDRO CC(C)n1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000171841544 541011024 /nfs/dbraw/zinc/01/10/24/541011024.db2.gz BIOBLEGQOHXPPK-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000181070804 189287980 /nfs/dbraw/zinc/28/79/80/189287980.db2.gz SRRSWMLAPJPFLH-IHRRRGAJSA-N 1 0 264.325 2.549 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301401596 200997751 /nfs/dbraw/zinc/99/77/51/200997751.db2.gz CIXZAPZFEUHBMD-STQMWFEESA-N 1 0 277.368 2.761 20 5 CFBDRO Cc1cnc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301425068 201004031 /nfs/dbraw/zinc/00/40/31/201004031.db2.gz GJRPAACPZZBCIX-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301442040 201009193 /nfs/dbraw/zinc/00/91/93/201009193.db2.gz PDOJWFNMXPLAGO-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO CN(CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182164076 189315976 /nfs/dbraw/zinc/31/59/76/189315976.db2.gz VDFDAMTYUWWTOE-UHFFFAOYSA-N 1 0 294.742 2.577 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000182442668 189323803 /nfs/dbraw/zinc/32/38/03/189323803.db2.gz HGIMNIKNJVMSAP-GWCFXTLKSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000183060269 189344407 /nfs/dbraw/zinc/34/44/07/189344407.db2.gz TTXPOKPKALYEFK-NWDGAFQWSA-N 1 0 293.367 2.582 20 5 CFBDRO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183330453 189355023 /nfs/dbraw/zinc/35/50/23/189355023.db2.gz LUGHFDPAHSLPEI-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCC[NH+]1CCCCC1 ZINC000301730715 201163284 /nfs/dbraw/zinc/16/32/84/201163284.db2.gz DETACMJQYHHLAS-UHFFFAOYSA-N 1 0 298.774 2.931 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000183629105 189364532 /nfs/dbraw/zinc/36/45/32/189364532.db2.gz LUZSSXQXTHUUMQ-CYBMUJFWSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000183757784 189367455 /nfs/dbraw/zinc/36/74/55/189367455.db2.gz OVZDAUVPHKMOSG-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CC1=CC[N@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302130509 201354775 /nfs/dbraw/zinc/35/47/75/201354775.db2.gz BBZUVUMKGTYXRX-UHFFFAOYSA-N 1 0 296.758 2.707 20 5 CFBDRO Cc1nccnc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000187961365 189483738 /nfs/dbraw/zinc/48/37/38/189483738.db2.gz HZXOSCAXLSWADV-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275433302 193035737 /nfs/dbraw/zinc/03/57/37/193035737.db2.gz JIYWMOWWESPSBL-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO COC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000275839840 193144005 /nfs/dbraw/zinc/14/40/05/193144005.db2.gz JFLBAWABPLWOQL-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444659896 241160304 /nfs/dbraw/zinc/16/03/04/241160304.db2.gz IHRGYYJGAXGLBS-UHFFFAOYSA-N 1 0 274.324 2.703 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444770810 241190946 /nfs/dbraw/zinc/19/09/46/241190946.db2.gz FZCYSMSGWAEBNT-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)n1 ZINC000447542765 241382970 /nfs/dbraw/zinc/38/29/70/241382970.db2.gz QBGDRVIXTSMNNL-CHWSQXEVSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCO1 ZINC000449096609 241691329 /nfs/dbraw/zinc/69/13/29/241691329.db2.gz JBAJKGBFIQPPCE-JSGCOSHPSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(C)(C)C ZINC000449145764 241723583 /nfs/dbraw/zinc/72/35/83/241723583.db2.gz LWIISNPAKHDNTL-RISCZKNCSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC000449249497 241793741 /nfs/dbraw/zinc/79/37/41/241793741.db2.gz JHZVLDARGGLWKM-GXTWGEPZSA-N 1 0 278.352 2.685 20 5 CFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000449590765 242052784 /nfs/dbraw/zinc/05/27/84/242052784.db2.gz VSRGTGWWPJKIOQ-NSHDSACASA-N 1 0 286.397 2.885 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449625422 242074543 /nfs/dbraw/zinc/07/45/43/242074543.db2.gz RTNLHCNSFRWWNX-DYLGSBMWSA-N 1 0 276.336 2.623 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449565963 242036939 /nfs/dbraw/zinc/03/69/39/242036939.db2.gz LWVSVTHVCCZBNG-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2ccc3c([nH+]2)CCC3)c(F)c1 ZINC000449666097 242096989 /nfs/dbraw/zinc/09/69/89/242096989.db2.gz OMTFEEBSDLQWAO-UHFFFAOYSA-N 1 0 287.294 2.652 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c([nH+]1)CCC2 ZINC000449665853 242098441 /nfs/dbraw/zinc/09/84/41/242098441.db2.gz OCPBFWNWCBRIQG-UHFFFAOYSA-N 1 0 283.331 2.821 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNCc1csc([N+](=O)[O-])c1 ZINC000449782033 242159119 /nfs/dbraw/zinc/15/91/19/242159119.db2.gz KBKOYLFRKMHJSY-UHFFFAOYSA-N 1 0 283.397 2.620 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330414206 202792611 /nfs/dbraw/zinc/79/26/11/202792611.db2.gz ZXDLNJDRHIDYJH-SRVKXCTJSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1c(C[NH+]2CCC(CCCO)CC2)cccc1[N+](=O)[O-] ZINC000330807176 203258088 /nfs/dbraw/zinc/25/80/88/203258088.db2.gz MVCHQQPIMGCUPW-UHFFFAOYSA-N 1 0 292.379 2.888 20 5 CFBDRO COCCC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230863813 189811163 /nfs/dbraw/zinc/81/11/63/189811163.db2.gz PBSMDITZBYBHDQ-UHFFFAOYSA-N 1 0 272.370 2.809 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000135793984 296150855 /nfs/dbraw/zinc/15/08/55/296150855.db2.gz SHOFKQDONCLQKJ-DMDPSCGWSA-N 1 0 264.325 2.670 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000459767986 245313941 /nfs/dbraw/zinc/31/39/41/245313941.db2.gz FTIOZHZBHSHFDQ-FRRDWIJNSA-N 1 0 276.336 2.882 20 5 CFBDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000234059236 189821033 /nfs/dbraw/zinc/82/10/33/189821033.db2.gz UKXYLMFZIHRZFQ-GLQYFDAESA-N 1 0 278.352 2.797 20 5 CFBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023991738 372268633 /nfs/dbraw/zinc/26/86/33/372268633.db2.gz HUQPEEHUBVJDCR-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000034994691 372526818 /nfs/dbraw/zinc/52/68/18/372526818.db2.gz RRSNAUSCCVGIMJ-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000036721081 372586928 /nfs/dbraw/zinc/58/69/28/372586928.db2.gz VFJGRPZIKVKSJD-GWCFXTLKSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010515 372627859 /nfs/dbraw/zinc/62/78/59/372627859.db2.gz BRTGIPHQOCSGHL-AWEZNQCLSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[N@@H+]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037644323 372682517 /nfs/dbraw/zinc/68/25/17/372682517.db2.gz SCNIPCIXVAKVMT-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000037717987 372692091 /nfs/dbraw/zinc/69/20/91/372692091.db2.gz BKNUXNBZAMFZBI-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000037893395 372731589 /nfs/dbraw/zinc/73/15/89/372731589.db2.gz AGWPJMCUWUCXNY-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000037775528 372705992 /nfs/dbraw/zinc/70/59/92/372705992.db2.gz VFZBLZMQFGKAJR-ONGXEEELSA-N 1 0 252.339 2.751 20 5 CFBDRO C[C@H](CNCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000037997556 372756353 /nfs/dbraw/zinc/75/63/53/372756353.db2.gz YADDUOQMAXSJAV-CQSZACIVSA-N 1 0 291.395 2.806 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040775072 372788751 /nfs/dbraw/zinc/78/87/51/372788751.db2.gz MUTGOUYAHGPBKZ-DGCLKSJQSA-N 1 0 266.341 2.652 20 5 CFBDRO [NH3+]C1(c2noc(-c3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000041153339 372822430 /nfs/dbraw/zinc/82/24/30/372822430.db2.gz TYWRTCFEZULAIQ-UHFFFAOYSA-N 1 0 288.307 2.763 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000041158921 372822609 /nfs/dbraw/zinc/82/26/09/372822609.db2.gz BGRDZIUSKUNAIY-CQSZACIVSA-N 1 0 274.324 2.569 20 5 CFBDRO CC[NH+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000041894612 372865642 /nfs/dbraw/zinc/86/56/42/372865642.db2.gz KFRVRVBTTBUAEN-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000043411945 372989488 /nfs/dbraw/zinc/98/94/88/372989488.db2.gz JBUNAVADBDGMHG-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@H]([NH2+]CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000048261617 373157069 /nfs/dbraw/zinc/15/70/69/373157069.db2.gz ABLCQVXSAJDYRW-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000048336930 373165397 /nfs/dbraw/zinc/16/53/97/373165397.db2.gz ZIWATRNRFCKESX-UKRRQHHQSA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000048372037 373172512 /nfs/dbraw/zinc/17/25/12/373172512.db2.gz MUPLBBYEQLSVHY-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000050182638 373361087 /nfs/dbraw/zinc/36/10/87/373361087.db2.gz CTORDNNJPRTYTC-LLVKDONJSA-N 1 0 288.351 2.910 20 5 CFBDRO C[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000050351903 373370395 /nfs/dbraw/zinc/37/03/95/373370395.db2.gz XTCZARJTBZFFPJ-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@H]2CCCO)cccc1[N+](=O)[O-] ZINC000052762458 373451086 /nfs/dbraw/zinc/45/10/86/373451086.db2.gz OSTMOYPDUMUCJG-AWEZNQCLSA-N 1 0 278.352 2.640 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000057591115 373602184 /nfs/dbraw/zinc/60/21/84/373602184.db2.gz CIQGHUJNOHPJFX-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351249 373759058 /nfs/dbraw/zinc/75/90/58/373759058.db2.gz YTVJSEKLRVCBNY-ZOWXZIJZSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000063000090 373778179 /nfs/dbraw/zinc/77/81/79/373778179.db2.gz GDMNUSZZAGTIFD-OAHLLOKOSA-N 1 0 286.331 2.726 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000063002548 373780731 /nfs/dbraw/zinc/78/07/31/373780731.db2.gz HCHOXDGCDXWOAP-HNNXBMFYSA-N 1 0 286.331 2.726 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188302 373790277 /nfs/dbraw/zinc/79/02/77/373790277.db2.gz MMIVEROTUSVIAA-HOTGVXAUSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000066535072 373936498 /nfs/dbraw/zinc/93/64/98/373936498.db2.gz XLFFNNVKJWEHPW-MRXNPFEDSA-N 1 0 289.379 2.655 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC1CC1 ZINC000070102260 374125276 /nfs/dbraw/zinc/12/52/76/374125276.db2.gz SKLCETKLYHKYIU-JTQLQIEISA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571461722 383697258 /nfs/dbraw/zinc/69/72/58/383697258.db2.gz MNDIHZPIZBPNNR-JMSVASOKSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072601235 374268385 /nfs/dbraw/zinc/26/83/85/374268385.db2.gz HXQLGIJAXCACJP-LLVKDONJSA-N 1 0 279.340 2.572 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072601534 374268957 /nfs/dbraw/zinc/26/89/57/374268957.db2.gz KCMUEFPINNAPAD-SNVBAGLBSA-N 1 0 290.323 2.875 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072194 374529245 /nfs/dbraw/zinc/52/92/45/374529245.db2.gz VKOJAVVFFDXLHQ-ZDUSSCGKSA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277875668 193784247 /nfs/dbraw/zinc/78/42/47/193784247.db2.gz NQUIIFONNCDMBK-CABZTGNLSA-N 1 0 284.743 2.763 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000090217377 375003852 /nfs/dbraw/zinc/00/38/52/375003852.db2.gz DFOYMTKACLPUJH-RISCZKNCSA-N 1 0 278.352 2.979 20 5 CFBDRO CC(C)n1cncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000090208506 375003932 /nfs/dbraw/zinc/00/39/32/375003932.db2.gz ZZCIYPWTBPKMRY-UHFFFAOYSA-N 1 0 274.324 2.662 20 5 CFBDRO COc1cc(C[N@H+](C)CCC2CC2)c([N+](=O)[O-])cc1OC ZINC000092067131 375085639 /nfs/dbraw/zinc/08/56/39/375085639.db2.gz JPEUZVJKEAPYEX-UHFFFAOYSA-N 1 0 294.351 2.844 20 5 CFBDRO C[NH+](C)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091669474 375055328 /nfs/dbraw/zinc/05/53/28/375055328.db2.gz KRMGJNFPXKRQAB-FNORWQNLSA-N 1 0 289.379 2.634 20 5 CFBDRO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672421 375137985 /nfs/dbraw/zinc/13/79/85/375137985.db2.gz FQADMQIJJVVPTD-AAEUAGOBSA-N 1 0 275.352 2.940 20 5 CFBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOCC1CC1 ZINC000093818495 375315501 /nfs/dbraw/zinc/31/55/01/375315501.db2.gz YWOILTZENZUOEM-GQCTYLIASA-N 1 0 290.363 2.966 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820193 375316806 /nfs/dbraw/zinc/31/68/06/375316806.db2.gz UQBCBGBIJVHTTQ-HNNXBMFYSA-N 1 0 276.336 2.516 20 5 CFBDRO CC[C@@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000094954009 375396968 /nfs/dbraw/zinc/39/69/68/375396968.db2.gz GGALNODVDDMUOS-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000094368160 375356885 /nfs/dbraw/zinc/35/68/85/375356885.db2.gz ZJAVXXJHVSKWPB-CYBMUJFWSA-N 1 0 276.336 2.786 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094472679 375362530 /nfs/dbraw/zinc/36/25/30/375362530.db2.gz YPJFWJBRCUNIPY-ONGXEEELSA-N 1 0 252.339 2.578 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCCO1 ZINC000094774502 375377691 /nfs/dbraw/zinc/37/76/91/375377691.db2.gz BAJODGFFAYFUBR-GFCCVEGCSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774148 375377807 /nfs/dbraw/zinc/37/78/07/375377807.db2.gz SRHUTQJZRMMGGE-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094801046 375380932 /nfs/dbraw/zinc/38/09/32/375380932.db2.gz RVRJXFDDYXPDOW-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO Cc1ccc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000514176835 247228714 /nfs/dbraw/zinc/22/87/14/247228714.db2.gz WOOOGNRSSWVIFC-RISCZKNCSA-N 1 0 275.352 2.798 20 5 CFBDRO Cc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261651434 190042054 /nfs/dbraw/zinc/04/20/54/190042054.db2.gz JSOBXIDFJCEGOI-DGCLKSJQSA-N 1 0 291.351 2.749 20 5 CFBDRO CO[C@H](C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263763377 190076947 /nfs/dbraw/zinc/07/69/47/190076947.db2.gz BDPISPCBIMMHFG-HOSRBBHYSA-N 1 0 264.325 2.623 20 5 CFBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)C ZINC000263786740 190078299 /nfs/dbraw/zinc/07/82/99/190078299.db2.gz MRLWTIUSNDZMOT-UHFFFAOYSA-N 1 0 294.351 2.939 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000119777609 376470909 /nfs/dbraw/zinc/47/09/09/376470909.db2.gz JECMDSRCHJNWBX-VNHYZAJKSA-N 1 0 292.379 2.931 20 5 CFBDRO CCOC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263808072 190079928 /nfs/dbraw/zinc/07/99/28/190079928.db2.gz QBDPUTIUQNYBLK-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000119853123 376488599 /nfs/dbraw/zinc/48/85/99/376488599.db2.gz HFTZVRKNKQBRGQ-ZDUSSCGKSA-N 1 0 266.366 2.575 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124056921 377011889 /nfs/dbraw/zinc/01/18/89/377011889.db2.gz KSDSFXWBIIFGHM-WDEREUQCSA-N 1 0 298.770 2.984 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264913045 190144228 /nfs/dbraw/zinc/14/42/28/190144228.db2.gz FUFFHEDMGYNAHM-SNVBAGLBSA-N 1 0 283.759 2.636 20 5 CFBDRO COC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130031100 377504289 /nfs/dbraw/zinc/50/42/89/377504289.db2.gz ITQAIMOEQPZKPU-UHFFFAOYSA-N 1 0 278.352 2.685 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000129624327 377454610 /nfs/dbraw/zinc/45/46/10/377454610.db2.gz NNPGTHVTMJHBNU-GMTAPVOTSA-N 1 0 252.314 2.669 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129652992 377456494 /nfs/dbraw/zinc/45/64/94/377456494.db2.gz FMZGJFMWDRISAE-BPNCWPANSA-N 1 0 278.352 2.713 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129753570 377469998 /nfs/dbraw/zinc/46/99/98/377469998.db2.gz IPIVZLJRTKUDEG-UHFFFAOYSA-N 1 0 286.763 2.643 20 5 CFBDRO CCC[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129775022 377471706 /nfs/dbraw/zinc/47/17/06/377471706.db2.gz FBDWKEJDIUVDRQ-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](CC)CC ZINC000265409680 190180039 /nfs/dbraw/zinc/18/00/39/190180039.db2.gz BXHAONNSHDKNQU-CQSZACIVSA-N 1 0 293.367 2.962 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CC1)C1CC1 ZINC000131118246 377661528 /nfs/dbraw/zinc/66/15/28/377661528.db2.gz ZSBZFKFSQPEXNF-AWEZNQCLSA-N 1 0 260.337 2.916 20 5 CFBDRO CCC[C@@H]([NH2+][C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131272890 377686128 /nfs/dbraw/zinc/68/61/28/377686128.db2.gz BFRBUKGUESFXLL-GXTWGEPZSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CC1 ZINC000135302807 378113803 /nfs/dbraw/zinc/11/38/03/378113803.db2.gz DJCKNARZXYEWBS-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CC1 ZINC000135302420 378114222 /nfs/dbraw/zinc/11/42/22/378114222.db2.gz XTRGXENQLHSDRF-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135215333 378099410 /nfs/dbraw/zinc/09/94/10/378099410.db2.gz MHBAPOCVMAHZTD-MWLCHTKSSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1c(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000136175951 378185902 /nfs/dbraw/zinc/18/59/02/378185902.db2.gz JLPKSIVBWYKZCH-BXUZGUMPSA-N 1 0 278.352 2.639 20 5 CFBDRO COCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151641825 378344153 /nfs/dbraw/zinc/34/41/53/378344153.db2.gz BQPTWNPOQVMZPJ-CQSZACIVSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)N(C)C ZINC000152611789 378432413 /nfs/dbraw/zinc/43/24/13/378432413.db2.gz JBFUMIJAEHALKL-GFCCVEGCSA-N 1 0 279.384 2.894 20 5 CFBDRO CSCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153172834 378478685 /nfs/dbraw/zinc/47/86/85/378478685.db2.gz IIAJYKOGVOUOLQ-UHFFFAOYSA-N 1 0 266.366 2.706 20 5 CFBDRO Cc1ncc(CN2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000153187238 378480301 /nfs/dbraw/zinc/48/03/01/378480301.db2.gz SCOZICMFZYTOOT-UHFFFAOYSA-N 1 0 289.360 2.918 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000330391778 378543903 /nfs/dbraw/zinc/54/39/03/378543903.db2.gz ABEBFTPPSSSVNQ-GWCFXTLKSA-N 1 0 291.351 2.620 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330498926 378571562 /nfs/dbraw/zinc/57/15/62/378571562.db2.gz FDSBUUNIOJZZJY-LBPRGKRZSA-N 1 0 264.325 2.978 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)[C@@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000330497293 378572039 /nfs/dbraw/zinc/57/20/39/378572039.db2.gz XKQOXYLSRWKWDG-IUODEOHRSA-N 1 0 278.352 2.950 20 5 CFBDRO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000154525906 378576318 /nfs/dbraw/zinc/57/63/18/378576318.db2.gz NTRADRNHFYVGGM-AAEUAGOBSA-N 1 0 293.367 2.598 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000330524578 378577311 /nfs/dbraw/zinc/57/73/11/378577311.db2.gz POBCGHLMAQQDPR-NSHDSACASA-N 1 0 281.381 2.956 20 5 CFBDRO Cc1ccoc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000266129762 190233085 /nfs/dbraw/zinc/23/30/85/190233085.db2.gz CRLYHRGKKUYDHP-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)C1 ZINC000330580889 378588145 /nfs/dbraw/zinc/58/81/45/378588145.db2.gz UEABIPSASAZYOH-BXUZGUMPSA-N 1 0 264.325 2.503 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331302132 378666393 /nfs/dbraw/zinc/66/63/93/378666393.db2.gz RVBWAXYGJFNXIE-OAHLLOKOSA-N 1 0 278.352 2.722 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331302130 378666800 /nfs/dbraw/zinc/66/68/00/378666800.db2.gz RVBWAXYGJFNXIE-HNNXBMFYSA-N 1 0 278.352 2.722 20 5 CFBDRO C[C@@H](C1CCCCC1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000331343977 378675515 /nfs/dbraw/zinc/67/55/15/378675515.db2.gz PFDFAIYONBVJPN-LBPRGKRZSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194871 378692358 /nfs/dbraw/zinc/69/23/58/378692358.db2.gz JGWASPWJAHRFJS-ZWNOBZJWSA-N 1 0 298.770 2.984 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000331216751 378652235 /nfs/dbraw/zinc/65/22/35/378652235.db2.gz FFHCDNISRZBEIU-LBPRGKRZSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332246802 378740068 /nfs/dbraw/zinc/74/00/68/378740068.db2.gz QRDIZEPBZPTIEQ-UJDVCPFMSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159521648 378713780 /nfs/dbraw/zinc/71/37/80/378713780.db2.gz ATSHLDZDNHYKDN-ILXRZTDVSA-N 1 0 288.347 2.642 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159520796 378713942 /nfs/dbraw/zinc/71/39/42/378713942.db2.gz WZFLAJOGDMMLNA-ILXRZTDVSA-N 1 0 288.347 2.642 20 5 CFBDRO CCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000161924113 378880997 /nfs/dbraw/zinc/88/09/97/378880997.db2.gz GMHYIHVXRKBZJI-NSHDSACASA-N 1 0 252.314 2.590 20 5 CFBDRO CCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000161924236 378880253 /nfs/dbraw/zinc/88/02/53/378880253.db2.gz GMHYIHVXRKBZJI-LLVKDONJSA-N 1 0 252.314 2.590 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000163251936 378962451 /nfs/dbraw/zinc/96/24/51/378962451.db2.gz JOWHQHLVFNDGEN-SECBINFHSA-N 1 0 263.322 2.902 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000163421438 378971059 /nfs/dbraw/zinc/97/10/59/378971059.db2.gz VZMCBKBKUINABW-XAAFQQQXSA-N 1 0 298.408 2.711 20 5 CFBDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000166116165 379049178 /nfs/dbraw/zinc/04/91/78/379049178.db2.gz NFAOSNJYFZHURO-UWVGGRQHSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451904116 383735810 /nfs/dbraw/zinc/73/58/10/383735810.db2.gz QONSQFZWKPIRLQ-MRXNPFEDSA-N 1 0 290.363 2.640 20 5 CFBDRO COc1ccc(OCC[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000266526965 190264187 /nfs/dbraw/zinc/26/41/87/190264187.db2.gz KSKIWWPYMITTFL-UHFFFAOYSA-N 1 0 282.340 2.570 20 5 CFBDRO CSCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000266607050 190270752 /nfs/dbraw/zinc/27/07/52/190270752.db2.gz BCNWKLWVAIWLFE-UHFFFAOYSA-N 1 0 254.355 2.780 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000171708175 379381245 /nfs/dbraw/zinc/38/12/45/379381245.db2.gz GAJGVKOHCHETQM-HNNXBMFYSA-N 1 0 289.379 2.655 20 5 CFBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000266825286 190282695 /nfs/dbraw/zinc/28/26/95/190282695.db2.gz CSTDNZFRERDSSL-MZPVMMEZSA-N 1 0 298.342 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(F)c1 ZINC000267009420 190296868 /nfs/dbraw/zinc/29/68/68/190296868.db2.gz HBJUPYAQRKCFQC-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267010997 190296908 /nfs/dbraw/zinc/29/69/08/190296908.db2.gz MKWVGEHULLKFIK-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173375419 379731984 /nfs/dbraw/zinc/73/19/84/379731984.db2.gz FEQSZRBXIFOTRQ-OLZOCXBDSA-N 1 0 279.384 2.976 20 5 CFBDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173423061 379735835 /nfs/dbraw/zinc/73/58/35/379735835.db2.gz VJMRCKHKMKROSY-PRWKNARSSA-N 1 0 298.408 2.793 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000174308194 379861865 /nfs/dbraw/zinc/86/18/65/379861865.db2.gz YWMVELWTUNALCR-LBPRGKRZSA-N 1 0 283.397 2.572 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000174841585 379949487 /nfs/dbraw/zinc/94/94/87/379949487.db2.gz CSFWTILMPIAQJD-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174866127 379953079 /nfs/dbraw/zinc/95/30/79/379953079.db2.gz BADYLNFAULLCNJ-CYBMUJFWSA-N 1 0 294.399 2.940 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1COC ZINC000178338705 380438416 /nfs/dbraw/zinc/43/84/16/380438416.db2.gz XPXYNWVQIBTKIL-LBPRGKRZSA-N 1 0 295.383 2.883 20 5 CFBDRO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000336791203 380638146 /nfs/dbraw/zinc/63/81/46/380638146.db2.gz MUKZKXORHIHTCK-SECBINFHSA-N 1 0 271.748 2.858 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000336792093 380639811 /nfs/dbraw/zinc/63/98/11/380639811.db2.gz QMOQJGWIJAUCAH-VIFPVBQESA-N 1 0 271.748 2.858 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000336796558 380644951 /nfs/dbraw/zinc/64/49/51/380644951.db2.gz UDIBVJZWYZTYFA-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1ccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000347010029 380873248 /nfs/dbraw/zinc/87/32/48/380873248.db2.gz SZPIEBIKQYEQBL-GXTWGEPZSA-N 1 0 277.368 2.605 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000279275447 194363616 /nfs/dbraw/zinc/36/36/16/194363616.db2.gz JPRXZCDDKNVRQJ-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347170157 380982681 /nfs/dbraw/zinc/98/26/81/380982681.db2.gz MZYILBAEGJRKMZ-MTENODCZSA-N 1 0 289.379 2.810 20 5 CFBDRO C[C@H](C[NH3+])N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347101539 380940080 /nfs/dbraw/zinc/94/00/80/380940080.db2.gz KXCTUALUYAJWHA-LLVKDONJSA-N 1 0 289.335 2.634 20 5 CFBDRO COc1ccc(OCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000341339202 380946840 /nfs/dbraw/zinc/94/68/40/380946840.db2.gz MMVQOYLAAMIZTO-UHFFFAOYSA-N 1 0 294.351 2.858 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411943008 381065093 /nfs/dbraw/zinc/06/50/93/381065093.db2.gz MKZKDDTZOUAHFL-SJORKVTESA-N 1 0 298.342 2.903 20 5 CFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000411952578 381068263 /nfs/dbraw/zinc/06/82/63/381068263.db2.gz REIBVZYUMXZTOQ-ZANVPECISA-N 1 0 284.381 2.950 20 5 CFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411951135 381068837 /nfs/dbraw/zinc/06/88/37/381068837.db2.gz PRTAKZNKSYALKC-XHDPSFHLSA-N 1 0 278.352 2.888 20 5 CFBDRO CCC[N@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347376174 381108227 /nfs/dbraw/zinc/10/82/27/381108227.db2.gz ZRTKMEKYICWHBV-JLHYYAGUSA-N 1 0 278.352 2.702 20 5 CFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000183300389 381251700 /nfs/dbraw/zinc/25/17/00/381251700.db2.gz ZNNUWSQFSWRITI-WFASDCNBSA-N 1 0 278.352 2.903 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c(F)c1 ZINC000342290570 381252297 /nfs/dbraw/zinc/25/22/97/381252297.db2.gz MVGGLXUJMUKAGZ-NXEZZACHSA-N 1 0 256.252 2.714 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](C(C)C)CC2)n1 ZINC000359081508 381254515 /nfs/dbraw/zinc/25/45/15/381254515.db2.gz JOBJNIJISGNBLY-UHFFFAOYSA-N 1 0 292.383 2.527 20 5 CFBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616371 381257231 /nfs/dbraw/zinc/25/72/31/381257231.db2.gz LSZODEWKAJQYEB-CHWSQXEVSA-N 1 0 294.399 2.938 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000183370230 381263231 /nfs/dbraw/zinc/26/32/31/381263231.db2.gz PAGHPZRGOMQJRM-OKILXGFUSA-N 1 0 260.337 2.991 20 5 CFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000354352856 381221404 /nfs/dbraw/zinc/22/14/04/381221404.db2.gz RTMVHWMAYBCSLS-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279402818 194417398 /nfs/dbraw/zinc/41/73/98/194417398.db2.gz ZRYJMKVRXFIWOM-UHIISALHSA-N 1 0 291.351 2.700 20 5 CFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000296039423 381225301 /nfs/dbraw/zinc/22/53/01/381225301.db2.gz MYZVXHTWMCRCHO-GFCCVEGCSA-N 1 0 296.342 2.717 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342287635 381249773 /nfs/dbraw/zinc/24/97/73/381249773.db2.gz AYKPBISSVLYFLX-WDEREUQCSA-N 1 0 268.288 2.584 20 5 CFBDRO CC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356197 381292551 /nfs/dbraw/zinc/29/25/51/381292551.db2.gz GDFZVAZMVKBJNJ-GXFFZTMASA-N 1 0 291.351 2.692 20 5 CFBDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296240738 381316467 /nfs/dbraw/zinc/31/64/67/381316467.db2.gz ATOOXGYZGHETRG-ZYHUDNBSSA-N 1 0 281.356 2.643 20 5 CFBDRO Cc1c[nH]nc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290399764 381412105 /nfs/dbraw/zinc/41/21/05/381412105.db2.gz KHAVRYRYAAWGEJ-UHFFFAOYSA-N 1 0 286.335 2.791 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296454860 381402967 /nfs/dbraw/zinc/40/29/67/381402967.db2.gz MYEFSYAKZXBIIK-RWSFTLGLSA-N 1 0 295.383 2.889 20 5 CFBDRO COc1cc(C[N@H+](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342610436 381433766 /nfs/dbraw/zinc/43/37/66/381433766.db2.gz WTHGHSHKUIGCAJ-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296567072 381452638 /nfs/dbraw/zinc/45/26/38/381452638.db2.gz SPOJGXNMGOMLLA-LBPRGKRZSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521904 381464139 /nfs/dbraw/zinc/46/41/39/381464139.db2.gz QBOLFXUIYXMWMG-ZFWWWQNUSA-N 1 0 291.395 2.675 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000370705968 381494007 /nfs/dbraw/zinc/49/40/07/381494007.db2.gz KNXULGWLOQUHIC-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000348469685 381581633 /nfs/dbraw/zinc/58/16/33/381581633.db2.gz OJOMWVHULBNOOE-CYBMUJFWSA-N 1 0 284.331 2.885 20 5 CFBDRO C[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290811631 381560508 /nfs/dbraw/zinc/56/05/08/381560508.db2.gz REHYAPKFXFLKQA-VHSXEESVSA-N 1 0 279.315 2.771 20 5 CFBDRO C[C@@H]1[C@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342828051 381571925 /nfs/dbraw/zinc/57/19/25/381571925.db2.gz AQDBRSOFHLATJS-MWLCHTKSSA-N 1 0 267.304 2.629 20 5 CFBDRO CC1(C)CCC[NH2+][C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000414927191 381616393 /nfs/dbraw/zinc/61/63/93/381616393.db2.gz LOQGNUXEFHAUOK-LLVKDONJSA-N 1 0 283.397 2.524 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355112142 381619151 /nfs/dbraw/zinc/61/91/51/381619151.db2.gz NDWHYVUTBOZSFM-UONOGXRCSA-N 1 0 276.336 2.596 20 5 CFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000291021205 381635151 /nfs/dbraw/zinc/63/51/51/381635151.db2.gz XSOHWSDZYZJJJL-LBPRGKRZSA-N 1 0 284.381 2.543 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355141437 381639309 /nfs/dbraw/zinc/63/93/09/381639309.db2.gz YERAVSNYURFXRL-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348713166 381681825 /nfs/dbraw/zinc/68/18/25/381681825.db2.gz VTFPQAYGFCUTNN-BTKRWWFXSA-N 1 0 276.336 2.719 20 5 CFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616568 381682912 /nfs/dbraw/zinc/68/29/12/381682912.db2.gz QTWZJDPDHPYJRR-YPMHNXCESA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)c1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415005810 381698308 /nfs/dbraw/zinc/69/83/08/381698308.db2.gz JUSORARVNPLXOH-MNOVXSKESA-N 1 0 265.357 2.544 20 5 CFBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415007586 381701179 /nfs/dbraw/zinc/70/11/79/381701179.db2.gz LOSJNEVLCUKLBE-MNOVXSKESA-N 1 0 289.335 2.680 20 5 CFBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000359968172 381703581 /nfs/dbraw/zinc/70/35/81/381703581.db2.gz OCFMVYXRYZRVOS-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO CC(C)(C)[C@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000415051429 381735994 /nfs/dbraw/zinc/73/59/94/381735994.db2.gz JSMOFJSKHNMAKV-QPBFKRLHSA-N 1 0 277.368 2.571 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185821613 381745739 /nfs/dbraw/zinc/74/57/39/381745739.db2.gz XBGASYCPDHPOFX-VUDBWIFFSA-N 1 0 284.743 2.665 20 5 CFBDRO COC[C@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000372096701 381749543 /nfs/dbraw/zinc/74/95/43/381749543.db2.gz UELIZNSSSKDUFR-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO CCN(CC)[C@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355280241 381721989 /nfs/dbraw/zinc/72/19/89/381721989.db2.gz MNRGWDNSTYLZOZ-QQBNSCQMSA-N 1 0 291.395 2.928 20 5 CFBDRO CCC[C@H](C)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271861 381783528 /nfs/dbraw/zinc/78/35/28/381783528.db2.gz DWYRRWRUIDXUAL-QWHCGFSZSA-N 1 0 280.372 2.864 20 5 CFBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348905509 381762381 /nfs/dbraw/zinc/76/23/81/381762381.db2.gz QYFGGBCMUBIWIR-UHFFFAOYSA-N 1 0 285.347 2.869 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360211575 381770705 /nfs/dbraw/zinc/77/07/05/381770705.db2.gz FJKLXHVNKGWAMW-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000291833751 381774048 /nfs/dbraw/zinc/77/40/48/381774048.db2.gz OGOVNXGTOUWFHD-CQSZACIVSA-N 1 0 294.351 2.603 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000343591538 381822155 /nfs/dbraw/zinc/82/21/55/381822155.db2.gz ZFUJZQJNKWNLHR-AWEZNQCLSA-N 1 0 286.335 2.569 20 5 CFBDRO CC(C)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000292875581 381878589 /nfs/dbraw/zinc/87/85/89/381878589.db2.gz BQAVPAFPFQUMOL-UHFFFAOYSA-N 1 0 264.325 2.752 20 5 CFBDRO CC(C)C1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000186196673 381849787 /nfs/dbraw/zinc/84/97/87/381849787.db2.gz FMAHKPVOSSCSDQ-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349210500 381849744 /nfs/dbraw/zinc/84/97/44/381849744.db2.gz FHNDVKFLCSDKPN-VHSXEESVSA-N 1 0 283.759 2.777 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292907180 381897451 /nfs/dbraw/zinc/89/74/51/381897451.db2.gz HABGSRMGRPQIPL-MRXNPFEDSA-N 1 0 289.379 2.513 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000292974752 381928732 /nfs/dbraw/zinc/92/87/32/381928732.db2.gz FCRIBNNHBDDSQX-LBPRGKRZSA-N 1 0 293.342 2.656 20 5 CFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000343884674 382003115 /nfs/dbraw/zinc/00/31/15/382003115.db2.gz FMVKBQDWUIXPJM-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000293102263 381991861 /nfs/dbraw/zinc/99/18/61/381991861.db2.gz QHKURYFIPBKAGM-AWEZNQCLSA-N 1 0 296.342 2.621 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CC2 ZINC000417345017 382047643 /nfs/dbraw/zinc/04/76/43/382047643.db2.gz XDGFOYHLORPPAU-DGCLKSJQSA-N 1 0 260.337 2.916 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000343995766 382056287 /nfs/dbraw/zinc/05/62/87/382056287.db2.gz ZVJHYKAJVACQMX-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000374990015 382063314 /nfs/dbraw/zinc/06/33/14/382063314.db2.gz RPKKIPPOLUXVES-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)c(F)c1 ZINC000344015895 382070440 /nfs/dbraw/zinc/07/04/40/382070440.db2.gz YOFDCYWLKQQIEF-NSHDSACASA-N 1 0 264.300 2.966 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000301074202 382074726 /nfs/dbraw/zinc/07/47/26/382074726.db2.gz IETJDCFWVQIXTQ-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC2(CC2)C1 ZINC000187008238 382076073 /nfs/dbraw/zinc/07/60/73/382076073.db2.gz LPKRUPBTAARPCW-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293317080 382076903 /nfs/dbraw/zinc/07/69/03/382076903.db2.gz XIFVQHPWZOUBLZ-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351938522 382079803 /nfs/dbraw/zinc/07/98/03/382079803.db2.gz WLTOXWYLBCEFON-MNOVXSKESA-N 1 0 296.392 2.929 20 5 CFBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000301134315 382089462 /nfs/dbraw/zinc/08/94/62/382089462.db2.gz XBXDVTPYXXSDGD-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CCOCC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000293365755 382095777 /nfs/dbraw/zinc/09/57/77/382095777.db2.gz UYJYBGIZTUANOB-UHFFFAOYSA-N 1 0 266.341 2.542 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301604428 382180219 /nfs/dbraw/zinc/18/02/19/382180219.db2.gz LUUANWIGOJOQMH-ZDUSSCGKSA-N 1 0 277.368 2.985 20 5 CFBDRO CCc1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000344109393 382134342 /nfs/dbraw/zinc/13/43/42/382134342.db2.gz KNDKLOQBCAHSJD-UHFFFAOYSA-N 1 0 291.376 2.946 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000301310508 382145080 /nfs/dbraw/zinc/14/50/80/382145080.db2.gz ZSBKVEFJPOPBMF-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1nc(N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363449416 382233240 /nfs/dbraw/zinc/23/32/40/382233240.db2.gz KNEMXCMCTLHDEG-AWEZNQCLSA-N 1 0 298.346 2.897 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000187672312 382242914 /nfs/dbraw/zinc/24/29/14/382242914.db2.gz MPVYGSRHTGXBTE-BPNCWPANSA-N 1 0 278.352 2.713 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722755 382251572 /nfs/dbraw/zinc/25/15/72/382251572.db2.gz PRDTUXPHVMDSLP-WCQYABFASA-N 1 0 279.384 2.752 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000302502676 382258971 /nfs/dbraw/zinc/25/89/71/382258971.db2.gz PHFCRJCFKJSUJP-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956868 382309824 /nfs/dbraw/zinc/30/98/24/382309824.db2.gz YPEGTKLVGMEJLN-CZUORRHYSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000187964424 382311309 /nfs/dbraw/zinc/31/13/09/382311309.db2.gz UAZPAWRYQWHCCR-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000293862056 382311273 /nfs/dbraw/zinc/31/12/73/382311273.db2.gz UPLWXAYLIGOEBA-QMMMGPOBSA-N 1 0 292.364 2.793 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188006872 382323208 /nfs/dbraw/zinc/32/32/08/382323208.db2.gz XGOIQVDRMLYBIA-LALPHHSUSA-N 1 0 278.352 2.797 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302822265 382326309 /nfs/dbraw/zinc/32/63/09/382326309.db2.gz SDGLHAVPXDQQOO-WCQYABFASA-N 1 0 293.342 2.654 20 5 CFBDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294004990 382375836 /nfs/dbraw/zinc/37/58/36/382375836.db2.gz CYCXXEOSTOQXBD-ZUZCIYMTSA-N 1 0 293.367 2.643 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420365753 382387035 /nfs/dbraw/zinc/38/70/35/382387035.db2.gz LMJQWRLFDUSATB-BCUIYNNISA-N 1 0 291.395 2.940 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420368297 382388863 /nfs/dbraw/zinc/38/88/63/382388863.db2.gz NNELPFHLYDKOOO-GPCCPHFNSA-N 1 0 297.786 2.724 20 5 CFBDRO C[C@@H](CO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555359 382394450 /nfs/dbraw/zinc/39/44/50/382394450.db2.gz MCOPCTXQSHTVHJ-LRDDRELGSA-N 1 0 286.331 2.655 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000352667574 382442603 /nfs/dbraw/zinc/44/26/03/382442603.db2.gz LKWGDGOWHLYSJL-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000279643085 194510288 /nfs/dbraw/zinc/51/02/88/194510288.db2.gz JNXYLFPZWQLMFY-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000357996707 382402929 /nfs/dbraw/zinc/40/29/29/382402929.db2.gz SJQBBUMKBBLZKU-ZDUSSCGKSA-N 1 0 266.341 2.746 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304437918 382409374 /nfs/dbraw/zinc/40/93/74/382409374.db2.gz FHMVDDLNZXCWLQ-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352608819 382414745 /nfs/dbraw/zinc/41/47/45/382414745.db2.gz OUURYFBJSOULQF-YPMHNXCESA-N 1 0 294.326 2.592 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188807464 382480331 /nfs/dbraw/zinc/48/03/31/382480331.db2.gz NIJOQKIIQQYMNQ-OCCSQVGLSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000420899434 382491895 /nfs/dbraw/zinc/49/18/95/382491895.db2.gz GZNJEPAKFSPMPZ-DGCLKSJQSA-N 1 0 264.325 2.594 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn[nH]c1 ZINC000353190043 382523326 /nfs/dbraw/zinc/52/33/26/382523326.db2.gz INUADRWSRXEBME-GHXNOFRVSA-N 1 0 286.335 2.554 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406960 382505890 /nfs/dbraw/zinc/50/58/90/382505890.db2.gz BDXVZEZLTJRELN-GOEBONIOSA-N 1 0 289.379 2.511 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000358217696 382509652 /nfs/dbraw/zinc/50/96/52/382509652.db2.gz CUSAGABPSRTVNB-NWDGAFQWSA-N 1 0 296.392 2.844 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC(F)(F)C2)c(F)c1 ZINC000383319384 382543653 /nfs/dbraw/zinc/54/36/53/382543653.db2.gz XKLOJWGEJGHJPW-UHFFFAOYSA-N 1 0 274.242 2.869 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)O1 ZINC000294949812 382545710 /nfs/dbraw/zinc/54/57/10/382545710.db2.gz CCBNPSXRDLXEHW-VYUIOLGVSA-N 1 0 284.743 2.904 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189107787 382545670 /nfs/dbraw/zinc/54/56/70/382545670.db2.gz ZUHLUTNPJIRGMX-DTWKUNHWSA-N 1 0 272.732 2.761 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000366816927 382551033 /nfs/dbraw/zinc/55/10/33/382551033.db2.gz BXWUUPQWWVNIOI-GFCCVEGCSA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000346868992 382551854 /nfs/dbraw/zinc/55/18/54/382551854.db2.gz JTAFBNSCYRRVQD-OLZOCXBDSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@@H]([N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC000382804080 382536199 /nfs/dbraw/zinc/53/61/99/382536199.db2.gz VUGQARPYIUTFFT-SECBINFHSA-N 1 0 286.759 2.839 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000189081939 382538099 /nfs/dbraw/zinc/53/80/99/382538099.db2.gz ABXJXBMBZRMJKC-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000353648888 382593593 /nfs/dbraw/zinc/59/35/93/382593593.db2.gz MJNXGSWSHUKSBP-OLZOCXBDSA-N 1 0 296.367 2.605 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000388321102 382606070 /nfs/dbraw/zinc/60/60/70/382606070.db2.gz XIEJDNVEYUCOPX-PELKAZGASA-N 1 0 270.354 2.559 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353743224 382622760 /nfs/dbraw/zinc/62/27/60/382622760.db2.gz BPOFHFOQXUYDQP-ZFWWWQNUSA-N 1 0 291.395 2.899 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000394085495 382626291 /nfs/dbraw/zinc/62/62/91/382626291.db2.gz NARSZUYBAOAKAD-WCQYABFASA-N 1 0 266.341 2.510 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000189677994 382634686 /nfs/dbraw/zinc/63/46/86/382634686.db2.gz WCSAXWQACOONMX-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@@H]([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833400 382642441 /nfs/dbraw/zinc/64/24/41/382642441.db2.gz GUJGFGBTHAENIU-SECBINFHSA-N 1 0 274.267 2.527 20 5 CFBDRO CO[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000191143518 382692754 /nfs/dbraw/zinc/69/27/54/382692754.db2.gz AFFCEHRIRKFLCL-LLVKDONJSA-N 1 0 290.319 2.979 20 5 CFBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192190100 382705407 /nfs/dbraw/zinc/70/54/07/382705407.db2.gz DYQWJRZAQLRBBJ-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192517729 382709761 /nfs/dbraw/zinc/70/97/61/382709761.db2.gz ZOYIYKXHHLYVAH-UHFFFAOYSA-N 1 0 298.412 2.610 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCCCO)C1CC1 ZINC000192932715 382713761 /nfs/dbraw/zinc/71/37/61/382713761.db2.gz JMSROZHWZRUJMB-HNNXBMFYSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@H]([NH2+]CCn1cc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000336839513 382730923 /nfs/dbraw/zinc/73/09/23/382730923.db2.gz OTWVCOOHMUQTNX-JTQLQIEISA-N 1 0 294.742 2.796 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cs1 ZINC000337288066 382794795 /nfs/dbraw/zinc/79/47/95/382794795.db2.gz LJDKDAZZCWPELV-RKDXNWHRSA-N 1 0 292.307 2.906 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337249794 382785420 /nfs/dbraw/zinc/78/54/20/382785420.db2.gz MECHPIOKMDCONX-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000194416469 382743278 /nfs/dbraw/zinc/74/32/78/382743278.db2.gz IBRCLTKAKXOOHC-UHFFFAOYSA-N 1 0 296.330 2.575 20 5 CFBDRO COCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000228440808 382846664 /nfs/dbraw/zinc/84/66/64/382846664.db2.gz XTFPXCJXPAZFCO-UHFFFAOYSA-N 1 0 261.281 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000337297133 382796781 /nfs/dbraw/zinc/79/67/81/382796781.db2.gz OQHTZGSGUORZNX-VXGBXAGGSA-N 1 0 286.278 2.845 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000222535754 382802483 /nfs/dbraw/zinc/80/24/83/382802483.db2.gz DZNZYAGXSFWCKH-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCCCCO)cc1[N+](=O)[O-] ZINC000223913309 382807526 /nfs/dbraw/zinc/80/75/26/382807526.db2.gz QQSNPYZBPXJCMD-LBPRGKRZSA-N 1 0 266.341 2.716 20 5 CFBDRO CCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000576339420 382819115 /nfs/dbraw/zinc/81/91/15/382819115.db2.gz NWCDYXBZXPTTDH-UHFFFAOYSA-N 1 0 291.351 2.703 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000576356901 382819808 /nfs/dbraw/zinc/81/98/08/382819808.db2.gz IDNFPUUORWSNIP-LBPRGKRZSA-N 1 0 274.324 2.749 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576597509 382828816 /nfs/dbraw/zinc/82/88/16/382828816.db2.gz UUBLJQSVGBOPCC-DZGCQCFKSA-N 1 0 278.352 2.579 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000227337939 382835829 /nfs/dbraw/zinc/83/58/29/382835829.db2.gz VLENZWRWZPRYSZ-AWEZNQCLSA-N 1 0 264.325 2.644 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000227835061 382841146 /nfs/dbraw/zinc/84/11/46/382841146.db2.gz VIZGQHSXJKKZQZ-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO C[NH+]1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227889530 382841968 /nfs/dbraw/zinc/84/19/68/382841968.db2.gz XBFIDFUIUWKORQ-UHFFFAOYSA-N 1 0 285.294 2.627 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000227920675 382842640 /nfs/dbraw/zinc/84/26/40/382842640.db2.gz RKCFNBXUGOTLOP-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681676 382854825 /nfs/dbraw/zinc/85/48/25/382854825.db2.gz IBBSYKXXTRCZGE-JQWIXIFHSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577608387 382864475 /nfs/dbraw/zinc/86/44/75/382864475.db2.gz FZNYUKZSWHBAGU-ZIAGYGMSSA-N 1 0 289.379 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC(F)F)c(Cl)c1 ZINC000337864344 382871884 /nfs/dbraw/zinc/87/18/84/382871884.db2.gz NPDDMKNWUHIAQD-UHFFFAOYSA-N 1 0 294.685 2.967 20 5 CFBDRO CSC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000235231359 382877975 /nfs/dbraw/zinc/87/79/75/382877975.db2.gz WBKDALADWRQEQW-UHFFFAOYSA-N 1 0 266.366 2.623 20 5 CFBDRO Cc1cccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000338705253 383028250 /nfs/dbraw/zinc/02/82/50/383028250.db2.gz FZCVEPQTHXYXRG-CQSZACIVSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245859139 383040639 /nfs/dbraw/zinc/04/06/39/383040639.db2.gz FBMGVGYJNMMMSJ-FZMZJTMJSA-N 1 0 264.325 2.503 20 5 CFBDRO CCOc1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338795455 383054153 /nfs/dbraw/zinc/05/41/53/383054153.db2.gz PLSPFCYSYFYJNU-RYUDHWBXSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423375816 383071520 /nfs/dbraw/zinc/07/15/20/383071520.db2.gz IWXRBEFDHXUDHF-RISCZKNCSA-N 1 0 265.357 2.634 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccncc3)c2c1 ZINC000579519914 383024278 /nfs/dbraw/zinc/02/42/78/383024278.db2.gz WCWHRCKVXCOPRH-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000447901836 383027309 /nfs/dbraw/zinc/02/73/09/383027309.db2.gz IBBBLLMBTNUJHQ-HNNXBMFYSA-N 1 0 291.395 2.805 20 5 CFBDRO Cc1noc(C)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449096312 383173760 /nfs/dbraw/zinc/17/37/60/383173760.db2.gz GKLJRJQSPZZWBN-SNVBAGLBSA-N 1 0 289.335 2.920 20 5 CFBDRO CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247505177 383179083 /nfs/dbraw/zinc/17/90/83/383179083.db2.gz IUMPPIJZUSZIGG-NWDGAFQWSA-N 1 0 293.367 2.900 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCC1 ZINC000449262992 383188505 /nfs/dbraw/zinc/18/85/05/383188505.db2.gz GLXUTVDOAWLGGW-ZDUSSCGKSA-N 1 0 291.395 2.600 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247966815 383203261 /nfs/dbraw/zinc/20/32/61/383203261.db2.gz GXMUOCHMOKOEFY-QWHCGFSZSA-N 1 0 295.408 2.572 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339621253 383265936 /nfs/dbraw/zinc/26/59/36/383265936.db2.gz IBGNXKBATDOQNR-RWMBFGLXSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000449403461 383266445 /nfs/dbraw/zinc/26/64/45/383266445.db2.gz PYTSQXGFHJSETD-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248341807 383225811 /nfs/dbraw/zinc/22/58/11/383225811.db2.gz JEHOJJIWAPYOPF-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO CCCCOCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519768521 383233910 /nfs/dbraw/zinc/23/39/10/383233910.db2.gz IHQZFSVQSSWURD-AWEZNQCLSA-N 1 0 278.352 2.988 20 5 CFBDRO CC(C)CC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000519797887 383235312 /nfs/dbraw/zinc/23/53/12/383235312.db2.gz OTRMUAMWDBLLNX-AWEZNQCLSA-N 1 0 292.379 2.750 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[C@H]1O ZINC000248411260 383237868 /nfs/dbraw/zinc/23/78/68/383237868.db2.gz DPRFWMGTJRCRGW-BXUZGUMPSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cc[nH]n1)CCCC2 ZINC000567096053 383239811 /nfs/dbraw/zinc/23/98/11/383239811.db2.gz VOGUBOWKAUYIRJ-OAHLLOKOSA-N 1 0 286.335 2.875 20 5 CFBDRO CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000567915235 383330541 /nfs/dbraw/zinc/33/05/41/383330541.db2.gz LRVIDZUBCLHULQ-AWEZNQCLSA-N 1 0 290.363 2.988 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249246496 383334968 /nfs/dbraw/zinc/33/49/68/383334968.db2.gz BEPZSHVMAYXBRW-ZNMIVQPWSA-N 1 0 276.336 2.560 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449502554 383338991 /nfs/dbraw/zinc/33/89/91/383338991.db2.gz OSGQDAVYNGLFNG-SWLSCSKDSA-N 1 0 278.352 2.760 20 5 CFBDRO CC(C)OC1CC([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459343125 383286000 /nfs/dbraw/zinc/28/60/00/383286000.db2.gz LNQVSZRKHAQNMJ-UHFFFAOYSA-N 1 0 290.363 2.909 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449431095 383290656 /nfs/dbraw/zinc/29/06/56/383290656.db2.gz ZMZVNHTVLHMGPJ-LBPRGKRZSA-N 1 0 262.309 2.588 20 5 CFBDRO COC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255389691 383480659 /nfs/dbraw/zinc/48/06/59/383480659.db2.gz DUDZVICRIQAUST-PODYEWJSSA-N 1 0 290.363 2.966 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672875 383426216 /nfs/dbraw/zinc/42/62/16/383426216.db2.gz DMZVNJNBSNUVEQ-RYUDHWBXSA-N 1 0 261.325 2.634 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254970577 383473189 /nfs/dbraw/zinc/47/31/89/383473189.db2.gz DXZQQGMGIGUSPR-MFOKFAIFSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000450601612 383476194 /nfs/dbraw/zinc/47/61/94/383476194.db2.gz YRAMSTSMTYUENQ-AWEZNQCLSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cscn1 ZINC000569624316 383521332 /nfs/dbraw/zinc/52/13/32/383521332.db2.gz XDWAGMHBMURLLV-CYBMUJFWSA-N 1 0 289.360 2.871 20 5 CFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261616004 383529088 /nfs/dbraw/zinc/52/90/88/383529088.db2.gz FSNVDHKQRWRNAJ-CQSZACIVSA-N 1 0 291.351 2.831 20 5 CFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000570216037 383582734 /nfs/dbraw/zinc/58/27/34/383582734.db2.gz MACALLGPQBHSSL-QWRGUYRKSA-N 1 0 293.367 2.574 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000450948183 383562737 /nfs/dbraw/zinc/56/27/37/383562737.db2.gz DZDOCOAFTJXNSG-GFCCVEGCSA-N 1 0 263.341 2.514 20 5 CFBDRO COCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548448 383642653 /nfs/dbraw/zinc/64/26/53/383642653.db2.gz NHKKJBCNVFAKSC-AWEZNQCLSA-N 1 0 278.352 2.811 20 5 CFBDRO CC1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)COC1 ZINC000451548085 383642786 /nfs/dbraw/zinc/64/27/86/383642786.db2.gz MMWIZZLMCMUFHV-CQSZACIVSA-N 1 0 290.363 2.811 20 5 CFBDRO C[C@H]([NH2+]CCN1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280910610 195024508 /nfs/dbraw/zinc/02/45/08/195024508.db2.gz GLQWFPYGZISYGU-ZDUSSCGKSA-N 1 0 275.352 2.507 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000489458483 383620791 /nfs/dbraw/zinc/62/07/91/383620791.db2.gz ARXMDNJQFNHHHG-CYBMUJFWSA-N 1 0 264.325 2.704 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000571133073 383666470 /nfs/dbraw/zinc/66/64/70/383666470.db2.gz IBBFFAGDRIGKGX-ZKYQVNSYSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3C4CCC3CC4)nc2c1 ZINC000531438185 383868543 /nfs/dbraw/zinc/86/85/43/383868543.db2.gz XGNJKYIYYPJQMS-UHFFFAOYSA-N 1 0 273.292 2.863 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2=CCOCC2)cccc1[N+](=O)[O-] ZINC000453277830 383831358 /nfs/dbraw/zinc/83/13/58/383831358.db2.gz CCSCXZGJLAMFEB-LBPRGKRZSA-N 1 0 276.336 2.901 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000573171120 383882339 /nfs/dbraw/zinc/88/23/39/383882339.db2.gz KDCZGHPDWZHFJC-NJZAAPMLSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000532239409 384000019 /nfs/dbraw/zinc/00/00/19/384000019.db2.gz LJZJMSFHXUSAJS-JSGCOSHPSA-N 1 0 291.395 2.896 20 5 CFBDRO COCC1([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000573653938 383967913 /nfs/dbraw/zinc/96/79/13/383967913.db2.gz IJKJDHSEBWWHFL-CQSZACIVSA-N 1 0 276.336 2.741 20 5 CFBDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532423 384042451 /nfs/dbraw/zinc/04/24/51/384042451.db2.gz HIXLMQHYYJILIT-CHWSQXEVSA-N 1 0 277.368 2.587 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062983396 285077117 /nfs/dbraw/zinc/07/71/17/285077117.db2.gz PGHWUBMDQHGWDH-GFCCVEGCSA-N 1 0 293.342 2.799 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N(C)CC1([NH+](C)C)CCC1 ZINC000574927581 384167047 /nfs/dbraw/zinc/16/70/47/384167047.db2.gz OOCFJVRMAVENFJ-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1ccnc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000277709800 384382011 /nfs/dbraw/zinc/38/20/11/384382011.db2.gz IPKJTKOPJISTOU-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000348330127 220291109 /nfs/dbraw/zinc/29/11/09/220291109.db2.gz HIQXVBQEDRWVKE-ZYHUDNBSSA-N 1 0 265.357 2.504 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CC2)cc1 ZINC000130525289 285111895 /nfs/dbraw/zinc/11/18/95/285111895.db2.gz BJIUMSZBKRDHOM-HNNXBMFYSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000289411887 197333976 /nfs/dbraw/zinc/33/39/76/197333976.db2.gz HYDWFSZKLVJACP-MRXNPFEDSA-N 1 0 286.331 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000072089528 285128268 /nfs/dbraw/zinc/12/82/68/285128268.db2.gz PBXSRTLDUCIBCC-GFCCVEGCSA-N 1 0 295.770 2.923 20 5 CFBDRO Cc1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268498435 384627683 /nfs/dbraw/zinc/62/76/83/384627683.db2.gz PREWGZHUSJPOMZ-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000268877755 384681679 /nfs/dbraw/zinc/68/16/79/384681679.db2.gz ZEZWTBTUXBHPFW-GFCCVEGCSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000268881902 384684261 /nfs/dbraw/zinc/68/42/61/384684261.db2.gz KDWFCQVTPHVSIY-AGIUHOORSA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268895296 384688188 /nfs/dbraw/zinc/68/81/88/384688188.db2.gz ZSXQBQUXSFVKAH-IUODEOHRSA-N 1 0 292.379 2.931 20 5 CFBDRO CCC[N@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000269340395 384750063 /nfs/dbraw/zinc/75/00/63/384750063.db2.gz GBBLNDCORYYDNY-UHFFFAOYSA-N 1 0 282.340 2.844 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843027 384879460 /nfs/dbraw/zinc/87/94/60/384879460.db2.gz RUHIHWLOOCOUFB-PWSUYJOCSA-N 1 0 298.770 2.984 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCCC1)CCO2 ZINC000352677893 285141916 /nfs/dbraw/zinc/14/19/16/285141916.db2.gz LSJGBINAFAVNKC-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO C[C@H](CO)[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000280271576 384954618 /nfs/dbraw/zinc/95/46/18/384954618.db2.gz CTSVZMKQDDDJRG-SNVBAGLBSA-N 1 0 284.381 2.639 20 5 CFBDRO Cc1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269898985 384897850 /nfs/dbraw/zinc/89/78/50/384897850.db2.gz FGWNXSUCRLDVLV-ZIAGYGMSSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCOC1)CCC2 ZINC000278163425 285143909 /nfs/dbraw/zinc/14/39/09/285143909.db2.gz BTKSXUVRNYKOSO-NHYWBVRUSA-N 1 0 276.336 2.598 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000269933484 384908917 /nfs/dbraw/zinc/90/89/17/384908917.db2.gz DPTSMYCLUIVJKA-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000269968718 384925536 /nfs/dbraw/zinc/92/55/36/384925536.db2.gz WZFLAJOGDMMLNA-RBSFLKMASA-N 1 0 288.347 2.642 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280256315 384946003 /nfs/dbraw/zinc/94/60/03/384946003.db2.gz WXIGLUTWLIUJSW-CHWSQXEVSA-N 1 0 279.384 2.976 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCSC1 ZINC000280258295 384947706 /nfs/dbraw/zinc/94/77/06/384947706.db2.gz ZRTZFXKGJNYXJQ-OGOUPESXSA-N 1 0 278.377 2.951 20 5 CFBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000281168483 195133168 /nfs/dbraw/zinc/13/31/68/195133168.db2.gz BWXHAVNGJBFQOE-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO COc1cc(C[NH2+]CCC2(C)CC2)c([N+](=O)[O-])cc1OC ZINC000280523335 385046716 /nfs/dbraw/zinc/04/67/16/385046716.db2.gz HWAWLICEORRXGO-UHFFFAOYSA-N 1 0 294.351 2.892 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC12CCC[NH+]1CCC2 ZINC000280671509 385109023 /nfs/dbraw/zinc/10/90/23/385109023.db2.gz CNHWFNMJJLTNCG-UHFFFAOYSA-N 1 0 296.758 2.684 20 5 CFBDRO COc1cc(C[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000271059554 385324336 /nfs/dbraw/zinc/32/43/36/385324336.db2.gz VWBCUTAEUSRZJS-UHFFFAOYSA-N 1 0 282.340 2.700 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000282355679 385290446 /nfs/dbraw/zinc/29/04/46/385290446.db2.gz VWWRZZSFNAMQQT-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000282359312 385293104 /nfs/dbraw/zinc/29/31/04/385293104.db2.gz NCWRSKDKABAHEJ-SWLSCSKDSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC1(C)C ZINC000272007590 385423973 /nfs/dbraw/zinc/42/39/73/385423973.db2.gz FMJNLERLICTMQD-ZWNOBZJWSA-N 1 0 291.351 2.700 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283023638 385424287 /nfs/dbraw/zinc/42/42/87/385424287.db2.gz HBYZGEICLPMZRP-GFCCVEGCSA-N 1 0 282.315 2.592 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000283268275 385450952 /nfs/dbraw/zinc/45/09/52/385450952.db2.gz WMCITOCQFIPKOO-ZYHUDNBSSA-N 1 0 282.315 2.733 20 5 CFBDRO CC(C)OCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283062318 385431743 /nfs/dbraw/zinc/43/17/43/385431743.db2.gz JNTRJNPIPORRCY-UHFFFAOYSA-N 1 0 284.331 2.981 20 5 CFBDRO CC1CC[NH+](CCCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283417788 385463337 /nfs/dbraw/zinc/46/33/37/385463337.db2.gz BKGPXMVCZNDTRG-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000272257974 385490616 /nfs/dbraw/zinc/49/06/16/385490616.db2.gz AGGKLDJXTLTUQT-ZYHUDNBSSA-N 1 0 298.770 2.805 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284109322 385535773 /nfs/dbraw/zinc/53/57/73/385535773.db2.gz OSPBVWQTHPHMBE-PRHODGIISA-N 1 0 281.381 2.722 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000286696837 385688822 /nfs/dbraw/zinc/68/88/22/385688822.db2.gz BWPOXRMKAWMQDS-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286633597 385670898 /nfs/dbraw/zinc/67/08/98/385670898.db2.gz SQVMZDUXYWMQQW-ZLKJLUDKSA-N 1 0 264.325 2.501 20 5 CFBDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287173166 385795391 /nfs/dbraw/zinc/79/53/91/385795391.db2.gz UTNICRRVYIEQAE-NSHDSACASA-N 1 0 262.309 2.592 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154611 385947315 /nfs/dbraw/zinc/94/73/15/385947315.db2.gz QCLPBJJVVCMCPP-NHYWBVRUSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154609 385947535 /nfs/dbraw/zinc/94/75/35/385947535.db2.gz QCLPBJJVVCMCPP-ABAIWWIYSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(=O)[C@@H](C)C1 ZINC000275232516 385961814 /nfs/dbraw/zinc/96/18/14/385961814.db2.gz NEPXHMGQDKURSY-WDEREUQCSA-N 1 0 262.309 2.567 20 5 CFBDRO COc1cc(C[NH2+]CCC=C(C)C)c([N+](=O)[O-])cc1O ZINC000276641474 386000011 /nfs/dbraw/zinc/00/00/11/386000011.db2.gz QTDRPHACNIJMEN-UHFFFAOYSA-N 1 0 280.324 2.755 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000276651554 386003141 /nfs/dbraw/zinc/00/31/41/386003141.db2.gz UDZKIQVTGLQSAP-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)C(C)(C)C ZINC000276650960 386003215 /nfs/dbraw/zinc/00/32/15/386003215.db2.gz ZDJKQQZYJHPSQH-CYBMUJFWSA-N 1 0 284.331 2.573 20 5 CFBDRO CC[N@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276680117 386012958 /nfs/dbraw/zinc/01/29/58/386012958.db2.gz UWDLJPDUZZNBRP-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000288373571 197061747 /nfs/dbraw/zinc/06/17/47/197061747.db2.gz FHMJSQQDYOTUKY-GFCCVEGCSA-N 1 0 266.366 2.828 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCCO1 ZINC000281250830 195168114 /nfs/dbraw/zinc/16/81/14/195168114.db2.gz MNXHYEXJEIKUBJ-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081709355 177842198 /nfs/dbraw/zinc/84/21/98/177842198.db2.gz SDUGRDKBLPYWEW-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281581972 195296428 /nfs/dbraw/zinc/29/64/28/195296428.db2.gz DIJOSWPBYAQEOR-BXUZGUMPSA-N 1 0 264.325 2.594 20 5 CFBDRO C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000281798379 195385873 /nfs/dbraw/zinc/38/58/73/195385873.db2.gz FWZVZXKHKGGFNJ-UHFFFAOYSA-N 1 0 292.364 2.899 20 5 CFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000282337872 195579690 /nfs/dbraw/zinc/57/96/90/195579690.db2.gz VDEPNGCHTRARQR-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO COc1cccc(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413343221 533618447 /nfs/dbraw/zinc/61/84/47/533618447.db2.gz AJJMZZLWHYVUIJ-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000342039551 130252870 /nfs/dbraw/zinc/25/28/70/130252870.db2.gz WARLABQLPQAULF-GJZGRUSLSA-N 1 0 294.326 2.877 20 5 CFBDRO Cc1cc(N(C)CC[NH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000355577521 130315786 /nfs/dbraw/zinc/31/57/86/130315786.db2.gz PVZLNVSJDQCCQB-UHFFFAOYSA-N 1 0 294.399 2.853 20 5 CFBDRO Cc1cc(N2CCc3c[nH+]ccc32)ccc1[N+](=O)[O-] ZINC000181207882 393491379 /nfs/dbraw/zinc/49/13/79/393491379.db2.gz SSWHFNRILXFPNQ-UHFFFAOYSA-N 1 0 255.277 2.992 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000305864817 393503918 /nfs/dbraw/zinc/50/39/18/393503918.db2.gz MRUQABXWLAPLBU-RWMBFGLXSA-N 1 0 278.352 2.667 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC12CCOCC2 ZINC000375730673 393509807 /nfs/dbraw/zinc/50/98/07/393509807.db2.gz KGUIPSMUCBKLQV-UHFFFAOYSA-N 1 0 276.336 2.658 20 5 CFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000375742758 393510518 /nfs/dbraw/zinc/51/05/18/393510518.db2.gz MHZJIHGWPTVRJN-FFNLUWKOSA-N 1 0 294.376 2.512 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000184518555 393529051 /nfs/dbraw/zinc/52/90/51/393529051.db2.gz LIWSVLOPMAXGBI-CYBMUJFWSA-N 1 0 292.379 2.668 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668453 393534262 /nfs/dbraw/zinc/53/42/62/393534262.db2.gz GFNLSXNXVGLJKO-KBPBESRZSA-N 1 0 264.325 2.642 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000046054735 393576891 /nfs/dbraw/zinc/57/68/91/393576891.db2.gz POVAFWWUZLYCSK-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048739056 393597627 /nfs/dbraw/zinc/59/76/27/393597627.db2.gz TVAKBVZTLYPBPV-ZDUSSCGKSA-N 1 0 292.335 2.512 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000190162157 393578992 /nfs/dbraw/zinc/57/89/92/393578992.db2.gz SOBDIUPVOKSJDE-CJYSPXJISA-N 1 0 276.336 2.813 20 5 CFBDRO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000073616901 393651515 /nfs/dbraw/zinc/65/15/15/393651515.db2.gz ODFMKLIORIYRPC-UHFFFAOYSA-N 1 0 266.341 2.699 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959968 393785192 /nfs/dbraw/zinc/78/51/92/393785192.db2.gz JYKQSUUPYDPFJV-FRRDWIJNSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000091957384 393785547 /nfs/dbraw/zinc/78/55/47/393785547.db2.gz UVKVZUSXEAUBKQ-MELADBBJSA-N 1 0 289.379 2.872 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424205131 393796600 /nfs/dbraw/zinc/79/66/00/393796600.db2.gz WFBSVAZLDFFWFB-WDEREUQCSA-N 1 0 252.339 2.935 20 5 CFBDRO CCCC[C@@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343687166 393888942 /nfs/dbraw/zinc/88/89/42/393888942.db2.gz ZUEGRPNSEITICZ-NEPJUHHUSA-N 1 0 268.361 2.596 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000428561501 393898532 /nfs/dbraw/zinc/89/85/32/393898532.db2.gz SHVGEBBDQJQYNH-CQSZACIVSA-N 1 0 298.342 2.866 20 5 CFBDRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246260191 393857394 /nfs/dbraw/zinc/85/73/94/393857394.db2.gz QQFOFQPWNLPXBF-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000253178056 393940356 /nfs/dbraw/zinc/94/03/56/393940356.db2.gz BORMVMGMEXSSMR-SRVKXCTJSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)([NH2+]CCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429233920 393946432 /nfs/dbraw/zinc/94/64/32/393946432.db2.gz FJPXZJIGSXCLGH-UHFFFAOYSA-N 1 0 291.395 2.905 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352701978 394017965 /nfs/dbraw/zinc/01/79/65/394017965.db2.gz WYWLOWNEXKBAFK-HONMWMINSA-N 1 0 264.325 2.501 20 5 CFBDRO COCCCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418139406 394019408 /nfs/dbraw/zinc/01/94/08/394019408.db2.gz UOBYJCWSNSTKOV-VQHVLOKHSA-N 1 0 278.352 2.966 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417396683 393956261 /nfs/dbraw/zinc/95/62/61/393956261.db2.gz XGPKDKHJMCABJU-PWSUYJOCSA-N 1 0 299.321 2.585 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417400321 393957123 /nfs/dbraw/zinc/95/71/23/393957123.db2.gz JSUKKWYJOCNVJB-BNOWGMLFSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349193898 393964940 /nfs/dbraw/zinc/96/49/40/393964940.db2.gz WXDQIGVGCNMSSZ-UWVGGRQHSA-N 1 0 283.759 2.777 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000430194757 393966261 /nfs/dbraw/zinc/96/62/61/393966261.db2.gz KSSCGXLYPYLFMF-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000264063159 393966769 /nfs/dbraw/zinc/96/67/69/393966769.db2.gz JREWWKFHZLEDOB-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCO1 ZINC000430205766 393967839 /nfs/dbraw/zinc/96/78/39/393967839.db2.gz JRLKQUATBAHQIJ-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C ZINC000430236862 393971510 /nfs/dbraw/zinc/97/15/10/393971510.db2.gz HSYVHGVHJDIPAT-SNVBAGLBSA-N 1 0 250.298 2.588 20 5 CFBDRO COc1ccc(C[NH2+]C/C=C/c2ccncc2)cc1[N+](=O)[O-] ZINC000486970793 393976863 /nfs/dbraw/zinc/97/68/63/393976863.db2.gz SGHQTJHBNOJMMG-NSCUHMNNSA-N 1 0 299.330 2.801 20 5 CFBDRO CC(C)[C@](C)(C[NH3+])NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430542732 393991729 /nfs/dbraw/zinc/99/17/29/393991729.db2.gz DESCXTGDVBFZNY-ZDUSSCGKSA-N 1 0 285.775 2.711 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000269062744 394001505 /nfs/dbraw/zinc/00/15/05/394001505.db2.gz URJORZIXYCHYSQ-UHTWSYAYSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220537 394105461 /nfs/dbraw/zinc/10/54/61/394105461.db2.gz PYEAFUUMGYGPRW-JGGQBBKZSA-N 1 0 289.379 2.872 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000281829251 394079837 /nfs/dbraw/zinc/07/98/37/394079837.db2.gz KRWACULXCSXSLZ-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000439094998 394098167 /nfs/dbraw/zinc/09/81/67/394098167.db2.gz JWLUIBRRBRUZSU-AWEZNQCLSA-N 1 0 292.383 2.912 20 5 CFBDRO CC(=O)c1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420277771 394114004 /nfs/dbraw/zinc/11/40/04/394114004.db2.gz IVRHNVHXCSTGIM-NWDGAFQWSA-N 1 0 291.351 2.727 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286505448 394197858 /nfs/dbraw/zinc/19/78/58/394197858.db2.gz SKBJCONXEUABRE-CJNGLKHVSA-N 1 0 289.379 2.966 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000421373193 394207220 /nfs/dbraw/zinc/20/72/20/394207220.db2.gz DOPDVJNDGBLVMJ-MNOVXSKESA-N 1 0 270.354 2.704 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000287763549 394210003 /nfs/dbraw/zinc/21/00/03/394210003.db2.gz MJBXMOKJFXGFIJ-NSHDSACASA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291692257 394257282 /nfs/dbraw/zinc/25/72/82/394257282.db2.gz HNOWDZLDWDXJPC-OLZOCXBDSA-N 1 0 286.335 2.799 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1ccoc1 ZINC000449130515 394223002 /nfs/dbraw/zinc/22/30/02/394223002.db2.gz GWFQFYFWVMZVIV-LLVKDONJSA-N 1 0 290.319 2.917 20 5 CFBDRO C[C@H](O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000136839230 394235989 /nfs/dbraw/zinc/23/59/89/394235989.db2.gz BVIQPIQDFFKLTR-BPFGOOJPSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000449172716 394241022 /nfs/dbraw/zinc/24/10/22/394241022.db2.gz WIWHDPQLIHDTNO-YRGRVCCFSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286080454 394189404 /nfs/dbraw/zinc/18/94/04/394189404.db2.gz JSHZYUXEMKHKBI-GFCCVEGCSA-N 1 0 292.383 2.853 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000286316191 394196194 /nfs/dbraw/zinc/19/61/94/394196194.db2.gz UJMPNCBNNMFHSL-AAEUAGOBSA-N 1 0 293.342 2.654 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000363491652 394196750 /nfs/dbraw/zinc/19/67/50/394196750.db2.gz WDAAAACQXFFHSV-CYBMUJFWSA-N 1 0 276.336 2.835 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC[C@@H]1C ZINC000367700216 394260438 /nfs/dbraw/zinc/26/04/38/394260438.db2.gz BQGDVGICFDDHKS-LBPRGKRZSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)([NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423288422 394275711 /nfs/dbraw/zinc/27/57/11/394275711.db2.gz SAPMTYHLGWKSIF-CYBMUJFWSA-N 1 0 277.368 2.644 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153682964 394288830 /nfs/dbraw/zinc/28/88/30/394288830.db2.gz AVVHVCBOQBJANZ-VIFPVBQESA-N 1 0 286.763 2.785 20 5 CFBDRO Cc1c([C@H](C)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000423529360 394291543 /nfs/dbraw/zinc/29/15/43/394291543.db2.gz PVBNMXGMLZMMOT-LBPRGKRZSA-N 1 0 277.368 2.696 20 5 CFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000295055835 394296628 /nfs/dbraw/zinc/29/66/28/394296628.db2.gz YPBSPRKROGEYPM-LLVKDONJSA-N 1 0 293.342 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCCC[NH2+]C1CC1)CCC2 ZINC000423567194 394298264 /nfs/dbraw/zinc/29/82/64/394298264.db2.gz VAKGTIRVBCMQDX-MRXNPFEDSA-N 1 0 289.379 2.704 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159149929 394363931 /nfs/dbraw/zinc/36/39/31/394363931.db2.gz UDVCDNDQGLCEJK-VXGBXAGGSA-N 1 0 266.341 2.715 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCSC1 ZINC000520333673 394380104 /nfs/dbraw/zinc/38/01/04/394380104.db2.gz RRBNDYMSAQWUOR-NSHDSACASA-N 1 0 296.392 2.836 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC000178317716 394387140 /nfs/dbraw/zinc/38/71/40/394387140.db2.gz RQPHJHRCQUGJDS-BARDWOONSA-N 1 0 276.336 2.955 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000453344571 394387954 /nfs/dbraw/zinc/38/79/54/394387954.db2.gz DRDJASODUUAXSO-FZMZJTMJSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000453344557 394388127 /nfs/dbraw/zinc/38/81/27/394388127.db2.gz DRDJASODUUAXSO-BXUZGUMPSA-N 1 0 278.352 2.979 20 5 CFBDRO CSCC[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537962489 394596157 /nfs/dbraw/zinc/59/61/57/394596157.db2.gz BFEYGEDQELCJAH-NEPJUHHUSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000545996390 394813843 /nfs/dbraw/zinc/81/38/43/394813843.db2.gz LXCWHOICCNVCRW-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558461913 395060646 /nfs/dbraw/zinc/06/06/46/395060646.db2.gz TYQHHOCXABBZLQ-ZWNOBZJWSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558461910 395061067 /nfs/dbraw/zinc/06/10/67/395061067.db2.gz TYQHHOCXABBZLQ-GXFFZTMASA-N 1 0 291.351 2.700 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCCC2)n1 ZINC000331694664 296518353 /nfs/dbraw/zinc/51/83/53/296518353.db2.gz ZOPPIYUWWSAHDV-QWHCGFSZSA-N 1 0 278.356 2.807 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000487109404 292286909 /nfs/dbraw/zinc/28/69/09/292286909.db2.gz LZQOQDBHALVKKV-OAHLLOKOSA-N 1 0 277.368 2.680 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000343069153 154102848 /nfs/dbraw/zinc/10/28/48/154102848.db2.gz PEUNDGLEQGGEQJ-UHFFFAOYSA-N 1 0 281.331 2.656 20 5 CFBDRO CCCN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000343357352 154183243 /nfs/dbraw/zinc/18/32/43/154183243.db2.gz ZHKFIQTUGYUPOW-UHFFFAOYSA-N 1 0 298.412 2.754 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSCC[C@H]1C ZINC000348159591 154344598 /nfs/dbraw/zinc/34/45/98/154344598.db2.gz KGQMREOOWQQQOP-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSCC[C@@H]1C ZINC000348159593 154344822 /nfs/dbraw/zinc/34/48/22/154344822.db2.gz KGQMREOOWQQQOP-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000354714716 154794990 /nfs/dbraw/zinc/79/49/90/154794990.db2.gz WGEJPTUVQYUJOQ-UDGJJRABSA-N 1 0 276.336 2.765 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355746913 155074205 /nfs/dbraw/zinc/07/42/05/155074205.db2.gz WPYDAGABMPPYLO-WCQYABFASA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355782045 155085693 /nfs/dbraw/zinc/08/56/93/155085693.db2.gz QGZSVXBEGHTYFB-GXTWGEPZSA-N 1 0 278.352 2.808 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000362961894 156129467 /nfs/dbraw/zinc/12/94/67/156129467.db2.gz ZJYLUIFMZINRRF-KBPBESRZSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000362977667 156134101 /nfs/dbraw/zinc/13/41/01/156134101.db2.gz SSDLMBLIBQWKCH-IINYFYTJSA-N 1 0 284.331 2.885 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000363474123 156177249 /nfs/dbraw/zinc/17/72/49/156177249.db2.gz GTKIBTLNJHPFDY-CYBMUJFWSA-N 1 0 276.336 2.848 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000363474124 156177709 /nfs/dbraw/zinc/17/77/09/156177709.db2.gz GTKIBTLNJHPFDY-ZDUSSCGKSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372409395 156885361 /nfs/dbraw/zinc/88/53/61/156885361.db2.gz RXVYYGHMSLKNHF-LBPRGKRZSA-N 1 0 291.351 2.622 20 5 CFBDRO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372409393 156885612 /nfs/dbraw/zinc/88/56/12/156885612.db2.gz RXVYYGHMSLKNHF-GFCCVEGCSA-N 1 0 291.351 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374400079 157109353 /nfs/dbraw/zinc/10/93/53/157109353.db2.gz OPKHIXLLMFLMIG-NEPJUHHUSA-N 1 0 294.326 2.592 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000374414148 157110843 /nfs/dbraw/zinc/11/08/43/157110843.db2.gz GJULDZZKBVVVNQ-NSHDSACASA-N 1 0 296.396 2.506 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000375302589 157221066 /nfs/dbraw/zinc/22/10/66/157221066.db2.gz LYNMXBDNVIAOCI-HNNXBMFYSA-N 1 0 276.336 2.658 20 5 CFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000375742762 157277900 /nfs/dbraw/zinc/27/79/00/157277900.db2.gz MHZJIHGWPTVRJN-FUVSOYRFSA-N 1 0 294.376 2.512 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000376405326 157350495 /nfs/dbraw/zinc/35/04/95/157350495.db2.gz DPXKFMCDUJWBHK-HNNXBMFYSA-N 1 0 298.346 2.776 20 5 CFBDRO C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCN1C ZINC000344335123 162015918 /nfs/dbraw/zinc/01/59/18/162015918.db2.gz RDWVZVPMJXTFMD-JGOVJGDKSA-N 1 0 289.379 2.680 20 5 CFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344410508 162037482 /nfs/dbraw/zinc/03/74/82/162037482.db2.gz AYMXQMFNCKCYJO-LBPRGKRZSA-N 1 0 292.383 2.912 20 5 CFBDRO COc1cc(C[NH2+]C[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000344412413 162038078 /nfs/dbraw/zinc/03/80/78/162038078.db2.gz SFPUENOGMAOUBS-LLVKDONJSA-N 1 0 294.351 2.748 20 5 CFBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344583581 162071743 /nfs/dbraw/zinc/07/17/43/162071743.db2.gz UWGWMWKFTYQGIA-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CCO)CCCCC2)cs1 ZINC000344600999 162074980 /nfs/dbraw/zinc/07/49/80/162074980.db2.gz JGTXEMYMGDSQSE-UHFFFAOYSA-N 1 0 284.381 2.831 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000344750941 162115544 /nfs/dbraw/zinc/11/55/44/162115544.db2.gz OVKRLWWVVZNQHC-BBRMVZONSA-N 1 0 292.379 2.932 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(C)n1 ZINC000344792789 162123561 /nfs/dbraw/zinc/12/35/61/162123561.db2.gz LPGJCRKTUQWADK-XYOKQWHBSA-N 1 0 286.335 2.521 20 5 CFBDRO CC[C@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344797445 162123614 /nfs/dbraw/zinc/12/36/14/162123614.db2.gz WPZPBGHKPOCDHY-FWLQQBITSA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H](C)CO ZINC000344830327 162131021 /nfs/dbraw/zinc/13/10/21/162131021.db2.gz LSJXOIBVPKWWIA-GFAPJHNFSA-N 1 0 292.379 2.996 20 5 CFBDRO CCN(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344918477 162147484 /nfs/dbraw/zinc/14/74/84/162147484.db2.gz XVEAUAPUMWZOMK-JLHYYAGUSA-N 1 0 277.368 2.539 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2SC)cc1[N+](=O)[O-] ZINC000344957816 162153093 /nfs/dbraw/zinc/15/30/93/162153093.db2.gz PVEHQQWXSUAUNV-MFKMUULPSA-N 1 0 282.365 2.587 20 5 CFBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344954109 162153192 /nfs/dbraw/zinc/15/31/92/162153192.db2.gz JEPPRQLTBNYWAO-NWDGAFQWSA-N 1 0 252.339 2.578 20 5 CFBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344954107 162153871 /nfs/dbraw/zinc/15/38/71/162153871.db2.gz JEPPRQLTBNYWAO-NEPJUHHUSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000345174291 162194374 /nfs/dbraw/zinc/19/43/74/162194374.db2.gz ONXFAIBWRFCNPR-NWDGAFQWSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346169354 162337055 /nfs/dbraw/zinc/33/70/55/162337055.db2.gz QFKKQBUUFLYBLM-OLZOCXBDSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346175794 162340130 /nfs/dbraw/zinc/34/01/30/162340130.db2.gz HYFSEGKQAFDKGM-STQMWFEESA-N 1 0 277.368 2.509 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346175792 162341897 /nfs/dbraw/zinc/34/18/97/162341897.db2.gz HYFSEGKQAFDKGM-QWHCGFSZSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000349777695 163014255 /nfs/dbraw/zinc/01/42/55/163014255.db2.gz PSEXHCXZLFYOKD-CQSZACIVSA-N 1 0 288.351 2.612 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccco1 ZINC000350010921 163049938 /nfs/dbraw/zinc/04/99/38/163049938.db2.gz LPWNKDQOUZETDM-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccco2)n1 ZINC000351519758 163139371 /nfs/dbraw/zinc/13/93/71/163139371.db2.gz VJNKBQJOISKMOV-QWHCGFSZSA-N 1 0 290.323 2.658 20 5 CFBDRO C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603407 163155535 /nfs/dbraw/zinc/15/55/35/163155535.db2.gz LEPBWBFKIYTFOM-VLWUPBBWSA-N 1 0 273.292 2.947 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000352693819 163223288 /nfs/dbraw/zinc/22/32/88/163223288.db2.gz UEYCLPGVVNKHGB-UHFFFAOYSA-N 1 0 298.358 2.964 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000353037706 163292791 /nfs/dbraw/zinc/29/27/91/163292791.db2.gz KUBSNUUKYTWCKA-JSGCOSHPSA-N 1 0 278.352 2.665 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]1C ZINC000353116537 163308442 /nfs/dbraw/zinc/30/84/42/163308442.db2.gz GWEDLUQXNYRIIW-ZWNOBZJWSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292116397 287152650 /nfs/dbraw/zinc/15/26/50/287152650.db2.gz JQNRKQKADOMMCQ-XJKSGUPXSA-N 1 0 289.379 2.683 20 5 CFBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000284204403 196002638 /nfs/dbraw/zinc/00/26/38/196002638.db2.gz ZDTAKOMBIOFOJD-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284315114 196028684 /nfs/dbraw/zinc/02/86/84/196028684.db2.gz ASEVYDITPGAFOA-CABCVRRESA-N 1 0 276.336 2.738 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000284378976 196043482 /nfs/dbraw/zinc/04/34/82/196043482.db2.gz OPKYPPRQLDEJIJ-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOCC2CC2)c1 ZINC000020191126 171057495 /nfs/dbraw/zinc/05/74/95/171057495.db2.gz ISDZGNSGALUGMY-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526106 171239102 /nfs/dbraw/zinc/23/91/02/171239102.db2.gz QENFDBUGYAEJND-NSHDSACASA-N 1 0 252.314 2.672 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000021029045 171291658 /nfs/dbraw/zinc/29/16/58/171291658.db2.gz NYBUCHMXCHMAGQ-GFCCVEGCSA-N 1 0 280.372 2.912 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284879794 196150529 /nfs/dbraw/zinc/15/05/29/196150529.db2.gz BJDYSYBSKODTQW-DGCLKSJQSA-N 1 0 293.367 2.787 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000035368239 172159942 /nfs/dbraw/zinc/15/99/42/172159942.db2.gz WZLWOLBETXKNLQ-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285279461 196239356 /nfs/dbraw/zinc/23/93/56/196239356.db2.gz RFFIAQQKVCYIEC-NSHDSACASA-N 1 0 293.367 2.644 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000035693259 172362070 /nfs/dbraw/zinc/36/20/70/172362070.db2.gz WIFJFSNSMQROQR-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000035693395 172362416 /nfs/dbraw/zinc/36/24/16/172362416.db2.gz KXNCWWAAMVTIRY-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO CN(CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCC[N@@H+]1C ZINC000285399546 196272655 /nfs/dbraw/zinc/27/26/55/196272655.db2.gz TVXXNGXQCBHFQF-OAHLLOKOSA-N 1 0 291.395 2.553 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738280 173658800 /nfs/dbraw/zinc/65/88/00/173658800.db2.gz YHHVJQBSUKTKJH-FZMZJTMJSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985887 173947032 /nfs/dbraw/zinc/94/70/32/173947032.db2.gz UYTDJDUJHRCGOK-MRVPVSSYSA-N 1 0 257.721 2.610 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000038079452 174089017 /nfs/dbraw/zinc/08/90/17/174089017.db2.gz HVRKWILDSULYID-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO CCC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079334 174089183 /nfs/dbraw/zinc/08/91/83/174089183.db2.gz PEUWXQORVYDVRO-LLVKDONJSA-N 1 0 252.314 2.752 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000038079449 174089306 /nfs/dbraw/zinc/08/93/06/174089306.db2.gz GVEQOEWLCGYZSL-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000040623991 174356448 /nfs/dbraw/zinc/35/64/48/174356448.db2.gz XBJSLAJTXXAYRM-LBPRGKRZSA-N 1 0 263.341 2.737 20 5 CFBDRO C[C@H]1CCC[C@@](CNc2ncccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670039 174368465 /nfs/dbraw/zinc/36/84/65/174368465.db2.gz TZUXGJAURKKOBV-SWLSCSKDSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1cc(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000042246369 174664991 /nfs/dbraw/zinc/66/49/91/174664991.db2.gz LVKLHOVVICRXLF-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000044417341 175173316 /nfs/dbraw/zinc/17/33/16/175173316.db2.gz ISQFFSSQPUYGEM-LBPRGKRZSA-N 1 0 261.325 2.552 20 5 CFBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000044993022 175286481 /nfs/dbraw/zinc/28/64/81/175286481.db2.gz VMUOEMPUIWLEIE-AWEZNQCLSA-N 1 0 291.395 2.601 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045036473 175294218 /nfs/dbraw/zinc/29/42/18/175294218.db2.gz OOSPSSJDHMNUNV-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[NH+]1CCCC1 ZINC000048322151 175426682 /nfs/dbraw/zinc/42/66/82/175426682.db2.gz JTQFWSFNPUPNOU-UHFFFAOYSA-N 1 0 269.732 2.756 20 5 CFBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000049558740 175488217 /nfs/dbraw/zinc/48/82/17/175488217.db2.gz QKGCWCBDIFUIEF-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000071207311 176080980 /nfs/dbraw/zinc/08/09/80/176080980.db2.gz CQFNDGRRDSGXCN-GXFFZTMASA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000313061713 260242690 /nfs/dbraw/zinc/24/26/90/260242690.db2.gz OEMVSKBBJGLOKB-ZWNOBZJWSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313069455 260243993 /nfs/dbraw/zinc/24/39/93/260243993.db2.gz SFIZAEPCUBQXER-BXUZGUMPSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1=CCCOC1 ZINC000521067662 260365495 /nfs/dbraw/zinc/36/54/95/260365495.db2.gz AFJHBPOTPYACPD-AWEZNQCLSA-N 1 0 274.320 2.518 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000525784652 262234228 /nfs/dbraw/zinc/23/42/28/262234228.db2.gz VFRGFRUNAJNAPE-GFCCVEGCSA-N 1 0 296.367 2.960 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000193252613 270236954 /nfs/dbraw/zinc/23/69/54/270236954.db2.gz XEOFYZKGAMYICX-UHFFFAOYSA-N 1 0 266.341 2.580 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000395131664 270310681 /nfs/dbraw/zinc/31/06/81/270310681.db2.gz QMFYHKSQRUVUFZ-CKYFFXLPSA-N 1 0 264.325 2.738 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000395131666 270310773 /nfs/dbraw/zinc/31/07/73/270310773.db2.gz QMFYHKSQRUVUFZ-HOSYDEDBSA-N 1 0 264.325 2.738 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC[C@H]2F)n1 ZINC000516776961 270388271 /nfs/dbraw/zinc/38/82/71/270388271.db2.gz GQZXLDARYFLRLY-YVECIDJPSA-N 1 0 296.346 2.755 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000516862905 270389382 /nfs/dbraw/zinc/38/93/82/270389382.db2.gz OJDCHQMCZIMQFD-AWEZNQCLSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000517500843 270406596 /nfs/dbraw/zinc/40/65/96/270406596.db2.gz BAZBRJNLERLBIP-IMRBUKKESA-N 1 0 278.352 2.683 20 5 CFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000827720308 782041937 /nfs/dbraw/zinc/04/19/37/782041937.db2.gz CAGPNZQLSVCNQP-OCCSQVGLSA-N 1 0 289.335 2.550 20 5 CFBDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130162998 273507992 /nfs/dbraw/zinc/50/79/92/273507992.db2.gz DSMUKQFGRDODBH-GXTWGEPZSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000450857811 273716481 /nfs/dbraw/zinc/71/64/81/273716481.db2.gz KKRPOLUJBPDPCJ-CYBMUJFWSA-N 1 0 292.383 2.527 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000282431434 274080436 /nfs/dbraw/zinc/08/04/36/274080436.db2.gz RJIUGQDTUSVCOT-RISCZKNCSA-N 1 0 278.352 2.903 20 5 CFBDRO C[C@@H](CN(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287151675 274212555 /nfs/dbraw/zinc/21/25/55/274212555.db2.gz STVDBQWMEKDACU-NHYWBVRUSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000038089070 274226530 /nfs/dbraw/zinc/22/65/30/274226530.db2.gz YTDSMFTXSINLRN-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO C[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000251566630 274555145 /nfs/dbraw/zinc/55/51/45/274555145.db2.gz ANCPMHOHEWZXAV-HZMBPMFUSA-N 1 0 297.786 2.807 20 5 CFBDRO Cc1cc(N2CCC[C@H]2C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000292801726 274705996 /nfs/dbraw/zinc/70/59/96/274705996.db2.gz YPKDNVIODHKPIA-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000227888390 275033765 /nfs/dbraw/zinc/03/37/65/275033765.db2.gz XAZZAVIHOIAKSK-VHSXEESVSA-N 1 0 297.305 2.912 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000158721146 275035310 /nfs/dbraw/zinc/03/53/10/275035310.db2.gz KVYNTQPJMTZVMY-XHSDSOJGSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000301080443 275035994 /nfs/dbraw/zinc/03/59/94/275035994.db2.gz HLEKSHBBTFXXOT-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCOC1)CCC2 ZINC000192708360 275038233 /nfs/dbraw/zinc/03/82/33/275038233.db2.gz PZNCGRBJLBQHDO-BLLLJJGKSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCO1)CCC2 ZINC000192595974 275038318 /nfs/dbraw/zinc/03/83/18/275038318.db2.gz RPXIRHJMBPVNRH-DZGCQCFKSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300405520 275041428 /nfs/dbraw/zinc/04/14/28/275041428.db2.gz VNGDLACPVWKWOZ-UWVGGRQHSA-N 1 0 296.758 2.682 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453354057 275854385 /nfs/dbraw/zinc/85/43/85/275854385.db2.gz IFAWNMNXIBUTKP-GJZGRUSLSA-N 1 0 290.363 2.987 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCF)c2cc([N+](=O)[O-])ccc21 ZINC000281098527 275867708 /nfs/dbraw/zinc/86/77/08/275867708.db2.gz QMQAOXMHYQUBFV-LBPRGKRZSA-N 1 0 252.289 2.876 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285666552 276037213 /nfs/dbraw/zinc/03/72/13/276037213.db2.gz TYFDPMLGSXDFQE-CQSZACIVSA-N 1 0 264.325 2.644 20 5 CFBDRO CC[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000505325162 276385080 /nfs/dbraw/zinc/38/50/80/276385080.db2.gz GOWYPBSHWVVFPO-UHFFFAOYSA-N 1 0 291.395 2.856 20 5 CFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000362975572 276420565 /nfs/dbraw/zinc/42/05/65/276420565.db2.gz GCFDCEHTHHQKRR-RISCZKNCSA-N 1 0 266.341 2.746 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000133611525 277070179 /nfs/dbraw/zinc/07/01/79/277070179.db2.gz JCEOAYDMKZSYKS-OLZOCXBDSA-N 1 0 275.352 2.515 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000368389740 277146502 /nfs/dbraw/zinc/14/65/02/277146502.db2.gz YLRBLHJQTJAJAK-MFKMUULPSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000375235845 277146511 /nfs/dbraw/zinc/14/65/11/277146511.db2.gz WYSZUHNUPXRYSY-YGRLFVJLSA-N 1 0 295.770 2.779 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191701936 277277486 /nfs/dbraw/zinc/27/74/86/277277486.db2.gz YDTMLKWXRKLSNV-DCAQKATOSA-N 1 0 252.314 2.669 20 5 CFBDRO COCC[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358203292 277551008 /nfs/dbraw/zinc/55/10/08/277551008.db2.gz NIZBIHFPWOTFDY-ZDUSSCGKSA-N 1 0 280.368 2.932 20 5 CFBDRO C[C@@H](CF)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290202713 277566373 /nfs/dbraw/zinc/56/63/73/277566373.db2.gz PTQAILHRHGKXJF-QWRGUYRKSA-N 1 0 254.305 2.864 20 5 CFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072926296 277702280 /nfs/dbraw/zinc/70/22/80/277702280.db2.gz RNISOGSICLXKIC-HIFRSBDPSA-N 1 0 278.352 2.888 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290043353 277712775 /nfs/dbraw/zinc/71/27/75/277712775.db2.gz DQOKJJNODGZWPV-JHJVBQTASA-N 1 0 280.368 2.929 20 5 CFBDRO COc1cccc(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277146649 278015706 /nfs/dbraw/zinc/01/57/06/278015706.db2.gz KLFFOWQOLQENJE-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000361033557 278037497 /nfs/dbraw/zinc/03/74/97/278037497.db2.gz TUNBKMFMBWNTLL-NWDGAFQWSA-N 1 0 280.368 2.967 20 5 CFBDRO C[C@@H](CN(C)C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000348294786 278240036 /nfs/dbraw/zinc/24/00/36/278240036.db2.gz RFVOUABSNTYUFK-XHDPSFHLSA-N 1 0 291.395 2.857 20 5 CFBDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000280989502 278256324 /nfs/dbraw/zinc/25/63/24/278256324.db2.gz JPVVPDWMJMOGNQ-YBTHPKLGSA-N 1 0 296.392 2.547 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000253196035 278268453 /nfs/dbraw/zinc/26/84/53/278268453.db2.gz SHOFKQDONCLQKJ-GVXVVHGQSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000160069513 278340611 /nfs/dbraw/zinc/34/06/11/278340611.db2.gz QREKXAZVYDSBPL-GFCCVEGCSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000094796978 278352460 /nfs/dbraw/zinc/35/24/60/278352460.db2.gz DPKFXPYVPZVIDG-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000222148844 278386269 /nfs/dbraw/zinc/38/62/69/278386269.db2.gz QIXJXZGOXGXXAM-KOLCDFICSA-N 1 0 252.339 2.751 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277239125 278746331 /nfs/dbraw/zinc/74/63/31/278746331.db2.gz UMTNNGPTTPEXGG-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000343631121 278864824 /nfs/dbraw/zinc/86/48/24/278864824.db2.gz NBCZAHVFLNOIEN-KGLIPLIRSA-N 1 0 289.379 2.966 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000300422560 279054440 /nfs/dbraw/zinc/05/44/40/279054440.db2.gz IFTUKTWGTWFTDW-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000112659876 279235786 /nfs/dbraw/zinc/23/57/86/279235786.db2.gz OTGIPYHQQNYOLM-NSHDSACASA-N 1 0 293.367 2.560 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)O ZINC000449448174 279382155 /nfs/dbraw/zinc/38/21/55/279382155.db2.gz FOPLBRQTZPCQML-NEPJUHHUSA-N 1 0 280.368 2.665 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1CO ZINC000449157752 279382356 /nfs/dbraw/zinc/38/23/56/279382356.db2.gz QYOJNUVTGKVSAD-VHDGCEQUSA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000061002771 280459438 /nfs/dbraw/zinc/45/94/38/280459438.db2.gz UQBVWZMJHGYSLN-CYBMUJFWSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000071207208 280486526 /nfs/dbraw/zinc/48/65/26/280486526.db2.gz JOIDKPMXAIGPIW-RISCZKNCSA-N 1 0 264.325 2.752 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCSCCCO ZINC000151210715 280801260 /nfs/dbraw/zinc/80/12/60/280801260.db2.gz KLMAJHBQDAACFJ-LBPRGKRZSA-N 1 0 298.408 2.669 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000189716678 280879178 /nfs/dbraw/zinc/87/91/78/280879178.db2.gz VMWBLTGJKMAHPC-AWEZNQCLSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000087016185 280939837 /nfs/dbraw/zinc/93/98/37/280939837.db2.gz GIPFADUDTDMGIE-GFCCVEGCSA-N 1 0 278.352 2.859 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000268063007 281014205 /nfs/dbraw/zinc/01/42/05/281014205.db2.gz ZFRISAKJVSKSBA-OLZOCXBDSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186831203 281021914 /nfs/dbraw/zinc/02/19/14/281021914.db2.gz ULTLJJGHHXSGKU-XUJVJEKNSA-N 1 0 278.352 2.667 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420306337 281022691 /nfs/dbraw/zinc/02/26/91/281022691.db2.gz ASULOTKDBJDGGG-HEHGZKQESA-N 1 0 289.379 2.648 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249588016 281063368 /nfs/dbraw/zinc/06/33/68/281063368.db2.gz ULTLJJGHHXSGKU-SLEUVZQESA-N 1 0 278.352 2.667 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000252732611 281077143 /nfs/dbraw/zinc/07/71/43/281077143.db2.gz VZIJFXMGJKCLNR-QEJZJMRPSA-N 1 0 278.352 2.939 20 5 CFBDRO CC[C@H]([NH2+]CC1=CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000397814135 281202822 /nfs/dbraw/zinc/20/28/22/281202822.db2.gz DWOGHCFHDUZSGV-HNNXBMFYSA-N 1 0 276.336 2.982 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000398139492 281204805 /nfs/dbraw/zinc/20/48/05/281204805.db2.gz YWVHXJWOLUDIAA-GYSYKLTISA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286332455 281230586 /nfs/dbraw/zinc/23/05/86/281230586.db2.gz LPBUUMHEXQLBFO-KGLIPLIRSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH+]2CCCC2)CC1 ZINC000301558210 281259123 /nfs/dbraw/zinc/25/91/23/281259123.db2.gz XEIQBIJJWAYFGN-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC(C)(CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515073860 281290746 /nfs/dbraw/zinc/29/07/46/281290746.db2.gz UXVFHRFWCOYHOR-CYBMUJFWSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000531697437 281438184 /nfs/dbraw/zinc/43/81/84/281438184.db2.gz RARKXIQDPNCRMJ-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)C1CC1 ZINC000554993365 281907477 /nfs/dbraw/zinc/90/74/77/281907477.db2.gz ZGQYKCDKONJHMH-YPMHNXCESA-N 1 0 278.352 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC3(F)CC3)c2c1 ZINC000561752386 282060199 /nfs/dbraw/zinc/06/01/99/282060199.db2.gz HAFFUPMLSSSCKZ-UHFFFAOYSA-N 1 0 277.299 2.710 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152923455 289857460 /nfs/dbraw/zinc/85/74/60/289857460.db2.gz OEXAEKFQDHIMPD-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154535956 289897384 /nfs/dbraw/zinc/89/73/84/289897384.db2.gz FESCYECDPFEXFJ-RISCZKNCSA-N 1 0 266.341 2.715 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000268298471 290001225 /nfs/dbraw/zinc/00/12/25/290001225.db2.gz XDGWGETXWXXSSY-RNXJVGDGSA-N 1 0 290.363 2.749 20 5 CFBDRO COC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000563418784 290147147 /nfs/dbraw/zinc/14/71/47/290147147.db2.gz PRWUOZOQDXAEJF-UONOGXRCSA-N 1 0 278.352 2.843 20 5 CFBDRO COC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000563418782 290147181 /nfs/dbraw/zinc/14/71/81/290147181.db2.gz PRWUOZOQDXAEJF-KBPBESRZSA-N 1 0 278.352 2.843 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)CC ZINC000564099508 290193104 /nfs/dbraw/zinc/19/31/04/290193104.db2.gz KIGYVAHVUOJWTO-NFAWXSAZSA-N 1 0 278.352 2.721 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCCO1 ZINC000564586152 290217551 /nfs/dbraw/zinc/21/75/51/290217551.db2.gz VQOVLNVAPWRNRX-RISCZKNCSA-N 1 0 276.336 2.741 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489269754 290267919 /nfs/dbraw/zinc/26/79/19/290267919.db2.gz VENZLXKFEDDQAH-ABAIWWIYSA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332209193 290268107 /nfs/dbraw/zinc/26/81/07/290268107.db2.gz JHXVCGBXVUSOKA-XJFOESAGSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000565726651 290320599 /nfs/dbraw/zinc/32/05/99/290320599.db2.gz VYGXOQLOMMQJRM-JMSVASOKSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@H](C)C1 ZINC000566220582 290360041 /nfs/dbraw/zinc/36/00/41/290360041.db2.gz KHIDOAYPTOWVBR-BZPMIXESSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(OC[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000566614931 290405094 /nfs/dbraw/zinc/40/50/94/290405094.db2.gz ANXBGAPCCMKCIB-JOCQHMNTSA-N 1 0 293.367 2.751 20 5 CFBDRO CC[NH2+]CCCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000567259685 290451151 /nfs/dbraw/zinc/45/11/51/290451151.db2.gz QXUHWSUJHYMHBH-LBPRGKRZSA-N 1 0 295.383 2.644 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000286299796 297263729 /nfs/dbraw/zinc/26/37/29/297263729.db2.gz JKMQDUYLPFJLNW-VXGBXAGGSA-N 1 0 293.342 2.797 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000424354842 304811639 /nfs/dbraw/zinc/81/16/39/304811639.db2.gz QMOJWJCKAORGHH-ZUWCUPBKSA-N 1 0 290.367 2.663 20 5 CFBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160269428 322335619 /nfs/dbraw/zinc/33/56/19/322335619.db2.gz CTSBVJMXXWWRMW-VXGBXAGGSA-N 1 0 298.408 2.668 20 5 CFBDRO CC(C)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163286873 322374839 /nfs/dbraw/zinc/37/48/39/322374839.db2.gz OKCCYLOSLPFFSQ-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC[NH+]1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000570060478 322512224 /nfs/dbraw/zinc/51/22/24/322512224.db2.gz VOZLYFOASOUUDS-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCSCC2CC[NH2+]CC2)cc1 ZINC000572718657 322629373 /nfs/dbraw/zinc/62/93/73/322629373.db2.gz PJHCLHQFHDLDSZ-UHFFFAOYSA-N 1 0 296.392 2.706 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCOCC1CCC1 ZINC000574795301 322706025 /nfs/dbraw/zinc/70/60/25/322706025.db2.gz IZOAWNPQANLUFM-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO COC[C@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189667517 324031555 /nfs/dbraw/zinc/03/15/55/324031555.db2.gz UZYMMTBRESSLEM-GFCCVEGCSA-N 1 0 278.352 2.842 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000386353962 324477181 /nfs/dbraw/zinc/47/71/81/324477181.db2.gz NGGWBCFLENGVGW-MRXNPFEDSA-N 1 0 292.379 2.668 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000577388207 324731835 /nfs/dbraw/zinc/73/18/35/324731835.db2.gz DJWRANOIAGSTBK-CQSZACIVSA-N 1 0 299.330 2.776 20 5 CFBDRO CC(C)(CF)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529557 324749635 /nfs/dbraw/zinc/74/96/35/324749635.db2.gz VFIOUZOWNSSZFI-LLVKDONJSA-N 1 0 252.289 2.920 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000579731108 324976743 /nfs/dbraw/zinc/97/67/43/324976743.db2.gz JRVGQMFAPHTJJR-UHFFFAOYSA-N 1 0 293.367 2.888 20 5 CFBDRO COCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000580449072 325037819 /nfs/dbraw/zinc/03/78/19/325037819.db2.gz FPLSSKGRFGIYNA-CQSZACIVSA-N 1 0 290.363 2.988 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449450 325037969 /nfs/dbraw/zinc/03/79/69/325037969.db2.gz QHTRAIXIZRWXDO-MFKMUULPSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H](C)F ZINC000581206591 325101239 /nfs/dbraw/zinc/10/12/39/325101239.db2.gz WJKXIVKOYSDKCN-WDEREUQCSA-N 1 0 297.330 2.650 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581261863 325106015 /nfs/dbraw/zinc/10/60/15/325106015.db2.gz TWNZHTORZYBHGN-CQSZACIVSA-N 1 0 277.368 2.512 20 5 CFBDRO CN(CCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000581607593 325136315 /nfs/dbraw/zinc/13/63/15/325136315.db2.gz KUXCYXZLNZBVMV-UHFFFAOYSA-N 1 0 289.335 2.635 20 5 CFBDRO COCCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583391511 325284067 /nfs/dbraw/zinc/28/40/67/325284067.db2.gz XNQKVIMRNPEHBN-CQSZACIVSA-N 1 0 290.363 2.988 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000583976512 325321875 /nfs/dbraw/zinc/32/18/75/325321875.db2.gz SOIRMCXQPVNGNS-TYNCELHUSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000384745722 336130272 /nfs/dbraw/zinc/13/02/72/336130272.db2.gz MAPALEGZOKXSGA-UFGOTCBOSA-N 1 0 264.325 2.559 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000169005279 533736701 /nfs/dbraw/zinc/73/67/01/533736701.db2.gz RVFIRIZJGPFHCH-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414861752 533925264 /nfs/dbraw/zinc/92/52/64/533925264.db2.gz WTMNNRJYXAVNNT-WDEREUQCSA-N 1 0 297.786 2.726 20 5 CFBDRO Cc1ccc(CNC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414921448 534063345 /nfs/dbraw/zinc/06/33/45/534063345.db2.gz BJXJCBJFZZOHGH-HNNXBMFYSA-N 1 0 291.395 2.771 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449758025 535755180 /nfs/dbraw/zinc/75/51/80/535755180.db2.gz UKLKGHLTEYKVGH-GHMZBOCLSA-N 1 0 270.354 2.704 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC(C[NH+](C)C)CC2)n1 ZINC000178750794 534325312 /nfs/dbraw/zinc/32/53/12/534325312.db2.gz ZDXRORRGLOCXAE-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)C[C@@H]([NH3+])c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000339393445 519235157 /nfs/dbraw/zinc/23/51/57/519235157.db2.gz GROWFRJGSANIFG-GFCCVEGCSA-N 1 0 290.323 2.615 20 5 CFBDRO CC(C)(O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000360474970 519340822 /nfs/dbraw/zinc/34/08/22/519340822.db2.gz SBOWGEAZUJVKNZ-UHFFFAOYSA-N 1 0 278.352 2.720 20 5 CFBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077456055 519688106 /nfs/dbraw/zinc/68/81/06/519688106.db2.gz UVKWYQKFTRJOLF-OAHLLOKOSA-N 1 0 280.368 2.872 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000305721127 519835926 /nfs/dbraw/zinc/83/59/26/519835926.db2.gz BJUWHHVJRXJDKK-CYBMUJFWSA-N 1 0 278.352 2.675 20 5 CFBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361022268 520292596 /nfs/dbraw/zinc/29/25/96/520292596.db2.gz KHPOHAVSLCEFTA-FNOHHLHBSA-N 1 0 278.352 2.965 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000085676246 520669924 /nfs/dbraw/zinc/66/99/24/520669924.db2.gz CRJSTVHQWFZQME-ZNMIVQPWSA-N 1 0 290.363 2.888 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000305724784 521258546 /nfs/dbraw/zinc/25/85/46/521258546.db2.gz FXLDZWLELYJHFK-NSHDSACASA-N 1 0 294.351 2.559 20 5 CFBDRO CCC[N@H+](CC)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000080694556 521610194 /nfs/dbraw/zinc/61/01/94/521610194.db2.gz GVPGBYCUODEJKC-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359111406 521641462 /nfs/dbraw/zinc/64/14/62/521641462.db2.gz VOOZNGUZTOYHHF-GFCCVEGCSA-N 1 0 278.356 2.503 20 5 CFBDRO Cc1occc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000414367460 534577176 /nfs/dbraw/zinc/57/71/76/534577176.db2.gz QRUODYOWXHZZRN-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171678506 521669304 /nfs/dbraw/zinc/66/93/04/521669304.db2.gz AMDUPGLMUHCQOO-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000339369995 521670887 /nfs/dbraw/zinc/67/08/87/521670887.db2.gz NCYBFQQSDMWQBL-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000339364204 521671320 /nfs/dbraw/zinc/67/13/20/521671320.db2.gz DYRCGENHIRANHW-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000217367056 522058966 /nfs/dbraw/zinc/05/89/66/522058966.db2.gz DZSPGJBJVYNOAO-LLVKDONJSA-N 1 0 251.330 2.737 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000142110087 522362257 /nfs/dbraw/zinc/36/22/57/522362257.db2.gz FIXVGTLPNMQKKE-WOPDTQHZSA-N 1 0 293.367 2.946 20 5 CFBDRO CC(C)(C)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452070681 534632661 /nfs/dbraw/zinc/63/26/61/534632661.db2.gz GLQGMFUUYVNWTL-LBPRGKRZSA-N 1 0 280.372 2.549 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576606 522734368 /nfs/dbraw/zinc/73/43/68/522734368.db2.gz FXOVZXBZHRHKNK-RISCZKNCSA-N 1 0 265.357 2.586 20 5 CFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C)cc1 ZINC000090539225 522846060 /nfs/dbraw/zinc/84/60/60/522846060.db2.gz VIVCVIGKVWKBHJ-OAHLLOKOSA-N 1 0 288.351 2.841 20 5 CFBDRO CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336830203 522867652 /nfs/dbraw/zinc/86/76/52/522867652.db2.gz FXPFZSWKXWGNNU-CABCVRRESA-N 1 0 278.352 2.797 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000227830418 523759425 /nfs/dbraw/zinc/75/94/25/523759425.db2.gz RAMVWKZXWPSBEO-ZIAGYGMSSA-N 1 0 278.352 2.806 20 5 CFBDRO C[NH+](C)C(C)(C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443944 524033175 /nfs/dbraw/zinc/03/31/75/524033175.db2.gz QDQUIIORRKWQIC-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CN(CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000070160762 524053311 /nfs/dbraw/zinc/05/33/11/524053311.db2.gz CBOXOFQKLGGNHA-UHFFFAOYSA-N 1 0 285.775 2.632 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000156464087 524071340 /nfs/dbraw/zinc/07/13/40/524071340.db2.gz UCHNMJKEXPSLQF-LBPRGKRZSA-N 1 0 296.392 2.979 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311010029 524097210 /nfs/dbraw/zinc/09/72/10/524097210.db2.gz ZQSIDWJQYVOORK-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)C ZINC000339254535 524258824 /nfs/dbraw/zinc/25/88/24/524258824.db2.gz NVVZMJJLWSMWBV-NSHDSACASA-N 1 0 293.367 2.900 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C[NH+](C)C ZINC000314335568 524507385 /nfs/dbraw/zinc/50/73/85/524507385.db2.gz OKLMAGKNDGEMRC-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@H](CO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305823959 524566956 /nfs/dbraw/zinc/56/69/56/524566956.db2.gz MCOPCTXQSHTVHJ-WBMJQRKESA-N 1 0 286.331 2.655 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000189739997 524581249 /nfs/dbraw/zinc/58/12/49/524581249.db2.gz GCPQUSAVJQJSNH-CYBMUJFWSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@H]1CCC[NH2+]C1 ZINC000158939228 524906120 /nfs/dbraw/zinc/90/61/20/524906120.db2.gz UUULGHCVRZBSAD-GFCCVEGCSA-N 1 0 263.341 2.705 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@@H]1CCC[NH2+]C1 ZINC000158939115 524907616 /nfs/dbraw/zinc/90/76/16/524907616.db2.gz UUULGHCVRZBSAD-LBPRGKRZSA-N 1 0 263.341 2.705 20 5 CFBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353095894 524961172 /nfs/dbraw/zinc/96/11/72/524961172.db2.gz QDEYQGJIYOVCKA-OAHLLOKOSA-N 1 0 298.342 2.997 20 5 CFBDRO Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000339891958 525242392 /nfs/dbraw/zinc/24/23/92/525242392.db2.gz RJGMTEARUAEABK-UHFFFAOYSA-N 1 0 296.286 2.803 20 5 CFBDRO Cc1cc(NCC[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338633534 525270604 /nfs/dbraw/zinc/27/06/04/525270604.db2.gz WZFUMZVYPCEUEJ-UHFFFAOYSA-N 1 0 291.273 2.896 20 5 CFBDRO Cc1ccc(O)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000231883524 525351617 /nfs/dbraw/zinc/35/16/17/525351617.db2.gz PCTZZIFGYBLPPY-UHFFFAOYSA-N 1 0 287.319 2.602 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000062726287 525369486 /nfs/dbraw/zinc/36/94/86/525369486.db2.gz BDNYTSVTNUIPDA-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC)CC1 ZINC000361001090 525458799 /nfs/dbraw/zinc/45/87/99/525458799.db2.gz YMJAJVPTTRGBHO-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000234828934 525462815 /nfs/dbraw/zinc/46/28/15/525462815.db2.gz LACDKXFACCENEW-UONOGXRCSA-N 1 0 294.351 2.507 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340474572 525463122 /nfs/dbraw/zinc/46/31/22/525463122.db2.gz SLMCINPJMUCNHJ-DOMZBBRYSA-N 1 0 278.352 2.685 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC1(C)C ZINC000312022717 525463866 /nfs/dbraw/zinc/46/38/66/525463866.db2.gz WQTVILVZQNGJMC-ZDUSSCGKSA-N 1 0 264.325 2.882 20 5 CFBDRO CSCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069429323 525512978 /nfs/dbraw/zinc/51/29/78/525512978.db2.gz AQNPLYAYMSSZSR-SNVBAGLBSA-N 1 0 254.355 2.917 20 5 CFBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000305108985 525643136 /nfs/dbraw/zinc/64/31/36/525643136.db2.gz CFXVBWLHELAZEM-DGCLKSJQSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccnc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000360263315 525694540 /nfs/dbraw/zinc/69/45/40/525694540.db2.gz BAQQHNFLWLSTMI-CHWSQXEVSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1c(C[NH2+]Cc2cnn3ccccc23)cccc1[N+](=O)[O-] ZINC000318488308 525725353 /nfs/dbraw/zinc/72/53/53/525725353.db2.gz HRMZFAPJFWJFRP-UHFFFAOYSA-N 1 0 296.330 2.841 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000235963494 525729081 /nfs/dbraw/zinc/72/90/81/525729081.db2.gz GAIRNZKDOQCSOT-HIFRSBDPSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305115086 525730260 /nfs/dbraw/zinc/73/02/60/525730260.db2.gz HQSCSLCWUYJJIO-DOMZBBRYSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228039630 525920475 /nfs/dbraw/zinc/92/04/75/525920475.db2.gz FIUZTAPARLZTTN-NEPJUHHUSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)c1 ZINC000310882683 526059455 /nfs/dbraw/zinc/05/94/55/526059455.db2.gz RVYDWHCAZZYWIQ-LLVKDONJSA-N 1 0 251.330 2.513 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050944531 526079699 /nfs/dbraw/zinc/07/96/99/526079699.db2.gz HFXKZMLXPBKMIV-UHFFFAOYSA-N 1 0 291.351 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372409823 526081410 /nfs/dbraw/zinc/08/14/10/526081410.db2.gz UXXHWCGGLDXCHY-LBPRGKRZSA-N 1 0 291.351 2.622 20 5 CFBDRO Cc1cnc(NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000361263844 526090825 /nfs/dbraw/zinc/09/08/25/526090825.db2.gz WFBNAWPBCHAJHY-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[C@H]1CCC[NH2+]1 ZINC000166840253 527334091 /nfs/dbraw/zinc/33/40/91/527334091.db2.gz GVKAHZLHPBCLCT-SNVBAGLBSA-N 1 0 269.732 2.802 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCOC2)c(Cl)c1 ZINC000230163484 527350789 /nfs/dbraw/zinc/35/07/89/527350789.db2.gz OIBNGHRTFCVBDG-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCS2)cc1 ZINC000158277370 527351172 /nfs/dbraw/zinc/35/11/72/527351172.db2.gz GQPUTDQCWRXPTQ-CYBMUJFWSA-N 1 0 266.366 2.970 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c(F)c1 ZINC000313329737 527351589 /nfs/dbraw/zinc/35/15/89/527351589.db2.gz LCVJZDUEMIVQKJ-ZIAGYGMSSA-N 1 0 282.315 2.517 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000236046521 527387772 /nfs/dbraw/zinc/38/77/72/527387772.db2.gz PRNZVIHNZSNFAB-GXTWGEPZSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1NCCC[NH+]1CCCC1 ZINC000311551279 527389417 /nfs/dbraw/zinc/38/94/17/527389417.db2.gz AUIFUARPSPDKEJ-UHFFFAOYSA-N 1 0 267.304 2.632 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193855722 527401406 /nfs/dbraw/zinc/40/14/06/527401406.db2.gz CETUTTJVUMTHRO-GFCCVEGCSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC[C@H]1CCC[NH2+]1 ZINC000166909925 527412376 /nfs/dbraw/zinc/41/23/76/527412376.db2.gz PCMKDTLXSHUSAW-LLVKDONJSA-N 1 0 286.335 2.697 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000364327973 527416311 /nfs/dbraw/zinc/41/63/11/527416311.db2.gz LCGNLSPYNUJBOV-CQSZACIVSA-N 1 0 286.335 2.628 20 5 CFBDRO CC(C)(C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174865984 527635038 /nfs/dbraw/zinc/63/50/38/527635038.db2.gz LRFRCTNBVYAWQD-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425956904 528095534 /nfs/dbraw/zinc/09/55/34/528095534.db2.gz GJNAUKNUNZEQNB-JSGCOSHPSA-N 1 0 292.379 2.921 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414861770 528101535 /nfs/dbraw/zinc/10/15/35/528101535.db2.gz GHAWNXLKXUKJQT-ZDUSSCGKSA-N 1 0 277.368 2.560 20 5 CFBDRO CCOc1cc(NC[C@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000111046002 528328700 /nfs/dbraw/zinc/32/87/00/528328700.db2.gz SFULOZNZQXMSJC-CYBMUJFWSA-N 1 0 293.367 2.890 20 5 CFBDRO CCC[NH2+]CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423306029 528517428 /nfs/dbraw/zinc/51/74/28/528517428.db2.gz DFTMLAIECMQTNX-OAHLLOKOSA-N 1 0 291.395 2.505 20 5 CFBDRO CCOc1ccc([C@H](C)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423281434 528606909 /nfs/dbraw/zinc/60/69/09/528606909.db2.gz UZTXEQZBDBFRRG-AAEUAGOBSA-N 1 0 295.383 2.627 20 5 CFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415412724 528654270 /nfs/dbraw/zinc/65/42/70/528654270.db2.gz COMNPMYYOLMWLS-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CC1(C)CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413270103 528937255 /nfs/dbraw/zinc/93/72/55/528937255.db2.gz UGYHBJXBBQFZMK-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CC[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421379499 529327827 /nfs/dbraw/zinc/32/78/27/529327827.db2.gz LGOGGAXPEFLJFW-VXGBXAGGSA-N 1 0 293.367 2.948 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459631801 534929027 /nfs/dbraw/zinc/92/90/27/534929027.db2.gz KQOZYEZCFSRQCN-XBXGTLAGSA-N 1 0 264.325 2.640 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341927274 535527007 /nfs/dbraw/zinc/52/70/07/535527007.db2.gz JFDUSHIJBFDGAU-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000459746782 535947106 /nfs/dbraw/zinc/94/71/06/535947106.db2.gz VADZIIWXPHEIBI-LNSITVRQSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1nn(C[N@H+]2CCCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000738227457 574055811 /nfs/dbraw/zinc/05/58/11/574055811.db2.gz VBSDJJFPLQUDHA-JTQLQIEISA-N 1 0 266.345 2.630 20 5 CFBDRO C[NH+](C)CC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000727931595 574074207 /nfs/dbraw/zinc/07/42/07/574074207.db2.gz NRDNOCTUPAWYEK-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000746047334 574132084 /nfs/dbraw/zinc/13/20/84/574132084.db2.gz MFPTXVGULLCZNZ-KCJUWKMLSA-N 1 0 292.257 2.823 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000746048505 574132177 /nfs/dbraw/zinc/13/21/77/574132177.db2.gz BBOVBYCHXQXDJF-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCCC3)c2)cc1 ZINC000728896619 574134950 /nfs/dbraw/zinc/13/49/50/574134950.db2.gz RMDJJIMKSFPSML-UHFFFAOYSA-N 1 0 272.308 2.512 20 5 CFBDRO C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728897329 574135384 /nfs/dbraw/zinc/13/53/84/574135384.db2.gz PHSBWLIMEHOKHT-UHFFFAOYSA-N 1 0 272.308 2.510 20 5 CFBDRO CCC1(CC)CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000755931519 574198970 /nfs/dbraw/zinc/19/89/70/574198970.db2.gz PCWWDXRAQZDBRT-UHFFFAOYSA-N 1 0 280.372 2.878 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+](C)C)C2)c1 ZINC000756121710 574211124 /nfs/dbraw/zinc/21/11/24/574211124.db2.gz ZWYPBHLOHKOZQH-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000733299533 574220008 /nfs/dbraw/zinc/22/00/08/574220008.db2.gz HGWOBKJTQMOVCX-NSHDSACASA-N 1 0 281.331 2.701 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165376 574277918 /nfs/dbraw/zinc/27/79/18/574277918.db2.gz XVZQPXWEISSXAS-CQSZACIVSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741033707 574278769 /nfs/dbraw/zinc/27/87/69/574278769.db2.gz UERATNMDKLKGCW-CYBMUJFWSA-N 1 0 294.351 2.758 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000749841174 574312043 /nfs/dbraw/zinc/31/20/43/574312043.db2.gz UWZBRILALBVBDK-KCJUWKMLSA-N 1 0 292.257 2.823 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000749841175 574312156 /nfs/dbraw/zinc/31/21/56/574312156.db2.gz UWZBRILALBVBDK-KWQFWETISA-N 1 0 292.257 2.823 20 5 CFBDRO C[C@H]1CCCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079465 574323154 /nfs/dbraw/zinc/32/31/54/574323154.db2.gz VTYGLNZKDXIIJL-WFASDCNBSA-N 1 0 278.352 2.893 20 5 CFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074350 574323298 /nfs/dbraw/zinc/32/32/98/574323298.db2.gz WGZWGWXGBQIRSO-UXIGCNINSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000736006091 574346501 /nfs/dbraw/zinc/34/65/01/574346501.db2.gz HDXZIMXGBYATCH-AWEZNQCLSA-N 1 0 294.351 2.758 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000751925066 574385099 /nfs/dbraw/zinc/38/50/99/574385099.db2.gz LKYZSOXZJRJAMD-GFCCVEGCSA-N 1 0 286.335 2.900 20 5 CFBDRO CC(C)[C@@](C)(C[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843355030 617877375 /nfs/dbraw/zinc/87/73/75/617877375.db2.gz APIPMAIXWLQGNV-CYBMUJFWSA-N 1 0 285.775 2.711 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891782568 617750677 /nfs/dbraw/zinc/75/06/77/617750677.db2.gz UXNLBLOLPNAMBB-LLVKDONJSA-N 1 0 280.324 2.683 20 5 CFBDRO C[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120706027 617775516 /nfs/dbraw/zinc/77/55/16/617775516.db2.gz XBCKPNSNVHCWGE-MNOVXSKESA-N 1 0 298.770 2.841 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000891932432 617832560 /nfs/dbraw/zinc/83/25/60/617832560.db2.gz CGVIYESOOYNNHM-GFCCVEGCSA-N 1 0 292.335 2.683 20 5 CFBDRO Cc1c(C[NH2+][C@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000934007662 617862225 /nfs/dbraw/zinc/86/22/25/617862225.db2.gz HOTALLFZDWKIJP-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO COC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000934029899 617871449 /nfs/dbraw/zinc/87/14/49/617871449.db2.gz OQDBSYMQXITWJD-CYBMUJFWSA-N 1 0 294.351 2.662 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000176261568 617888148 /nfs/dbraw/zinc/88/81/48/617888148.db2.gz UWZZKLKYIJINHP-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000176281815 617900214 /nfs/dbraw/zinc/90/02/14/617900214.db2.gz STTBPFHFOIVOMG-PHIMTYICSA-N 1 0 264.300 2.966 20 5 CFBDRO CCCCC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000934205417 617953640 /nfs/dbraw/zinc/95/36/40/617953640.db2.gz FYIZJNSEDFRVET-CQSZACIVSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000934234823 617970673 /nfs/dbraw/zinc/97/06/73/617970673.db2.gz PKXSPAFBEVEYMC-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC23CCCC3)cs1 ZINC000934390939 618027813 /nfs/dbraw/zinc/02/78/13/618027813.db2.gz IIUYGLRXJCWAGM-NSHDSACASA-N 1 0 282.365 2.848 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000049963382 618054642 /nfs/dbraw/zinc/05/46/42/618054642.db2.gz NJSKWBCQWODGCY-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000934774486 618127579 /nfs/dbraw/zinc/12/75/79/618127579.db2.gz SLGZVLNCEUTRKH-RISCZKNCSA-N 1 0 296.367 2.919 20 5 CFBDRO Cc1c(C[NH2+][C@]2(C)CCCOC2)cccc1[N+](=O)[O-] ZINC000235819505 618445242 /nfs/dbraw/zinc/44/52/42/618445242.db2.gz BNJHORCKYPNHAK-CQSZACIVSA-N 1 0 264.325 2.562 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CSC1 ZINC000895421867 618581991 /nfs/dbraw/zinc/58/19/91/618581991.db2.gz LDYGOLOVOREFRL-VZUCSPMQSA-N 1 0 278.377 2.951 20 5 CFBDRO CCc1onc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000892936376 618773537 /nfs/dbraw/zinc/77/35/37/618773537.db2.gz GVDMPZQHFQRWTC-UHFFFAOYSA-N 1 0 289.335 2.786 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2(C)CCCC2)c1[N+](=O)[O-] ZINC000892947201 618778064 /nfs/dbraw/zinc/77/80/64/618778064.db2.gz ZEROWJDHSDFYJG-UHFFFAOYSA-N 1 0 294.351 2.979 20 5 CFBDRO CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000925790612 619115346 /nfs/dbraw/zinc/11/53/46/619115346.db2.gz JIOIYKRRIHDZER-INWMFGNUSA-N 1 0 291.395 2.881 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000203997022 619196006 /nfs/dbraw/zinc/19/60/06/619196006.db2.gz XSIARNHLKLKGIA-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO C[NH+]1C[C@]2(C)CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894796901 619468736 /nfs/dbraw/zinc/46/87/36/619468736.db2.gz HDFLJPPMTWFAJA-HUUCEWRRSA-N 1 0 293.342 2.512 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000894854342 619483674 /nfs/dbraw/zinc/48/36/74/619483674.db2.gz HTEDPHVHAMDNSJ-VXGBXAGGSA-N 1 0 294.351 2.833 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CC=CCC2)c1[N+](=O)[O-] ZINC000894867519 619491361 /nfs/dbraw/zinc/49/13/61/619491361.db2.gz OCOVDQJAQFMHQG-OAHLLOKOSA-N 1 0 292.335 2.897 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C=CCC3)nc2c1 ZINC000895528067 619547302 /nfs/dbraw/zinc/54/73/02/619547302.db2.gz SPRJDZOXKACWRB-SNVBAGLBSA-N 1 0 273.292 2.792 20 5 CFBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC000895734531 619596456 /nfs/dbraw/zinc/59/64/56/619596456.db2.gz OJBOLIZGUHERRL-GWCFXTLKSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737248 619597563 /nfs/dbraw/zinc/59/75/63/619597563.db2.gz OEHUZGJBEYEHME-YGRLFVJLSA-N 1 0 286.335 2.648 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780355 619608920 /nfs/dbraw/zinc/60/89/20/619608920.db2.gz IFUXHAGDLURLNK-DRYSKOCLSA-N 1 0 290.388 2.903 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCC=CCC3)C2)c1 ZINC000895895779 619631189 /nfs/dbraw/zinc/63/11/89/619631189.db2.gz YICBBOVEYYGTSM-UHFFFAOYSA-N 1 0 276.340 2.583 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]34C[C@H]3CCCC4)C2)c1 ZINC000896268048 619707387 /nfs/dbraw/zinc/70/73/87/619707387.db2.gz MRQQEFNOXCKZLM-LPXQKFACSA-N 1 0 290.367 2.665 20 5 CFBDRO C[N@@H+]1C[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896915439 619885305 /nfs/dbraw/zinc/88/53/05/619885305.db2.gz YBLKIHJWTYVCFL-YGRLFVJLSA-N 1 0 295.770 2.636 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC23CC[NH+](C)CC3)c1 ZINC000897133196 619937472 /nfs/dbraw/zinc/93/74/72/619937472.db2.gz GJPSYNSDVWSNOO-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCC1(OC)OC)c1cccc([N+](=O)[O-])c1 ZINC000925229798 620050750 /nfs/dbraw/zinc/05/07/50/620050750.db2.gz INZBUQSWPHWKNF-KBPBESRZSA-N 1 0 294.351 2.787 20 5 CFBDRO CCn1cncc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461367 620176695 /nfs/dbraw/zinc/17/66/95/620176695.db2.gz NQDXQLNABSLLMZ-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1cnc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897465404 620177082 /nfs/dbraw/zinc/17/70/82/620177082.db2.gz VOMRPRLIXVKTIP-SNVBAGLBSA-N 1 0 275.308 2.785 20 5 CFBDRO Cc1cnn(C)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463083 620177227 /nfs/dbraw/zinc/17/72/27/620177227.db2.gz ATTSTEWLJPDMLX-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000897535647 620222050 /nfs/dbraw/zinc/22/20/50/620222050.db2.gz CJEFVGNFAMSGEF-IAQYHMDHSA-N 1 0 296.342 2.765 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000925313614 620249116 /nfs/dbraw/zinc/24/91/16/620249116.db2.gz NXRXQCZREVYISY-ZOODHJKOSA-N 1 0 276.336 2.642 20 5 CFBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925314670 620254578 /nfs/dbraw/zinc/25/45/78/620254578.db2.gz UTOGVJPPYFKYOT-CABCVRRESA-N 1 0 278.352 2.746 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC12CC(O)C2 ZINC000897846721 620293129 /nfs/dbraw/zinc/29/31/29/620293129.db2.gz UVWRNTIHAIQUAE-VRCFIRIBSA-N 1 0 288.347 2.501 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC23CC(O)C3)cc1[N+](=O)[O-] ZINC000897852020 620294229 /nfs/dbraw/zinc/29/42/29/620294229.db2.gz GXZHSWIHNQPZRW-DSSZZKGTSA-N 1 0 290.363 2.721 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000897953451 620309917 /nfs/dbraw/zinc/30/99/17/620309917.db2.gz PIWQFVDACOINBD-FRRDWIJNSA-N 1 0 276.336 2.882 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cs1 ZINC000898065423 620330524 /nfs/dbraw/zinc/33/05/24/620330524.db2.gz JBQFYCLDARCZRF-WCQYABFASA-N 1 0 294.376 2.705 20 5 CFBDRO CCOc1cc(OC[C@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000899629483 620588536 /nfs/dbraw/zinc/58/85/36/620588536.db2.gz HZBWAJUCLDGLGJ-LBPRGKRZSA-N 1 0 294.351 2.762 20 5 CFBDRO Cc1c(OC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000888298264 625457166 /nfs/dbraw/zinc/45/71/66/625457166.db2.gz FTOXKEAVFAGVMU-JQWIXIFHSA-N 1 0 292.335 2.539 20 5 CFBDRO [NH3+]C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000902414120 621084380 /nfs/dbraw/zinc/08/43/80/621084380.db2.gz SVECMAQSFQWANC-MRXNPFEDSA-N 1 0 297.358 2.765 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903082089 621245741 /nfs/dbraw/zinc/24/57/41/621245741.db2.gz XWXJRAHIHWQGSG-BXUZGUMPSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903082092 621245806 /nfs/dbraw/zinc/24/58/06/621245806.db2.gz XWXJRAHIHWQGSG-SMDDNHRTSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903088645 621248427 /nfs/dbraw/zinc/24/84/27/621248427.db2.gz KTTQRORMSLSNEJ-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096783 621259040 /nfs/dbraw/zinc/25/90/40/621259040.db2.gz KRDKUNSYVCXNGG-FIXISWKDSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000903130851 621263293 /nfs/dbraw/zinc/26/32/93/621263293.db2.gz FLEPFKUKVVCUJD-AAEUAGOBSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131470 621263635 /nfs/dbraw/zinc/26/36/35/621263635.db2.gz SPMMVFVGKSERKO-GVXVVHGQSA-N 1 0 294.351 2.822 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903146580 621268083 /nfs/dbraw/zinc/26/80/83/621268083.db2.gz HSYHVJFFFHHBPT-TZMCWYRMSA-N 1 0 298.770 2.948 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903153890 621268825 /nfs/dbraw/zinc/26/88/25/621268825.db2.gz PISSZWPWGKKPDT-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000903177948 621275993 /nfs/dbraw/zinc/27/59/93/621275993.db2.gz SMWCWMMWIXQDNE-HZMBPMFUSA-N 1 0 296.367 2.804 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903213723 621289987 /nfs/dbraw/zinc/28/99/87/621289987.db2.gz QCCZVURUNRJZKL-GMXVVIOVSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000903300307 621315256 /nfs/dbraw/zinc/31/52/56/621315256.db2.gz GTOLMVVRTXCCKB-OUCADQQQSA-N 1 0 277.368 2.646 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903301364 621315844 /nfs/dbraw/zinc/31/58/44/621315844.db2.gz PWUPKBHRNDMFKS-IPYPFGDCSA-N 1 0 291.395 2.598 20 5 CFBDRO CN1CC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903317853 621330704 /nfs/dbraw/zinc/33/07/04/621330704.db2.gz VPCQMSMFZWNSBV-GDBMZVCRSA-N 1 0 289.379 2.656 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903333422 621331782 /nfs/dbraw/zinc/33/17/82/621331782.db2.gz ZJAAOSRGXXKKJM-VHSXEESVSA-N 1 0 281.356 2.641 20 5 CFBDRO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903393178 621352463 /nfs/dbraw/zinc/35/24/63/621352463.db2.gz IDUQICUFRVHHNQ-KMUNFCNLSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903394008 621353132 /nfs/dbraw/zinc/35/31/32/621353132.db2.gz XEROSOMIRASOCJ-KMUNFCNLSA-N 1 0 290.363 2.942 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000903395158 621353786 /nfs/dbraw/zinc/35/37/86/621353786.db2.gz JJXTWBXMHJHNEQ-GAFUQQFSSA-N 1 0 264.325 2.589 20 5 CFBDRO CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406306 621361929 /nfs/dbraw/zinc/36/19/29/621361929.db2.gz UYNKWFDGVCVNOW-CABCVRRESA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903439428 621375806 /nfs/dbraw/zinc/37/58/06/621375806.db2.gz DYMPHDLYCDFOJK-UFGOTCBOSA-N 1 0 294.326 2.810 20 5 CFBDRO [NH3+][C@@H](CC(F)F)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903884395 621464077 /nfs/dbraw/zinc/46/40/77/621464077.db2.gz YRJOADOZJHAMGG-NSHDSACASA-N 1 0 299.321 2.542 20 5 CFBDRO C[C@@H](N[C@@H](C)C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000903988028 621499695 /nfs/dbraw/zinc/49/96/95/621499695.db2.gz MSBCVIYAKMJYLS-OUCADQQQSA-N 1 0 277.368 2.776 20 5 CFBDRO C[NH2+][C@@H](CC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000904079668 621517967 /nfs/dbraw/zinc/51/79/67/621517967.db2.gz KFFPGISXAVGNCB-LBPRGKRZSA-N 1 0 290.323 2.951 20 5 CFBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905086995 621692957 /nfs/dbraw/zinc/69/29/57/621692957.db2.gz CVRSOVQUZXLCHE-UHFFFAOYSA-N 1 0 290.285 2.849 20 5 CFBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000905229174 621720460 /nfs/dbraw/zinc/72/04/60/621720460.db2.gz KCWFWJVXQKUYOY-SECBINFHSA-N 1 0 276.258 2.675 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000905243278 621725842 /nfs/dbraw/zinc/72/58/42/621725842.db2.gz IWBVMOJIINFWGK-UMSPYCQHSA-N 1 0 288.269 2.818 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000905282489 621737436 /nfs/dbraw/zinc/73/74/36/621737436.db2.gz ZINRBVRICIWAOU-LSDHHAIUSA-N 1 0 262.353 2.827 20 5 CFBDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905289839 621738685 /nfs/dbraw/zinc/73/86/85/621738685.db2.gz KGLRBGWILRZSBC-CFVMTHIKSA-N 1 0 262.353 2.825 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905474278 621773729 /nfs/dbraw/zinc/77/37/29/621773729.db2.gz PGLGKKCWXQZJMT-TTYNXUAHSA-N 1 0 290.363 2.510 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCC=CCC2)c1 ZINC000905491720 621785194 /nfs/dbraw/zinc/78/51/94/621785194.db2.gz IPYUGUIUMVQKCC-HNNXBMFYSA-N 1 0 276.336 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCC=CCC2)cc1 ZINC000905624078 621800547 /nfs/dbraw/zinc/80/05/47/621800547.db2.gz MECNUMVJKCEBKL-INIZCTEOSA-N 1 0 290.363 2.964 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000905611552 621804443 /nfs/dbraw/zinc/80/44/43/621804443.db2.gz XCFOIBAONFUZDZ-OSMZGAPFSA-N 1 0 296.392 2.502 20 5 CFBDRO C[C@H](OC(=O)CC[NH2+]C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000906117692 621933078 /nfs/dbraw/zinc/93/30/78/621933078.db2.gz CZESVVDLPNKTQS-NSHDSACASA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000164246419 622943302 /nfs/dbraw/zinc/94/33/02/622943302.db2.gz QCMLGABFJZSRHY-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H](CO)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228361943 623141329 /nfs/dbraw/zinc/14/13/29/623141329.db2.gz RQJVEJVWDXVVIG-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@H]1CC[NH2+][C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000823069516 623228246 /nfs/dbraw/zinc/22/82/46/623228246.db2.gz ORAOOPXHCWPCQY-YUMQZZPRSA-N 1 0 294.336 2.767 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000230696510 623292417 /nfs/dbraw/zinc/29/24/17/623292417.db2.gz FXOKYCZXBSSQSY-NWDGAFQWSA-N 1 0 296.392 2.977 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCC(C)(C)O2)cccc1[N+](=O)[O-] ZINC000231885915 623374709 /nfs/dbraw/zinc/37/47/09/623374709.db2.gz CKVLTCNLBMXCGJ-ZDUSSCGKSA-N 1 0 278.352 2.950 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCn2ccnc21 ZINC000824527981 623518320 /nfs/dbraw/zinc/51/83/20/623518320.db2.gz ZABFTIPQKNBTTC-LMRWQKIVSA-N 1 0 298.346 2.929 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)CO ZINC000824636926 623538033 /nfs/dbraw/zinc/53/80/33/623538033.db2.gz VDGUSZSMRVDSRL-UHFFFAOYSA-N 1 0 286.759 2.699 20 5 CFBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)COC1 ZINC000825078722 623623215 /nfs/dbraw/zinc/62/32/15/623623215.db2.gz AUBFUNQJIMXISZ-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1Cl ZINC000914435344 623853112 /nfs/dbraw/zinc/85/31/12/623853112.db2.gz BQEDHJZQLGWIQQ-WCQYABFASA-N 1 0 296.754 2.763 20 5 CFBDRO CC[NH+](CC)CCSCc1cccnc1[N+](=O)[O-] ZINC000917110267 624313937 /nfs/dbraw/zinc/31/39/37/624313937.db2.gz PMYKIGZUPJMRRJ-UHFFFAOYSA-N 1 0 269.370 2.565 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000829621677 624478623 /nfs/dbraw/zinc/47/86/23/624478623.db2.gz VULANUQSHPBQLG-YGRLFVJLSA-N 1 0 296.754 2.859 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074754 625263143 /nfs/dbraw/zinc/26/31/43/625263143.db2.gz SRKHWNXMFKJVRW-WDEREUQCSA-N 1 0 297.786 2.807 20 5 CFBDRO [NH3+]CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000070149885 625273928 /nfs/dbraw/zinc/27/39/28/625273928.db2.gz GCDFFUHCKJGXFX-GFCCVEGCSA-N 1 0 297.786 2.952 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000112333518 625737150 /nfs/dbraw/zinc/73/71/50/625737150.db2.gz DKSDKBQRCSWQMQ-UHFFFAOYSA-N 1 0 296.327 2.647 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906657 625919513 /nfs/dbraw/zinc/91/95/13/625919513.db2.gz RJEUWYUOLHVINE-XDTLVQLUSA-N 1 0 275.352 2.874 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000922817297 626372356 /nfs/dbraw/zinc/37/23/56/626372356.db2.gz PBYLTRXTZLJFPQ-OAHLLOKOSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCO1 ZINC000922818564 626372861 /nfs/dbraw/zinc/37/28/61/626372861.db2.gz GDKIQGDXQYXFAA-AWEZNQCLSA-N 1 0 282.315 2.783 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000922836004 626376587 /nfs/dbraw/zinc/37/65/87/626376587.db2.gz JZNJWHJUSIEFGL-CMPLNLGQSA-N 1 0 296.392 2.977 20 5 CFBDRO CC(C)N(CCC[NH2+]C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000923309375 626465478 /nfs/dbraw/zinc/46/54/78/626465478.db2.gz KRWPLQODBYMCPO-UHFFFAOYSA-N 1 0 291.395 2.947 20 5 CFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659016 626549708 /nfs/dbraw/zinc/54/97/08/626549708.db2.gz UQUOHEVZJOFJQX-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000839681195 626552274 /nfs/dbraw/zinc/55/22/74/626552274.db2.gz QNGRYXHYCGOCIH-HOCLYGCPSA-N 1 0 290.363 2.750 20 5 CFBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000759877393 626699307 /nfs/dbraw/zinc/69/93/07/626699307.db2.gz SXRIGBHAUHAPJO-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO Cc1nn(C[NH+]2C3CCC2CC3)c2cc([N+](=O)[O-])ccc12 ZINC000761280014 626821023 /nfs/dbraw/zinc/82/10/23/626821023.db2.gz JXOVNUNAJUGPRS-UHFFFAOYSA-N 1 0 286.335 2.837 20 5 CFBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294123 626821999 /nfs/dbraw/zinc/82/19/99/626821999.db2.gz YPUHPRPVBJMURX-PHIMTYICSA-N 1 0 288.351 2.798 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766252498 627187578 /nfs/dbraw/zinc/18/75/78/627187578.db2.gz GEXXDDUWDHTNFV-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000851852882 634557931 /nfs/dbraw/zinc/55/79/31/634557931.db2.gz CVFHPKKMSXDFCK-UHFFFAOYSA-N 1 0 296.342 2.909 20 5 CFBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851854770 634559639 /nfs/dbraw/zinc/55/96/39/634559639.db2.gz XONDPNZBWCKFLH-CQSZACIVSA-N 1 0 298.314 2.555 20 5 CFBDRO CCOC(C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1)OCC ZINC000767756183 627282285 /nfs/dbraw/zinc/28/22/85/627282285.db2.gz CSGZDYFEVHUDND-UHFFFAOYSA-N 1 0 296.367 2.816 20 5 CFBDRO C[C@@H]1COCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769455660 627441458 /nfs/dbraw/zinc/44/14/58/627441458.db2.gz GYYRECARWJVTKP-AGLBCWCQSA-N 1 0 276.336 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000770361646 627515255 /nfs/dbraw/zinc/51/52/55/627515255.db2.gz WWEFAPQKTRJCSC-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC=C(Cl)Cl)CC2 ZINC000851909209 634585540 /nfs/dbraw/zinc/58/55/40/634585540.db2.gz YQPAUSGMHMQXLT-UHFFFAOYSA-N 1 0 288.134 2.667 20 5 CFBDRO CCOc1cc(NCC[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000771227583 627586360 /nfs/dbraw/zinc/58/63/60/627586360.db2.gz CJJFQBYERYUUCW-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000771458304 627605885 /nfs/dbraw/zinc/60/58/85/627605885.db2.gz GIFFXRAZRFHUGW-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000771458300 627606133 /nfs/dbraw/zinc/60/61/33/627606133.db2.gz GIFFXRAZRFHUGW-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776273924 628125135 /nfs/dbraw/zinc/12/51/35/628125135.db2.gz BKXIIXFUAFYXOU-HNNXBMFYSA-N 1 0 278.352 2.893 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593504 628163381 /nfs/dbraw/zinc/16/33/81/628163381.db2.gz XBPUZTSDLYIHAQ-ZFWWWQNUSA-N 1 0 278.352 2.606 20 5 CFBDRO CC[C@@H](CSC)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605499 628164083 /nfs/dbraw/zinc/16/40/83/628164083.db2.gz LNPRCCLPOLXUSB-GXTWGEPZSA-N 1 0 298.408 2.702 20 5 CFBDRO C[C@H](C1CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000777842689 628256465 /nfs/dbraw/zinc/25/64/65/628256465.db2.gz IVJITGCAEGWTBE-GFCCVEGCSA-N 1 0 275.352 2.515 20 5 CFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000779429011 628381390 /nfs/dbraw/zinc/38/13/90/628381390.db2.gz MSSHMIBAZBYJOK-LBPRGKRZSA-N 1 0 277.368 2.761 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC=CO1 ZINC000780570919 628478350 /nfs/dbraw/zinc/47/83/50/628478350.db2.gz SPPWDTSLYVOAPX-BRLPQQTGSA-N 1 0 274.320 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCSC2)c1 ZINC000783524580 628717127 /nfs/dbraw/zinc/71/71/27/628717127.db2.gz HFNAQDTXPFTCHF-GFCCVEGCSA-N 1 0 266.366 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCC2)cc1Cl ZINC000783637509 628729318 /nfs/dbraw/zinc/72/93/18/628729318.db2.gz GSMUCNPUJDODCA-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000783639070 628729718 /nfs/dbraw/zinc/72/97/18/628729718.db2.gz YBKPUXZSFIOHQA-JQWIXIFHSA-N 1 0 297.786 2.821 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783650862 628731265 /nfs/dbraw/zinc/73/12/65/628731265.db2.gz NXPPDAWLHYGQAQ-UHFFFAOYSA-N 1 0 270.716 2.517 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000784390501 628813600 /nfs/dbraw/zinc/81/36/00/628813600.db2.gz HLWXSAZNIAEKKM-CZUORRHYSA-N 1 0 290.363 2.916 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCC2)cc1Cl ZINC000784672689 628835762 /nfs/dbraw/zinc/83/57/62/628835762.db2.gz PFHVWVRYTUFWAB-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000786217070 628942992 /nfs/dbraw/zinc/94/29/92/628942992.db2.gz GWRSWMGZYZVTIN-AWEZNQCLSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)F)cc1Cl ZINC000788267167 629054396 /nfs/dbraw/zinc/05/43/96/629054396.db2.gz QGLBWXPVQVIIFJ-UHFFFAOYSA-N 1 0 294.685 2.620 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788607706 629086440 /nfs/dbraw/zinc/08/64/40/629086440.db2.gz CCPFIWAHNXWMNV-DMDPSCGWSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452245 629158242 /nfs/dbraw/zinc/15/82/42/629158242.db2.gz SBEJUGDXRCHSCZ-DVZHBHJUSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC(F)(F)F)cc1Cl ZINC000789578147 629167942 /nfs/dbraw/zinc/16/79/42/629167942.db2.gz AZPXCYGFMWOLKU-UHFFFAOYSA-N 1 0 298.648 2.874 20 5 CFBDRO COC(=O)/C(C)=C\C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795235181 629750368 /nfs/dbraw/zinc/75/03/68/629750368.db2.gz IRKIRLWBCPDYAK-LUAWRHEFSA-N 1 0 292.335 2.539 20 5 CFBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533563 634773106 /nfs/dbraw/zinc/77/31/06/634773106.db2.gz AZMWAGSCWOJFRX-FZMZJTMJSA-N 1 0 296.754 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000796576220 629936941 /nfs/dbraw/zinc/93/69/41/629936941.db2.gz ALDKKMQKWLSAER-INIZCTEOSA-N 1 0 290.363 2.893 20 5 CFBDRO C[NH+](C)CC1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000798960093 630264477 /nfs/dbraw/zinc/26/44/77/630264477.db2.gz CFBXTZXCZGCSQV-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000852715363 634813110 /nfs/dbraw/zinc/81/31/10/634813110.db2.gz JRCONDFVNSISIR-UHFFFAOYSA-N 1 0 297.374 2.944 20 5 CFBDRO CC[N@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(C)C ZINC000804410872 630680167 /nfs/dbraw/zinc/68/01/67/630680167.db2.gz NTSFCBJYOPGHRR-UHFFFAOYSA-N 1 0 296.327 2.645 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000804504682 630688678 /nfs/dbraw/zinc/68/86/78/630688678.db2.gz QZPVVFIRVKOFRC-CMPLNLGQSA-N 1 0 291.351 2.692 20 5 CFBDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000840884027 631250894 /nfs/dbraw/zinc/25/08/94/631250894.db2.gz JBSSZGNRKBZRKW-GHMZBOCLSA-N 1 0 293.367 2.785 20 5 CFBDRO CC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000809734616 631274352 /nfs/dbraw/zinc/27/43/52/631274352.db2.gz LIMZJPWAVOMRQH-UHFFFAOYSA-N 1 0 263.341 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000840977667 631292760 /nfs/dbraw/zinc/29/27/60/631292760.db2.gz IXIKXTOFWUMYML-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000841034243 631314629 /nfs/dbraw/zinc/31/46/29/631314629.db2.gz WRBJIGOLPPEVJE-PWSUYJOCSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000841034237 631314824 /nfs/dbraw/zinc/31/48/24/631314824.db2.gz WRBJIGOLPPEVJE-JQWIXIFHSA-N 1 0 297.786 2.726 20 5 CFBDRO CC1(C)C[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841072696 631330997 /nfs/dbraw/zinc/33/09/97/631330997.db2.gz MVIITBRDBBOZMS-CYBMUJFWSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@H]1[C@@H](C)[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000841691348 631452362 /nfs/dbraw/zinc/45/23/62/631452362.db2.gz CHUFVZXUFDXXOW-IJLUTSLNSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@@H]1[C@H](C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000841693685 631453629 /nfs/dbraw/zinc/45/36/29/631453629.db2.gz VGNIJACHAVJQHN-UTUOFQBUSA-N 1 0 288.351 2.878 20 5 CFBDRO CN1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841746602 631464092 /nfs/dbraw/zinc/46/40/92/631464092.db2.gz IZRFBZFWFVWQHD-XJKSGUPXSA-N 1 0 289.379 2.656 20 5 CFBDRO C[N@H+](CCNc1ccc(N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000811766821 631620571 /nfs/dbraw/zinc/62/05/71/631620571.db2.gz UFOIMFFPBAMNGT-UHFFFAOYSA-N 1 0 292.383 2.853 20 5 CFBDRO [NH3+]C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476217 631640859 /nfs/dbraw/zinc/64/08/59/631640859.db2.gz JLPJKZBQWISYGW-AWEZNQCLSA-N 1 0 295.358 2.731 20 5 CFBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635439 631688513 /nfs/dbraw/zinc/68/85/13/631688513.db2.gz NKVMCZNCSOBLIL-OLZOCXBDSA-N 1 0 292.383 2.897 20 5 CFBDRO O=[N+]([O-])c1ccc(/C=C\c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000842645964 631690588 /nfs/dbraw/zinc/69/05/88/631690588.db2.gz NMBXDOFLELTUGO-VVEJJEBESA-N 1 0 286.291 2.573 20 5 CFBDRO Cc1cc(N2CCC[C@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000812457901 631721252 /nfs/dbraw/zinc/72/12/52/631721252.db2.gz QMWPEASLLBVDCU-GFCCVEGCSA-N 1 0 295.358 2.820 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842929592 631784065 /nfs/dbraw/zinc/78/40/65/631784065.db2.gz NPNDVHYOLGWXPY-YGOYTEALSA-N 1 0 281.381 2.722 20 5 CFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000812893548 631803447 /nfs/dbraw/zinc/80/34/47/631803447.db2.gz XAUGCGPXEHZQGJ-AWEZNQCLSA-N 1 0 280.368 2.996 20 5 CFBDRO [NH3+]C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843047879 631813214 /nfs/dbraw/zinc/81/32/14/631813214.db2.gz ZZCHOGNKMYHZFG-GFCCVEGCSA-N 1 0 283.759 2.561 20 5 CFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000843051317 631817074 /nfs/dbraw/zinc/81/70/74/631817074.db2.gz WNQVIMGWEFOWHS-WCQYABFASA-N 1 0 297.786 2.807 20 5 CFBDRO CCc1ccc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843150547 631863079 /nfs/dbraw/zinc/86/30/79/631863079.db2.gz UJTQECYPGTYDMZ-LBPRGKRZSA-N 1 0 290.323 2.863 20 5 CFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000843150486 631863305 /nfs/dbraw/zinc/86/33/05/631863305.db2.gz JFMIRCWFUSOAOB-SNVBAGLBSA-N 1 0 296.714 2.954 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000843152499 631864679 /nfs/dbraw/zinc/86/46/79/631864679.db2.gz JQGHBEHTXZEEDJ-LBPRGKRZSA-N 1 0 290.323 2.917 20 5 CFBDRO CCC[NH2+][C@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170869 631875901 /nfs/dbraw/zinc/87/59/01/631875901.db2.gz LERGXIYFKFWLEN-SNVBAGLBSA-N 1 0 290.323 2.629 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592160 632293511 /nfs/dbraw/zinc/29/35/11/632293511.db2.gz ALKJVPNSWRKGNA-GXSJLCMTSA-N 1 0 263.341 2.874 20 5 CFBDRO C[C@H]([NH2+]CCCCF)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628085 632301890 /nfs/dbraw/zinc/30/18/90/632301890.db2.gz QWTGYPMKMTTWGQ-VIFPVBQESA-N 1 0 255.293 2.577 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000105909037 632434569 /nfs/dbraw/zinc/43/45/69/632434569.db2.gz DXZDAYQGIHMECY-BLLLJJGKSA-N 1 0 286.331 2.979 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660718 632507101 /nfs/dbraw/zinc/50/71/01/632507101.db2.gz MZSCHVWNQZOWOL-LBPRGKRZSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660713 632507625 /nfs/dbraw/zinc/50/76/25/632507625.db2.gz MWYAWDROSLGAKW-QMTHXVAHSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1c(C(=O)O[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000845674113 632514178 /nfs/dbraw/zinc/51/41/78/632514178.db2.gz ZSKPHBJAALEUTN-NSHDSACASA-N 1 0 292.335 2.544 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CCC2)cc1Cl ZINC000846105143 632632315 /nfs/dbraw/zinc/63/23/15/632632315.db2.gz OPKJNSBVNZDNIZ-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846183268 632655482 /nfs/dbraw/zinc/65/54/82/632655482.db2.gz GUNRPRWSCYNIIP-MJVIPROJSA-N 1 0 295.383 2.625 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817866374 632715579 /nfs/dbraw/zinc/71/55/79/632715579.db2.gz ZDVQVRRQOUIUAS-UHFFFAOYSA-N 1 0 295.770 2.576 20 5 CFBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817907511 632729384 /nfs/dbraw/zinc/72/93/84/632729384.db2.gz PUKGIOXANCCNHP-IINYFYTJSA-N 1 0 297.786 2.868 20 5 CFBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000819075380 632953932 /nfs/dbraw/zinc/95/39/32/632953932.db2.gz IGUREHAGVVTTPG-FZMZJTMJSA-N 1 0 280.368 2.900 20 5 CFBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000819075379 632954047 /nfs/dbraw/zinc/95/40/47/632954047.db2.gz IGUREHAGVVTTPG-BXUZGUMPSA-N 1 0 280.368 2.900 20 5 CFBDRO CC(C)CSCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819188195 633007440 /nfs/dbraw/zinc/00/74/40/633007440.db2.gz CTSWRELDKZESFX-AWEZNQCLSA-N 1 0 298.408 2.607 20 5 CFBDRO CC(F)(F)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819337053 633090147 /nfs/dbraw/zinc/09/01/47/633090147.db2.gz MUWAIZIGVJAIHP-LBPRGKRZSA-N 1 0 288.294 2.653 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000819381031 633140422 /nfs/dbraw/zinc/14/04/22/633140422.db2.gz UPCQGLZHNGEMOR-BPUTZDHNSA-N 1 0 290.363 2.654 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000848923120 633404884 /nfs/dbraw/zinc/40/48/84/633404884.db2.gz GMLUJXLJDCEMHM-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)ccc1Cl ZINC000850387802 633970479 /nfs/dbraw/zinc/97/04/79/633970479.db2.gz ACEXCGTUMWKALA-STQMWFEESA-N 1 0 296.754 2.641 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1SCCS1 ZINC000850561118 634053742 /nfs/dbraw/zinc/05/37/42/634053742.db2.gz LHXCTJDWLANPRV-LLVKDONJSA-N 1 0 296.417 2.978 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000853665177 635067397 /nfs/dbraw/zinc/06/73/97/635067397.db2.gz GLLPGOOUCIRMIR-MFKMUULPSA-N 1 0 297.305 2.673 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CN3C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000925490600 635837454 /nfs/dbraw/zinc/83/74/54/635837454.db2.gz BZPFGIWDCHVUCN-QEJZJMRPSA-N 1 0 289.379 2.648 20 5 CFBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858529169 636283784 /nfs/dbraw/zinc/28/37/84/636283784.db2.gz PDNBCJMRFKTBOW-AOVQSLKQSA-N 1 0 293.367 2.640 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159151626 650249462 /nfs/dbraw/zinc/24/94/62/650249462.db2.gz BAELINQBQPEWRZ-PSASIEDQSA-N 1 0 254.717 2.994 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000860072036 636778471 /nfs/dbraw/zinc/77/84/71/636778471.db2.gz CHEAJHNYUZFHEZ-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000049084350 650288298 /nfs/dbraw/zinc/28/82/98/650288298.db2.gz JUPKFDQVNZEANA-ZFWWWQNUSA-N 1 0 277.368 2.730 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000862529517 637409072 /nfs/dbraw/zinc/40/90/72/637409072.db2.gz MJOJJHFOVFIFQZ-BXUZGUMPSA-N 1 0 296.754 2.905 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862547847 637420724 /nfs/dbraw/zinc/42/07/24/637420724.db2.gz QUHQFMRJSMAJIF-PHIMTYICSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000863483255 637674610 /nfs/dbraw/zinc/67/46/10/637674610.db2.gz SZBKCARADBVMGB-ZDUSSCGKSA-N 1 0 295.770 2.622 20 5 CFBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865398474 638308935 /nfs/dbraw/zinc/30/89/35/638308935.db2.gz WJPHZFAXUNFJCN-UHFFFAOYSA-N 1 0 285.294 2.674 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865537170 638406208 /nfs/dbraw/zinc/40/62/08/638406208.db2.gz BCXFNWKFPSMIIB-JTQLQIEISA-N 1 0 299.321 2.920 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777771 638567049 /nfs/dbraw/zinc/56/70/49/638567049.db2.gz BWVKKDXOLJUMDX-AWEZNQCLSA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H](O)C2CCCC2)c1 ZINC000865875241 638635243 /nfs/dbraw/zinc/63/52/43/638635243.db2.gz HMSQLEFAJQQRFL-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)C2CCCC2)cs1 ZINC000865876878 638637429 /nfs/dbraw/zinc/63/74/29/638637429.db2.gz XXGGPKUIJYXUMF-GFCCVEGCSA-N 1 0 284.381 2.687 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC000865877537 638637827 /nfs/dbraw/zinc/63/78/27/638637827.db2.gz ZGCNEKMESHJRBB-INIZCTEOSA-N 1 0 292.379 2.934 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000865903889 638651624 /nfs/dbraw/zinc/65/16/24/638651624.db2.gz LOIAEJOZHQCTEC-MNOVXSKESA-N 1 0 295.770 2.636 20 5 CFBDRO CC(C)[NH+]1CCC(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000866085026 638729822 /nfs/dbraw/zinc/72/98/22/638729822.db2.gz LUUKYNIIAFKCMX-UHFFFAOYSA-N 1 0 292.383 2.912 20 5 CFBDRO CC(C)[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000866084944 638730294 /nfs/dbraw/zinc/73/02/94/638730294.db2.gz KOBRVUVMYFEEMS-UHFFFAOYSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1nc(NC2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000866146807 638757924 /nfs/dbraw/zinc/75/79/24/638757924.db2.gz DXIHOJGKNLIVEZ-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207955 638770798 /nfs/dbraw/zinc/77/07/98/638770798.db2.gz RYJRNHUYSPJNPO-ZYHUDNBSSA-N 1 0 295.770 2.779 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866248477 638779664 /nfs/dbraw/zinc/77/96/64/638779664.db2.gz PIKQTNFBDPOXGI-LLVKDONJSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CCO ZINC000866275698 638787158 /nfs/dbraw/zinc/78/71/58/638787158.db2.gz DYVYVGSJLKZYEZ-NSHDSACASA-N 1 0 298.358 2.663 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866284319 638789190 /nfs/dbraw/zinc/78/91/90/638789190.db2.gz AMBOVFXXXKLEJT-SNVBAGLBSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000866304384 638792950 /nfs/dbraw/zinc/79/29/50/638792950.db2.gz WYYHBWDUOIVUQN-CABZTGNLSA-N 1 0 284.356 2.760 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@H](C)CO ZINC000866312989 638795732 /nfs/dbraw/zinc/79/57/32/638795732.db2.gz TWBICZRXGYZSGN-NWDGAFQWSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCOC1 ZINC000866338064 638798619 /nfs/dbraw/zinc/79/86/19/638798619.db2.gz OBJGBJXKAUVKKU-NWDGAFQWSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)O ZINC000866364311 638804943 /nfs/dbraw/zinc/80/49/43/638804943.db2.gz QWIGJTPOUXQEDQ-QWRGUYRKSA-N 1 0 298.358 2.804 20 5 CFBDRO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cccc([N+](=O)[O-])c1 ZINC000866447458 638823857 /nfs/dbraw/zinc/82/38/57/638823857.db2.gz JHNHEDZHSGPHPF-AUUNLFOPSA-N 1 0 288.347 2.669 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000866479178 638827900 /nfs/dbraw/zinc/82/79/00/638827900.db2.gz QYFMLUWMEKNEMN-SNVBAGLBSA-N 1 0 275.308 2.929 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866581882 638848578 /nfs/dbraw/zinc/84/85/78/638848578.db2.gz BPQQEIZBJFHSMR-IPYPFGDCSA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000866613050 638854592 /nfs/dbraw/zinc/85/45/92/638854592.db2.gz DZAGUQGRCZPTGN-GWCFXTLKSA-N 1 0 286.335 2.666 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000866613053 638854712 /nfs/dbraw/zinc/85/47/12/638854712.db2.gz DZAGUQGRCZPTGN-ZWNOBZJWSA-N 1 0 286.335 2.666 20 5 CFBDRO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000866702655 638867791 /nfs/dbraw/zinc/86/77/91/638867791.db2.gz DGSUCIPEOKVDAH-AWEZNQCLSA-N 1 0 297.424 2.853 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+](CCCCO)C2CC2)ccc1Cl ZINC000122653786 639301276 /nfs/dbraw/zinc/30/12/76/639301276.db2.gz LBOAEVNIZJJPPZ-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1ccc(CO[NH+]=C(N)C(C)C)cc1[N+](=O)[O-] ZINC000871741890 641432162 /nfs/dbraw/zinc/43/21/62/641432162.db2.gz ZUHHDBSWGYZNLX-UHFFFAOYSA-N 1 0 251.286 2.558 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028444 641559221 /nfs/dbraw/zinc/55/92/21/641559221.db2.gz PQCXWWMAGRSEEJ-MNOVXSKESA-N 1 0 282.315 2.954 20 5 CFBDRO Cc1nccn1CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031682 641561726 /nfs/dbraw/zinc/56/17/26/641561726.db2.gz SPXJQUGUNFMEQQ-JTQLQIEISA-N 1 0 292.314 2.590 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](C)O ZINC000872033504 641564373 /nfs/dbraw/zinc/56/43/73/641564373.db2.gz DCQQQPLESLBSGQ-VHSXEESVSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034470 641566069 /nfs/dbraw/zinc/56/60/69/641566069.db2.gz OTNVZXUDGJFEBL-GHMZBOCLSA-N 1 0 293.342 2.621 20 5 CFBDRO C[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034514 641566326 /nfs/dbraw/zinc/56/63/26/641566326.db2.gz PJSWNVCXHKKSRP-GHMZBOCLSA-N 1 0 295.358 2.867 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036138 641568653 /nfs/dbraw/zinc/56/86/53/641568653.db2.gz QJIOQXREDKEKHJ-OUJBWJOFSA-N 1 0 284.331 2.792 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CCO ZINC000872039295 641573175 /nfs/dbraw/zinc/57/31/75/641573175.db2.gz FMFIDQFEINMKBX-WDEREUQCSA-N 1 0 298.408 2.986 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC000872042108 641576850 /nfs/dbraw/zinc/57/68/50/641576850.db2.gz NEFSIVAJICPGMT-ZWNOBZJWSA-N 1 0 298.408 2.984 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872052794 641587203 /nfs/dbraw/zinc/58/72/03/641587203.db2.gz UIEOHIHFUZFOCQ-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+]CCCCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872054497 641589405 /nfs/dbraw/zinc/58/94/05/641589405.db2.gz XHLUUXWDICZFDH-NSHDSACASA-N 1 0 284.331 2.937 20 5 CFBDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063001 641594255 /nfs/dbraw/zinc/59/42/55/641594255.db2.gz SGUDCQSEJHMLON-SNVBAGLBSA-N 1 0 282.315 2.547 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063496 641595197 /nfs/dbraw/zinc/59/51/97/641595197.db2.gz QQAOHSJJVVKLMS-UWJYBYFXSA-N 1 0 282.315 2.544 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063662 641595344 /nfs/dbraw/zinc/59/53/44/641595344.db2.gz RLCKGALTVUKZPI-ANDSXOESSA-N 1 0 282.315 2.712 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063664 641595779 /nfs/dbraw/zinc/59/57/79/641595779.db2.gz RLCKGALTVUKZPI-MJKAUQOVSA-N 1 0 282.315 2.712 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074874 641607091 /nfs/dbraw/zinc/60/70/91/641607091.db2.gz JUGLUHZMEUVLOU-JOYOIKCWSA-N 1 0 282.315 2.952 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])COC1 ZINC000872077152 641608769 /nfs/dbraw/zinc/60/87/69/641608769.db2.gz ZXRLTQZRJAOWFK-SNVBAGLBSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078881 641611117 /nfs/dbraw/zinc/61/11/17/641611117.db2.gz TYFKJWAKYBDMEY-OUJBWJOFSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085295 641618698 /nfs/dbraw/zinc/61/86/98/641618698.db2.gz PCWGCYWIHQDDCG-VHSXEESVSA-N 1 0 282.315 2.952 20 5 CFBDRO CC1(C)CO[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000872105233 641636778 /nfs/dbraw/zinc/63/67/78/641636778.db2.gz DSHWNKDPBPHNAR-RISCZKNCSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872105417 641636989 /nfs/dbraw/zinc/63/69/89/641636989.db2.gz IURXPZYRJBSLLZ-PWSUYJOCSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872112425 641642351 /nfs/dbraw/zinc/64/23/51/641642351.db2.gz JCNZVXGQSCTZCP-NEPJUHHUSA-N 1 0 292.335 2.589 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000873016044 641985065 /nfs/dbraw/zinc/98/50/65/641985065.db2.gz DDQGHYMKYXQANS-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO Cc1c(C[NH2+]Cc2ccccc2CO)cccc1[N+](=O)[O-] ZINC000873021981 641987157 /nfs/dbraw/zinc/98/71/57/641987157.db2.gz QVHRYQGXQCKBPF-UHFFFAOYSA-N 1 0 286.331 2.685 20 5 CFBDRO Cc1c(C[NH2+]CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000873024663 641987998 /nfs/dbraw/zinc/98/79/98/641987998.db2.gz YKGGBJUNNBOWJT-UHFFFAOYSA-N 1 0 286.331 2.941 20 5 CFBDRO Cc1c(C[NH2+]CC[S@@](=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873053005 641996770 /nfs/dbraw/zinc/99/67/70/641996770.db2.gz CEOXVAPLJDQJAU-HXUWFJFHSA-N 1 0 298.408 2.540 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000873126229 642020109 /nfs/dbraw/zinc/02/01/09/642020109.db2.gz PSGMMXZVAQTRSZ-GXTWGEPZSA-N 1 0 292.379 2.974 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000873126182 642020267 /nfs/dbraw/zinc/02/02/67/642020267.db2.gz OYTFSFASPSAVLV-DGCLKSJQSA-N 1 0 278.352 2.665 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000873128371 642020618 /nfs/dbraw/zinc/02/06/18/642020618.db2.gz MFCCLACDWUMAHW-BLLLJJGKSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000873150099 642031522 /nfs/dbraw/zinc/03/15/22/642031522.db2.gz XCQJRRLVPMVETB-CZUORRHYSA-N 1 0 290.363 2.869 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873148579 642031561 /nfs/dbraw/zinc/03/15/61/642031561.db2.gz DVYZBKMGAYVRIQ-HAQNSBGRSA-N 1 0 266.366 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c(F)c1 ZINC000873155883 642038065 /nfs/dbraw/zinc/03/80/65/642038065.db2.gz HWULTLWCDVVFCJ-DGFSRKRXSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1ccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253486 642098997 /nfs/dbraw/zinc/09/89/97/642098997.db2.gz YKZDILLORVTQMI-UONOGXRCSA-N 1 0 277.368 2.653 20 5 CFBDRO C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000124753129 642309796 /nfs/dbraw/zinc/30/97/96/642309796.db2.gz MFUILFSVRNIKSM-MRVPVSSYSA-N 1 0 257.721 2.610 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876609939 642943926 /nfs/dbraw/zinc/94/39/26/642943926.db2.gz UHKPIORKAOQORL-ZDUSSCGKSA-N 1 0 278.352 2.822 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876985167 643093468 /nfs/dbraw/zinc/09/34/68/643093468.db2.gz VJIXFVUKYYRRMC-SBUHAPDTSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877046273 643119858 /nfs/dbraw/zinc/11/98/58/643119858.db2.gz KNZUCEVDHUTGNP-QFWMXSHPSA-N 1 0 278.356 2.663 20 5 CFBDRO Cc1c(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530708 643335588 /nfs/dbraw/zinc/33/55/88/643335588.db2.gz GDNMGPINBGDDIB-WFASDCNBSA-N 1 0 291.395 2.675 20 5 CFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561777 643360686 /nfs/dbraw/zinc/36/06/86/643360686.db2.gz QPTSKFWKFQUMPG-UKRRQHHQSA-N 1 0 292.379 2.804 20 5 CFBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000877565511 643365292 /nfs/dbraw/zinc/36/52/92/643365292.db2.gz HWTRLUKCNSDPQQ-UHFFFAOYSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000877596223 643387666 /nfs/dbraw/zinc/38/76/66/643387666.db2.gz JZRYMFIWJCTMRG-AWEZNQCLSA-N 1 0 291.395 2.738 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCC(F)CC3)C2)c1 ZINC000877607195 643394634 /nfs/dbraw/zinc/39/46/34/643394634.db2.gz AMGMYZXVOSYEHU-UHFFFAOYSA-N 1 0 296.346 2.613 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)C2)c1 ZINC000877631807 643416424 /nfs/dbraw/zinc/41/64/24/643416424.db2.gz WJVAZSPESOZHSZ-KBJMEZGRSA-N 1 0 290.367 2.521 20 5 CFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CSC1 ZINC000877634006 643417741 /nfs/dbraw/zinc/41/77/41/643417741.db2.gz JPEUUASVNPNBAG-UHFFFAOYSA-N 1 0 292.282 2.819 20 5 CFBDRO C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000877701208 643464163 /nfs/dbraw/zinc/46/41/63/643464163.db2.gz NFCHIVLEQZNKBF-UHFFFAOYSA-N 1 0 291.395 2.553 20 5 CFBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000877701516 643464717 /nfs/dbraw/zinc/46/47/17/643464717.db2.gz ZBJQRRIQELURKR-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000877736874 643497696 /nfs/dbraw/zinc/49/76/96/643497696.db2.gz BKXPSTVIUOWOCS-OLZOCXBDSA-N 1 0 278.377 2.780 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000877737720 643499900 /nfs/dbraw/zinc/49/99/00/643499900.db2.gz HWOJISQIJJHMFJ-OLZOCXBDSA-N 1 0 278.377 2.780 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000126726827 643584972 /nfs/dbraw/zinc/58/49/72/643584972.db2.gz XOMZRZIDLFWWAM-ABAIWWIYSA-N 1 0 278.352 2.797 20 5 CFBDRO C=C/C=C/CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251652 643807791 /nfs/dbraw/zinc/80/77/91/643807791.db2.gz PQVHPCRKKBUZEX-OOPCZODUSA-N 1 0 288.351 2.608 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000878920790 644076384 /nfs/dbraw/zinc/07/63/84/644076384.db2.gz VZLIXSQIRSDBMR-SWLSCSKDSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000879265283 644200691 /nfs/dbraw/zinc/20/06/91/644200691.db2.gz GPAOQGBXDWOZDS-OSAQELSMSA-N 1 0 292.383 2.658 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563540 644322798 /nfs/dbraw/zinc/32/27/98/644322798.db2.gz CIQNNRBYRSOIBZ-RYUDHWBXSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000880091912 644528320 /nfs/dbraw/zinc/52/83/20/644528320.db2.gz MVFIRONDQYCRHG-GRYCIOLGSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000880093208 644529498 /nfs/dbraw/zinc/52/94/98/644529498.db2.gz POUAPMZCSFBTMP-TUAOUCFPSA-N 1 0 264.325 2.813 20 5 CFBDRO COCC1([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000880184714 644568030 /nfs/dbraw/zinc/56/80/30/644568030.db2.gz QHLATMZFSCWWDE-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880237991 644601094 /nfs/dbraw/zinc/60/10/94/644601094.db2.gz MJAABWOQLWXMJO-LLVKDONJSA-N 1 0 282.315 2.785 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880300546 644640846 /nfs/dbraw/zinc/64/08/46/644640846.db2.gz GUHDMXXEUUIOSF-GFCCVEGCSA-N 1 0 252.289 2.695 20 5 CFBDRO [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633629 650943601 /nfs/dbraw/zinc/94/36/01/650943601.db2.gz HBUSQZRURVWESI-GFCCVEGCSA-N 1 0 283.759 2.561 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881855116 645140905 /nfs/dbraw/zinc/14/09/05/645140905.db2.gz MKMYDRGDTAAWCV-UHFFFAOYSA-N 1 0 296.346 2.805 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000130037655 645443462 /nfs/dbraw/zinc/44/34/62/645443462.db2.gz FNWQZQAUPLVYQI-SECBINFHSA-N 1 0 263.322 2.902 20 5 CFBDRO CC[N@@H+]1CC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000882960425 645530061 /nfs/dbraw/zinc/53/00/61/645530061.db2.gz JLEPILOJTSWOAK-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130698056 645554640 /nfs/dbraw/zinc/55/46/40/645554640.db2.gz PWPWNCNZSJEWRW-LBPRGKRZSA-N 1 0 266.345 2.649 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883090166 645601764 /nfs/dbraw/zinc/60/17/64/645601764.db2.gz DFDHUTOFRRJTKK-MUBLQREKSA-N 1 0 278.352 2.628 20 5 CFBDRO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000883208101 645665558 /nfs/dbraw/zinc/66/55/58/645665558.db2.gz ZGYOGZSOEABPCV-WCQYABFASA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@H]([NH2+]CCc1ccns1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883247305 645695503 /nfs/dbraw/zinc/69/55/03/645695503.db2.gz GBIRQKPLUCLNJV-VIFPVBQESA-N 1 0 292.364 2.527 20 5 CFBDRO CC[C@@H](c1ccncc1)N(CC)Cn1cc([N+](=O)[O-])cn1 ZINC000131440187 645724713 /nfs/dbraw/zinc/72/47/13/645724713.db2.gz ZQMBLIOAFPHCDB-AWEZNQCLSA-N 1 0 289.339 2.617 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000883354923 645759896 /nfs/dbraw/zinc/75/98/96/645759896.db2.gz FEVZUXDWZJFRBQ-TZMCWYRMSA-N 1 0 277.368 2.648 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(COC3)CC2)cs1 ZINC000883392013 645791380 /nfs/dbraw/zinc/79/13/80/645791380.db2.gz YFNIRFIDSPNKCZ-UHFFFAOYSA-N 1 0 282.365 2.705 20 5 CFBDRO C[NH2+]C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000883449933 645838894 /nfs/dbraw/zinc/83/88/94/645838894.db2.gz RMGIBZCTVVIRDX-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1cc(C(=O)OCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000800150851 646157164 /nfs/dbraw/zinc/15/71/64/646157164.db2.gz FMZZQQQMHXPMPV-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO COC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135232519 646495369 /nfs/dbraw/zinc/49/53/69/646495369.db2.gz RTTVMLSHHZCFPY-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO CCCO[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886004261 646809020 /nfs/dbraw/zinc/80/90/20/646809020.db2.gz VYOTYXYWUFRWMC-CQSZACIVSA-N 1 0 293.367 2.771 20 5 CFBDRO CCCN(CC[NH+](CC)CC)Cc1cccnc1[N+](=O)[O-] ZINC000886136191 646888536 /nfs/dbraw/zinc/88/85/36/646888536.db2.gz IGPZTAHIJAUYKM-UHFFFAOYSA-N 1 0 294.399 2.544 20 5 CFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886143247 646893024 /nfs/dbraw/zinc/89/30/24/646893024.db2.gz XRXYIZDBDGLTPI-KBPBESRZSA-N 1 0 293.367 2.673 20 5 CFBDRO COCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000886168715 646904804 /nfs/dbraw/zinc/90/48/04/646904804.db2.gz XOSWJOLFYOZZFZ-JSGCOSHPSA-N 1 0 293.367 2.627 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)co2)cc1 ZINC000886347014 646981536 /nfs/dbraw/zinc/98/15/36/646981536.db2.gz WIKDUAMMQXSLQW-TXEJJXNPSA-N 1 0 285.303 2.702 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886559653 647047179 /nfs/dbraw/zinc/04/71/79/647047179.db2.gz AMDRJRGLRKYYSO-SDDRHHMPSA-N 1 0 278.377 2.951 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815442 647148917 /nfs/dbraw/zinc/14/89/17/647148917.db2.gz DQKXGEYLQXCJBV-DOMZBBRYSA-N 1 0 294.326 2.735 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815672 647149287 /nfs/dbraw/zinc/14/92/87/647149287.db2.gz HXYBGIMZOHXOSN-ZBFHGGJFSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886836139 647157382 /nfs/dbraw/zinc/15/73/82/647157382.db2.gz VWOJQNNHNPNDQI-NHYWBVRUSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000886869856 647163591 /nfs/dbraw/zinc/16/35/91/647163591.db2.gz KAIGKRCZIIQLMH-CQSZACIVSA-N 1 0 295.408 2.622 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1(Cl)CC1 ZINC000924953503 648077921 /nfs/dbraw/zinc/07/79/21/648077921.db2.gz CNOINIJMBFNEPX-SECBINFHSA-N 1 0 284.743 2.853 20 5 CFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000925467211 648176004 /nfs/dbraw/zinc/17/60/04/648176004.db2.gz QTJVLJNLLWGKHW-ZDUSSCGKSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635551 648253865 /nfs/dbraw/zinc/25/38/65/648253865.db2.gz NWVZRTIZEUTHRR-BPNCWPANSA-N 1 0 275.352 2.515 20 5 CFBDRO C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635555 648254010 /nfs/dbraw/zinc/25/40/10/648254010.db2.gz NWVZRTIZEUTHRR-LEWSCRJBSA-N 1 0 275.352 2.515 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000926493226 648508429 /nfs/dbraw/zinc/50/84/29/648508429.db2.gz PXACTRDBWWKXAM-ZHPDPMBESA-N 1 0 264.325 2.669 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927023512 648686751 /nfs/dbraw/zinc/68/67/51/648686751.db2.gz UIYKIDKDWAFGFR-QWRGUYRKSA-N 1 0 284.331 2.936 20 5 CFBDRO CCCN(CC[N+](=O)[O-])[C@@H](C)c1ccccc1OC ZINC000929383872 649042930 /nfs/dbraw/zinc/04/29/30/649042930.db2.gz XNOGBLJJGGQMJN-LBPRGKRZSA-N 1 0 266.341 2.745 20 5 CFBDRO Cc1c(C[NH2+]CCc2ccccn2)cccc1[N+](=O)[O-] ZINC000035648708 649265825 /nfs/dbraw/zinc/26/58/25/649265825.db2.gz YSPOSLIYXBTPTE-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CC(C)([NH2+]CCOC1CC1)c1ccccc1[N+](=O)[O-] ZINC000930554827 649272402 /nfs/dbraw/zinc/27/24/02/649272402.db2.gz PGKVMSMLRLBQAT-UHFFFAOYSA-N 1 0 264.325 2.599 20 5 CFBDRO O=[N+]([O-])CC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000930610785 649287050 /nfs/dbraw/zinc/28/70/50/649287050.db2.gz DIWXUJNQRZGCQR-UHFFFAOYSA-N 1 0 285.347 2.691 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931043998 649370540 /nfs/dbraw/zinc/37/05/40/649370540.db2.gz UFAPEOFXTSFGDO-YRGRVCCFSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C)CC1 ZINC000932344941 649580808 /nfs/dbraw/zinc/58/08/08/649580808.db2.gz DNILZGRKXVWEKC-VXGBXAGGSA-N 1 0 264.325 2.767 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(C3CCC3)CC2)c1 ZINC000932821410 649646541 /nfs/dbraw/zinc/64/65/41/649646541.db2.gz PDQNWPPBDYSWSC-UHFFFAOYSA-N 1 0 290.363 2.722 20 5 CFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934200356 649759365 /nfs/dbraw/zinc/75/93/65/649759365.db2.gz CQXIVMJLLBPBIW-SNVBAGLBSA-N 1 0 293.348 2.781 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000934228565 649763997 /nfs/dbraw/zinc/76/39/97/649763997.db2.gz BNKYKVSLNITKLN-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000934235396 649765041 /nfs/dbraw/zinc/76/50/41/649765041.db2.gz UBOVVJWJDXLRHM-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000934235457 649765138 /nfs/dbraw/zinc/76/51/38/649765138.db2.gz VFTGRGUCIDUMQZ-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000934336906 649776394 /nfs/dbraw/zinc/77/63/94/649776394.db2.gz HOUQWCFZRDIJHE-TUKIKUTGSA-N 1 0 276.336 2.503 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934383625 649781783 /nfs/dbraw/zinc/78/17/83/649781783.db2.gz OFLWRUUDIBSTLZ-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000934674773 649814175 /nfs/dbraw/zinc/81/41/75/649814175.db2.gz QGILLALBBYRZBJ-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000420403753 651089277 /nfs/dbraw/zinc/08/92/77/651089277.db2.gz NOXYUBQTZGGHEO-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO Cc1cc(Br)cc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228059583 776381931 /nfs/dbraw/zinc/38/19/31/776381931.db2.gz VVRZQUQFFVSZOZ-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO C[N+](C)(C)CCCO[C@H](c1cccnc1)C(F)(F)F ZINC001224624817 778605530 /nfs/dbraw/zinc/60/55/30/778605530.db2.gz ZSAMAQZMWNLJRX-GFCCVEGCSA-N 1 0 277.310 2.798 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000891448052 770613676 /nfs/dbraw/zinc/61/36/76/770613676.db2.gz XWDBAOBMOVJHDC-JTQLQIEISA-N 1 0 280.324 2.541 20 5 CFBDRO CC(C)(C)[NH+]1CCC(OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224113962 775103852 /nfs/dbraw/zinc/10/38/52/775103852.db2.gz LVQPMBWQAVYNTA-UHFFFAOYSA-N 1 0 293.367 2.769 20 5 CFBDRO C[NH+](C)CC[C@@H](O[C@H](C[N+](=O)[O-])C1CC1)c1ccccc1 ZINC001224133291 775107519 /nfs/dbraw/zinc/10/75/19/775107519.db2.gz KRVCUTGZTZCHTA-HZPDHXFCSA-N 1 0 292.379 2.751 20 5 CFBDRO C[N@@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204583 775128656 /nfs/dbraw/zinc/12/86/56/775128656.db2.gz SIAOGNYJTFZPEU-ZDUSSCGKSA-N 1 0 286.331 2.969 20 5 CFBDRO C[N+](C)(C)CCCOC(C(F)(F)F)C(F)(F)F ZINC001224619685 775227748 /nfs/dbraw/zinc/22/77/48/775227748.db2.gz QBPOSBSGVRBWRI-UHFFFAOYSA-N 1 0 268.221 2.593 20 5 CFBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(N(C)C)c1 ZINC001224772671 775269179 /nfs/dbraw/zinc/26/91/79/775269179.db2.gz BJBPIEJPNIJYNG-ZDUSSCGKSA-N 1 0 251.394 2.536 20 5 CFBDRO N=C(Nc1ccc([N+](=O)[O-])c2ccccc12)SCC[NH3+] ZINC001167913317 775296338 /nfs/dbraw/zinc/29/63/38/775296338.db2.gz WUUHDFXXDUFLAP-UHFFFAOYSA-N 1 0 290.348 2.787 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1F ZINC001217981792 775418234 /nfs/dbraw/zinc/41/82/34/775418234.db2.gz QLZPUBMNOHZZCG-TVQRCGJNSA-N 1 0 286.278 2.511 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001225382718 775437291 /nfs/dbraw/zinc/43/72/91/775437291.db2.gz QMPQOWPGTYKFQK-PEGIJTEDSA-N 1 0 280.299 2.738 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225385003 775437809 /nfs/dbraw/zinc/43/78/09/775437809.db2.gz PSILDBYLTVMUSK-XYPYZODXSA-N 1 0 282.315 2.986 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC[C@H]1C ZINC001218030731 775455195 /nfs/dbraw/zinc/45/51/95/775455195.db2.gz UROTVRNXSKQUEH-NOZJJQNGSA-N 1 0 282.315 2.809 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC[C@@H]1C ZINC001218030734 775455304 /nfs/dbraw/zinc/45/53/04/775455304.db2.gz UROTVRNXSKQUEH-ZANVPECISA-N 1 0 282.315 2.809 20 5 CFBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[NH2+]1 ZINC001218046270 775458405 /nfs/dbraw/zinc/45/84/05/775458405.db2.gz SOLVDJSYJZYHTQ-APPZFPTMSA-N 1 0 290.241 2.743 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218116812 775486576 /nfs/dbraw/zinc/48/65/76/775486576.db2.gz LJMOOMUMKXUEMC-QWHCGFSZSA-N 1 0 282.727 2.769 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225578019 775509031 /nfs/dbraw/zinc/50/90/31/775509031.db2.gz LIHOYDMURWDZNT-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225578057 775509903 /nfs/dbraw/zinc/50/99/03/775509903.db2.gz LLRPJUMAELMSKB-LBPRGKRZSA-N 1 0 282.315 2.986 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225665595 775548590 /nfs/dbraw/zinc/54/85/90/775548590.db2.gz BKQXJNLVQOOYTQ-JTQLQIEISA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1c(O[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689931 775559625 /nfs/dbraw/zinc/55/96/25/775559625.db2.gz RPVPCNJFFIDHHJ-LBPRGKRZSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)ccc1O ZINC001225701106 775563894 /nfs/dbraw/zinc/56/38/94/775563894.db2.gz XPEDPJUKWOLUCK-SECBINFHSA-O 1 0 289.193 2.628 20 5 CFBDRO CCOC(=O)c1c(C)cccc1O[C@H](C)C[N+](C)(C)C ZINC001225810201 775601585 /nfs/dbraw/zinc/60/15/85/775601585.db2.gz LWQVPUDZOBNUOH-CYBMUJFWSA-N 1 0 280.388 2.645 20 5 CFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218382481 775604060 /nfs/dbraw/zinc/60/40/60/775604060.db2.gz BXQQXWGJWWMTIS-SSDLBLMSSA-N 1 0 277.107 2.641 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC000293348602 775622551 /nfs/dbraw/zinc/62/25/51/775622551.db2.gz ZDXYAIZFYRAOMW-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC001225941592 775642554 /nfs/dbraw/zinc/64/25/54/775642554.db2.gz HQEWCBWWDFPCPT-UHFFFAOYSA-N 1 0 280.299 2.740 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226010299 775667153 /nfs/dbraw/zinc/66/71/53/775667153.db2.gz SJNXVKXFUNFEFK-XYPYZODXSA-N 1 0 282.315 2.986 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218482828 775683320 /nfs/dbraw/zinc/68/33/20/775683320.db2.gz PIUIUXFKJVBOAN-RNCFNFMXSA-N 1 0 264.325 2.588 20 5 CFBDRO CC(C)OC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001226074536 775690779 /nfs/dbraw/zinc/69/07/79/775690779.db2.gz XYQAGLMNMYXRNM-ZDUSSCGKSA-N 1 0 280.388 2.725 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258668 775759176 /nfs/dbraw/zinc/75/91/76/775759176.db2.gz PIFWQDQTYVRVOS-NSHDSACASA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001226265849 775762539 /nfs/dbraw/zinc/76/25/39/775762539.db2.gz MCZHEVJDRSBBCV-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001226265846 775762610 /nfs/dbraw/zinc/76/26/10/775762610.db2.gz MCZHEVJDRSBBCV-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001226302696 775772905 /nfs/dbraw/zinc/77/29/05/775772905.db2.gz IAUISFLHHGOZNZ-MRVPVSSYSA-N 1 0 292.257 2.943 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226365620 775791662 /nfs/dbraw/zinc/79/16/62/775791662.db2.gz DMOQCADAVYBOBC-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+](C)C)CC2)c1 ZINC001226445995 775825796 /nfs/dbraw/zinc/82/57/96/775825796.db2.gz KODUYSDBJPZIAI-HAQNSBGRSA-N 1 0 294.351 2.855 20 5 CFBDRO CC(C)(C)c1ccc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167730319 775850348 /nfs/dbraw/zinc/85/03/48/775850348.db2.gz GBRZMCSVMVPGAJ-UHFFFAOYSA-N 1 0 288.351 2.579 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC001226530928 775862966 /nfs/dbraw/zinc/86/29/66/775862966.db2.gz IJAPBQNDAJFAGX-ZDUSSCGKSA-N 1 0 292.335 2.661 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(Cl)CC1 ZINC000695649602 775909818 /nfs/dbraw/zinc/90/98/18/775909818.db2.gz RWRIDPQMVABJOB-VIFPVBQESA-N 1 0 254.717 2.844 20 5 CFBDRO Cc1cc2nc(O[C@@H](C)C[N+](C)(C)C)[nH]c2cc1C ZINC001227237414 776151276 /nfs/dbraw/zinc/15/12/76/776151276.db2.gz CNRKHSDLAYAXSB-LBPRGKRZSA-N 1 0 262.377 2.653 20 5 CFBDRO COc1cc(Cl)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227897597 776321728 /nfs/dbraw/zinc/32/17/28/776321728.db2.gz WOLMQKURJWKVSO-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228000420 776356191 /nfs/dbraw/zinc/35/61/91/776356191.db2.gz KTZHFXMUWQXMFE-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015649 776363904 /nfs/dbraw/zinc/36/39/04/776363904.db2.gz GLHSEQBSVLQROP-SNVBAGLBSA-N 1 0 286.278 2.736 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228016303 776364248 /nfs/dbraw/zinc/36/42/48/776364248.db2.gz DBUZJXYJPJKDLE-SNVBAGLBSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC001228138628 776407159 /nfs/dbraw/zinc/40/71/59/776407159.db2.gz MUPMKPIGUQXKEG-NSHDSACASA-N 1 0 290.343 2.617 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001228209395 776422599 /nfs/dbraw/zinc/42/25/99/776422599.db2.gz PGRGBGLLYZXESZ-MRVPVSSYSA-N 1 0 281.337 2.533 20 5 CFBDRO C[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001228209184 776422612 /nfs/dbraw/zinc/42/26/12/776422612.db2.gz LEJLMVISRKQBAR-UHFFFAOYSA-N 1 0 293.348 2.678 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228609936 776538214 /nfs/dbraw/zinc/53/82/14/776538214.db2.gz JIZJZAJMXFOYRU-JTQLQIEISA-N 1 0 286.278 2.736 20 5 CFBDRO C[NH+]1CCC(Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229005007 776685700 /nfs/dbraw/zinc/68/57/00/776685700.db2.gz BRJORFBAVFVADF-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](CC)C1 ZINC001229176649 776743964 /nfs/dbraw/zinc/74/39/64/776743964.db2.gz AUWNGDBARYIYHL-GFCCVEGCSA-N 1 0 292.335 2.661 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H](C)C[N+](C)(C)C ZINC001229201185 776751201 /nfs/dbraw/zinc/75/12/01/776751201.db2.gz KYTXEWBJXWUDJN-SNVBAGLBSA-N 1 0 271.312 2.516 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc2scnc21 ZINC001229280338 776770108 /nfs/dbraw/zinc/77/01/08/776770108.db2.gz BKYSEBAWODELES-SECBINFHSA-N 1 0 269.365 2.909 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229382125 776797209 /nfs/dbraw/zinc/79/72/09/776797209.db2.gz ZNYABKHYPCZDHM-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001229395965 776799541 /nfs/dbraw/zinc/79/95/41/776799541.db2.gz OCACTVCSYUBXQA-UHFFFAOYSA-N 1 0 280.324 2.552 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001229396664 776799678 /nfs/dbraw/zinc/79/96/78/776799678.db2.gz VRKJOSGJZYQREJ-UHFFFAOYSA-N 1 0 280.324 2.552 20 5 CFBDRO Cc1cc(OC2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229466664 776821639 /nfs/dbraw/zinc/82/16/39/776821639.db2.gz UERKAWYKSAXIGL-UHFFFAOYSA-N 1 0 264.325 2.685 20 5 CFBDRO COC(=O)c1c(Cl)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001229841122 776901971 /nfs/dbraw/zinc/90/19/71/776901971.db2.gz HZFJAKCLCBNFBV-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H](C)C[NH+](C)C ZINC001229881743 776909326 /nfs/dbraw/zinc/90/93/26/776909326.db2.gz HOWRBUXETMCLHL-VIFPVBQESA-N 1 0 252.314 2.541 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229881982 776909930 /nfs/dbraw/zinc/90/99/30/776909930.db2.gz JMPSYDLWIUXKLH-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncccc2c1F ZINC001230668132 777038668 /nfs/dbraw/zinc/03/86/68/777038668.db2.gz AIOXZYXCPDNUFN-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO CC(C)C1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000710634132 777089918 /nfs/dbraw/zinc/08/99/18/777089918.db2.gz FUWNJGOXASJMTO-UHFFFAOYSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2c(ccc(F)c2F)c1 ZINC001231153938 777159218 /nfs/dbraw/zinc/15/92/18/777159218.db2.gz PHEYYNQMJAXBGY-SNVBAGLBSA-N 1 0 281.326 2.987 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000713924108 777878767 /nfs/dbraw/zinc/87/87/67/777878767.db2.gz JAZWOLLFWGTPLV-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000300529408 777997336 /nfs/dbraw/zinc/99/73/36/777997336.db2.gz KMHUSUVOIYRWTK-SSDOTTSWSA-N 1 0 275.711 2.655 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233598395 778006328 /nfs/dbraw/zinc/00/63/28/778006328.db2.gz ZZLQWVMPOJOPPA-SECBINFHSA-N 1 0 286.278 2.735 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698278 778044286 /nfs/dbraw/zinc/04/42/86/778044286.db2.gz HUSYVRHLLWJUDF-JTQLQIEISA-N 1 0 286.278 2.736 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233716681 778051256 /nfs/dbraw/zinc/05/12/56/778051256.db2.gz PLRCOQFWIUNWSY-JTQLQIEISA-N 1 0 285.731 2.505 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233714208 778051573 /nfs/dbraw/zinc/05/15/73/778051573.db2.gz ZTGIGXJGULCCBT-SNVBAGLBSA-N 1 0 285.731 2.506 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233716003 778052031 /nfs/dbraw/zinc/05/20/31/778052031.db2.gz LEIOHJAWCNCRTR-LLVKDONJSA-N 1 0 299.758 2.895 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)cnc1[N+](=O)[O-] ZINC001233712416 778052541 /nfs/dbraw/zinc/05/25/41/778052541.db2.gz GUMNBFBFOKOKCT-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233770897 778072821 /nfs/dbraw/zinc/07/28/21/778072821.db2.gz RZGLUZONOWJNHE-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233836108 778092408 /nfs/dbraw/zinc/09/24/08/778092408.db2.gz IBEYMJWVRYZLKS-LBPRGKRZSA-N 1 0 287.319 2.616 20 5 CFBDRO COc1c(Cl)ccc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001234325121 778208611 /nfs/dbraw/zinc/20/86/11/778208611.db2.gz QRYUPUXNRDFDEF-SECBINFHSA-N 1 0 276.759 2.961 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@H]1C[NH+]2CCC1CC2 ZINC001234675345 778286353 /nfs/dbraw/zinc/28/63/53/778286353.db2.gz ZQEVBMAKQGESBX-HNNXBMFYSA-N 1 0 299.330 2.616 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC001234851413 778310521 /nfs/dbraw/zinc/31/05/21/778310521.db2.gz JJPUPYVSANTUMR-CHWSQXEVSA-N 1 0 291.415 2.630 20 5 CFBDRO COC(=O)c1ccc([C@H](C)O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001223756177 778341283 /nfs/dbraw/zinc/34/12/83/778341283.db2.gz WAUWEHOYNVMIAL-STQMWFEESA-N 1 0 280.388 2.646 20 5 CFBDRO CC(C)[NH+]1CC(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001168315456 778426458 /nfs/dbraw/zinc/42/64/58/778426458.db2.gz PKYXZPFZKLKCQW-UHFFFAOYSA-N 1 0 274.324 2.581 20 5 CFBDRO CC(C)OCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000160187288 778596697 /nfs/dbraw/zinc/59/66/97/778596697.db2.gz ULSXSCUKXVBDIF-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO COC(=O)c1ccc([C@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224619140 778602081 /nfs/dbraw/zinc/60/20/81/778602081.db2.gz MDCAMQYZJGEIMP-ZDUSSCGKSA-N 1 0 280.388 2.647 20 5 CFBDRO CC(C)Oc1ncc(Cl)cc1COCC[N+](C)(C)C ZINC001224774826 778680969 /nfs/dbraw/zinc/68/09/69/778680969.db2.gz YJUVRBSOMCCQFH-UHFFFAOYSA-N 1 0 287.811 2.745 20 5 CFBDRO CC(C)C1(C(C)C)OC[C@@H](CCOCC[N+](C)(C)C)O1 ZINC001224775569 778681545 /nfs/dbraw/zinc/68/15/45/778681545.db2.gz MQJGQUJTWOCZGK-OAHLLOKOSA-N 1 0 288.452 2.523 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000698296028 778797229 /nfs/dbraw/zinc/79/72/29/778797229.db2.gz USYCVWLPPDNAQZ-UHFFFAOYSA-N 1 0 273.283 2.942 20 5 CFBDRO C[C@H]([NH3+])CN(C)Cc1ccc2ccc3cccnc3c2n1 ZINC001236904094 778979145 /nfs/dbraw/zinc/97/91/45/778979145.db2.gz KHAAIUKCSOIRPO-LBPRGKRZSA-N 1 0 280.375 2.562 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000699549908 779295737 /nfs/dbraw/zinc/29/57/37/779295737.db2.gz XRPWNZMTOPWIJX-WDMOLILDSA-N 1 0 264.325 2.670 20 5 CFBDRO CCC1(Nc2nccc3c2ccc(C)c3[N+](=O)[O-])C[NH2+]C1 ZINC001168579979 779996982 /nfs/dbraw/zinc/99/69/82/779996982.db2.gz FNOVAWSFRWSCEP-UHFFFAOYSA-N 1 0 286.335 2.615 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1CCCC[NH2+]C1 ZINC000700384415 780683511 /nfs/dbraw/zinc/68/35/11/780683511.db2.gz LNCBWXMAZZIZNT-SNVBAGLBSA-N 1 0 268.288 2.502 20 5 CFBDRO C[C@@H]1[NH2+]CC[C@H]1Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000700756926 780714501 /nfs/dbraw/zinc/71/45/01/780714501.db2.gz OHHJETOBVVELSF-IMTBSYHQSA-N 1 0 273.695 2.550 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC001229894758 781049160 /nfs/dbraw/zinc/04/91/60/781049160.db2.gz KNXDIDYQDDLLFA-SNVBAGLBSA-N 1 0 268.288 2.515 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCSC2)cc1 ZINC000704814641 781121215 /nfs/dbraw/zinc/12/12/15/781121215.db2.gz OCTVFYXCCHKRFH-LBPRGKRZSA-N 1 0 266.366 2.828 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000706398629 781171582 /nfs/dbraw/zinc/17/15/82/781171582.db2.gz JNZYVSOMKBLNBV-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710984586 781351192 /nfs/dbraw/zinc/35/11/92/781351192.db2.gz VEDGBHIACBUGOS-GYSYKLTISA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cs1 ZINC000711837636 781472785 /nfs/dbraw/zinc/47/27/85/781472785.db2.gz BGMQBFPSVFVLNQ-GXTWGEPZSA-N 1 0 296.392 2.951 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001118564660 781679432 /nfs/dbraw/zinc/67/94/32/781679432.db2.gz DMGZFLXHXAUOOA-UHFFFAOYSA-N 1 0 268.263 2.872 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594519869 349440149 /nfs/dbraw/zinc/44/01/49/349440149.db2.gz MEVZPXZSMGOBCZ-JKSUJKDBSA-N 1 0 289.379 2.701 20 5 CFBDRO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000594592580 349453786 /nfs/dbraw/zinc/45/37/86/349453786.db2.gz SELUUHGMKQOEFS-PHIMTYICSA-N 1 0 281.331 2.794 20 5 CFBDRO CCOc1cccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594592820 349454745 /nfs/dbraw/zinc/45/47/45/349454745.db2.gz YPOBVNXTMWJHDK-TXEJJXNPSA-N 1 0 293.367 2.746 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594599425 349457091 /nfs/dbraw/zinc/45/70/91/349457091.db2.gz JSAGKPDFFGSYOA-ZIAGYGMSSA-N 1 0 290.367 2.727 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000594936003 349517787 /nfs/dbraw/zinc/51/77/87/349517787.db2.gz RPVGSCBHEGKOHG-SDDRHHMPSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273056621 192032320 /nfs/dbraw/zinc/03/23/20/192032320.db2.gz LNMIWJQATQZFGL-HUUCEWRRSA-N 1 0 276.336 2.642 20 5 CFBDRO Cc1ccncc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594969072 349534659 /nfs/dbraw/zinc/53/46/59/349534659.db2.gz VUBPKKGZGFCEFC-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594969083 349535038 /nfs/dbraw/zinc/53/50/38/349535038.db2.gz MFXVBVVEDCLGPQ-MQMHXKEQSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000594985904 349538871 /nfs/dbraw/zinc/53/88/71/349538871.db2.gz PKPFLYDXJBSDSF-IUODEOHRSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000594983578 349538915 /nfs/dbraw/zinc/53/89/15/349538915.db2.gz FSRPGPVDUJMFSC-ZWNOBZJWSA-N 1 0 282.315 2.781 20 5 CFBDRO Cc1cncc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000594989646 349540116 /nfs/dbraw/zinc/54/01/16/349540116.db2.gz VEUQBFFEWLSKTJ-XQRVVYSFSA-N 1 0 298.346 2.539 20 5 CFBDRO CC1(C)[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000594991125 349541037 /nfs/dbraw/zinc/54/10/37/349541037.db2.gz DKGSFNUIZKXDQY-LLVKDONJSA-N 1 0 270.279 2.976 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000595007235 349546373 /nfs/dbraw/zinc/54/63/73/349546373.db2.gz KPGHGIMOLUFXPR-DGCLKSJQSA-N 1 0 294.351 2.823 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010339 349548607 /nfs/dbraw/zinc/54/86/07/349548607.db2.gz VZLDBVLJVOZIEH-MNOVXSKESA-N 1 0 282.340 2.537 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000595016041 349550918 /nfs/dbraw/zinc/55/09/18/349550918.db2.gz GKFREYOIINKKEN-GDLCADMTSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000595027805 349555493 /nfs/dbraw/zinc/55/54/93/349555493.db2.gz TXENCJLYISWYKV-SRVKXCTJSA-N 1 0 294.351 2.822 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2ccco2)c1 ZINC000594996917 349542687 /nfs/dbraw/zinc/54/26/87/349542687.db2.gz HAWMZPIMXXCZPA-UHFFFAOYSA-N 1 0 260.293 2.910 20 5 CFBDRO COC1CC(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595049765 349564007 /nfs/dbraw/zinc/56/40/07/349564007.db2.gz OLEQOAGRTAYXKJ-QOZQQMKHSA-N 1 0 290.363 2.987 20 5 CFBDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000595062250 349571248 /nfs/dbraw/zinc/57/12/48/349571248.db2.gz UQKQFUHGJOEQEM-GXTWGEPZSA-N 1 0 296.367 2.605 20 5 CFBDRO C[C@@H](CSCCF)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000595036928 349559257 /nfs/dbraw/zinc/55/92/57/349559257.db2.gz XLWQCMFTOXOVHY-NSHDSACASA-N 1 0 286.372 2.818 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CCCO ZINC000595042141 349560892 /nfs/dbraw/zinc/56/08/92/349560892.db2.gz PJBXQNSMJHPGEL-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CCCO ZINC000595042144 349561058 /nfs/dbraw/zinc/56/10/58/349561058.db2.gz PJBXQNSMJHPGEL-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(C)(C)CO ZINC000595041678 349561150 /nfs/dbraw/zinc/56/11/50/349561150.db2.gz NYRXCZUHWNNJPI-NSHDSACASA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092721 349579538 /nfs/dbraw/zinc/57/95/38/349579538.db2.gz ZRYJKWSSFBBTBK-BPNCWPANSA-N 1 0 276.336 2.549 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC000595101954 349582312 /nfs/dbraw/zinc/58/23/12/349582312.db2.gz GORPSGPMXPNQJR-IJLUTSLNSA-N 1 0 296.392 2.578 20 5 CFBDRO Cc1noc(C[N@H+](C)CC2CCCC2)c1[N+](=O)[O-] ZINC000595297069 349594878 /nfs/dbraw/zinc/59/48/78/349594878.db2.gz PJECLEQIIREEIJ-UHFFFAOYSA-N 1 0 253.302 2.513 20 5 CFBDRO CCC1(C)CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595300946 349597156 /nfs/dbraw/zinc/59/71/56/349597156.db2.gz GKPNFGFASXGRDI-UHFFFAOYSA-N 1 0 267.329 2.903 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595348604 349608552 /nfs/dbraw/zinc/60/85/52/349608552.db2.gz UEZFAHHKDILKJY-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO Cc1noc(CN2CC=C(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595392592 349615271 /nfs/dbraw/zinc/61/52/71/349615271.db2.gz IZTZICQFZNFZJX-UHFFFAOYSA-N 1 0 291.229 2.586 20 5 CFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000595391624 349615288 /nfs/dbraw/zinc/61/52/88/349615288.db2.gz OBAKZTABJBSUDJ-ZDUSSCGKSA-N 1 0 284.331 2.573 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174848448 529391853 /nfs/dbraw/zinc/39/18/53/529391853.db2.gz RGKRJRKDHAHVDM-VXGBXAGGSA-N 1 0 280.372 2.690 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595428261 349623602 /nfs/dbraw/zinc/62/36/02/349623602.db2.gz WUNYSUGOTVCKJA-SNVBAGLBSA-N 1 0 267.329 2.759 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595424130 349621833 /nfs/dbraw/zinc/62/18/33/349621833.db2.gz FPSRMTBWDYCLIJ-MVWJERBFSA-N 1 0 279.340 2.902 20 5 CFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000595428113 349623131 /nfs/dbraw/zinc/62/31/31/349623131.db2.gz LZRLGAZEIDJTPB-IUODEOHRSA-N 1 0 296.342 2.717 20 5 CFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442138 349628030 /nfs/dbraw/zinc/62/80/30/349628030.db2.gz REUTUEYTFWSZRT-PSASIEDQSA-N 1 0 253.302 2.512 20 5 CFBDRO CC(C)[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000068916447 346876375 /nfs/dbraw/zinc/87/63/75/346876375.db2.gz FISAHMSVZQKQKO-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO Cc1noc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595531847 349652249 /nfs/dbraw/zinc/65/22/49/349652249.db2.gz YTEQGNAOIUMGIA-ZANVPECISA-N 1 0 267.329 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000595534501 349653361 /nfs/dbraw/zinc/65/33/61/349653361.db2.gz VDDDQZGLANGJMY-UHFFFAOYSA-N 1 0 290.363 2.517 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC3(CCCC3)CC2)c1 ZINC000595641107 349686468 /nfs/dbraw/zinc/68/64/68/349686468.db2.gz BFMMOCCWFZDYTB-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595670682 349695492 /nfs/dbraw/zinc/69/54/92/349695492.db2.gz IFPCCFIVJYJFNP-TZMCWYRMSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595695330 349705962 /nfs/dbraw/zinc/70/59/62/349705962.db2.gz GSLGOCNUEMVJAM-JQWIXIFHSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595749824 349722396 /nfs/dbraw/zinc/72/23/96/349722396.db2.gz LMIPFOXQSOHBAI-IJLUTSLNSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595749098 349722549 /nfs/dbraw/zinc/72/25/49/349722549.db2.gz DLBUEBCLPSQMBM-MLGOLLRUSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595749825 349722626 /nfs/dbraw/zinc/72/26/26/349722626.db2.gz LMIPFOXQSOHBAI-OZTPJHRESA-N 1 0 278.352 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595830790 349744320 /nfs/dbraw/zinc/74/43/20/349744320.db2.gz LVMOYXGGCMCEKV-MJBXVCDLSA-N 1 0 290.363 2.933 20 5 CFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000595765088 349727243 /nfs/dbraw/zinc/72/72/43/349727243.db2.gz GXVLTUPRYLQGSC-NSHDSACASA-N 1 0 274.324 2.749 20 5 CFBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414520986 529583501 /nfs/dbraw/zinc/58/35/01/529583501.db2.gz DOTOWIXJHBERRR-RXQWTSATSA-N 1 0 292.379 2.993 20 5 CFBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414520984 529583523 /nfs/dbraw/zinc/58/35/23/529583523.db2.gz DOTOWIXJHBERRR-CMWWXKBXSA-N 1 0 292.379 2.993 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000595894983 349762977 /nfs/dbraw/zinc/76/29/77/349762977.db2.gz AAGDHBXXJBBXFM-UHFFFAOYSA-N 1 0 294.376 2.579 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2CC2CCC2)n1 ZINC000595869393 349757389 /nfs/dbraw/zinc/75/73/89/349757389.db2.gz ATTSDRAEQFPHRM-CQSZACIVSA-N 1 0 292.383 2.836 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000595872549 349758468 /nfs/dbraw/zinc/75/84/68/349758468.db2.gz VGWRPYGLNISQQR-AWEZNQCLSA-N 1 0 292.383 2.836 20 5 CFBDRO CCCN(C)CC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595872805 349758795 /nfs/dbraw/zinc/75/87/95/349758795.db2.gz HEBQJTTTYROHHU-UHFFFAOYSA-N 1 0 293.411 2.847 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(C)C ZINC000414522930 529629127 /nfs/dbraw/zinc/62/91/27/529629127.db2.gz GGXONWBDERVVBB-UONOGXRCSA-N 1 0 284.331 2.619 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[N@@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596091080 349792051 /nfs/dbraw/zinc/79/20/51/349792051.db2.gz HEICSYLHTGQANF-VIFPVBQESA-N 1 0 299.758 2.763 20 5 CFBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414529406 529636955 /nfs/dbraw/zinc/63/69/55/529636955.db2.gz PAQAWTJZZSKBEP-CMPLNLGQSA-N 1 0 272.370 2.541 20 5 CFBDRO CCn1nccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000596094806 349792669 /nfs/dbraw/zinc/79/26/69/349792669.db2.gz MGQDIKREGUGDND-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO CCn1nccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000596092421 349792825 /nfs/dbraw/zinc/79/28/25/349792825.db2.gz AAHRTDQZSRWWKO-AWEZNQCLSA-N 1 0 286.335 2.588 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCCF ZINC000596092141 349792865 /nfs/dbraw/zinc/79/28/65/349792865.db2.gz BAMXBDPVQNSTBA-LLVKDONJSA-N 1 0 270.304 2.540 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)C(C)C ZINC000072924473 346948661 /nfs/dbraw/zinc/94/86/61/346948661.db2.gz MOMNXLDNHVWTMI-HNNXBMFYSA-N 1 0 296.367 2.754 20 5 CFBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])s1 ZINC000596184780 349820933 /nfs/dbraw/zinc/82/09/33/349820933.db2.gz ISVOUTZDJGBORU-UHFFFAOYSA-N 1 0 267.354 2.639 20 5 CFBDRO CCOc1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301556102 136433454 /nfs/dbraw/zinc/43/34/54/136433454.db2.gz WPWDNSDFONCIQS-ZDUSSCGKSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596269615 349848529 /nfs/dbraw/zinc/84/85/29/349848529.db2.gz VNQYHTDPPBLQHP-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269616 349848935 /nfs/dbraw/zinc/84/89/35/349848935.db2.gz VNQYHTDPPBLQHP-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1cccnc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295074530 199332547 /nfs/dbraw/zinc/33/25/47/199332547.db2.gz RJJPVDVFKAIUFN-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000596307381 349857838 /nfs/dbraw/zinc/85/78/38/349857838.db2.gz LNISFADRROTOMZ-VIFPVBQESA-N 1 0 298.774 2.928 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000596306804 349858225 /nfs/dbraw/zinc/85/82/25/349858225.db2.gz IGYOVUNUEOIHOW-SECBINFHSA-N 1 0 269.370 2.941 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596325589 349864039 /nfs/dbraw/zinc/86/40/39/349864039.db2.gz BNYQDRUWRSNSBC-LBPRGKRZSA-N 1 0 263.341 2.880 20 5 CFBDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596431848 349901076 /nfs/dbraw/zinc/90/10/76/349901076.db2.gz NUAQGEAGQZCFKL-SNVBAGLBSA-N 1 0 269.320 2.794 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@@H](C)[NH+](C)C ZINC000596430903 349901499 /nfs/dbraw/zinc/90/14/99/349901499.db2.gz MBMWRCCRKYNGEL-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO CC(=O)c1cc(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596430922 349901224 /nfs/dbraw/zinc/90/12/24/349901224.db2.gz MDMQMYAFUSDGEQ-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO C[NH2+]CCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414860146 529971050 /nfs/dbraw/zinc/97/10/50/529971050.db2.gz OJQAXLIZRHYTRL-UHFFFAOYSA-N 1 0 289.335 2.554 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000596488649 349917970 /nfs/dbraw/zinc/91/79/70/349917970.db2.gz RZSUGVRQJPHZSJ-JTQLQIEISA-N 1 0 284.385 2.584 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000596488242 349917906 /nfs/dbraw/zinc/91/79/06/349917906.db2.gz PBQGQAHHMQSCOB-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000596518893 349928686 /nfs/dbraw/zinc/92/86/86/349928686.db2.gz YWZULSQBSLFSJO-CYBMUJFWSA-N 1 0 291.351 2.694 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596543354 349936828 /nfs/dbraw/zinc/93/68/28/349936828.db2.gz SBRLCEPPPZWHBP-UHFFFAOYSA-N 1 0 266.345 2.522 20 5 CFBDRO C[NH+](C)CCSCc1ccc([N+](=O)[O-])cc1F ZINC000157684573 232237846 /nfs/dbraw/zinc/23/78/46/232237846.db2.gz AASMUHCNPBELAQ-UHFFFAOYSA-N 1 0 258.318 2.529 20 5 CFBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596551641 349939347 /nfs/dbraw/zinc/93/93/47/349939347.db2.gz HPGCMYKEEAVUQF-AWEZNQCLSA-N 1 0 298.346 2.676 20 5 CFBDRO CN(Cc1csc([N+](=O)[O-])c1)CC1([NH+](C)C)CCC1 ZINC000186933065 232426452 /nfs/dbraw/zinc/42/64/52/232426452.db2.gz HVJUPUGWGNKTEY-UHFFFAOYSA-N 1 0 283.397 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCCCC1 ZINC000026155533 346264212 /nfs/dbraw/zinc/26/42/12/346264212.db2.gz NWZJNXQLGZCOGT-UHFFFAOYSA-N 1 0 291.351 2.718 20 5 CFBDRO CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026219099 346264272 /nfs/dbraw/zinc/26/42/72/346264272.db2.gz MOWIHCBKVAPMBG-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CCOc1cc(C[NH2+][C@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000295138877 199366595 /nfs/dbraw/zinc/36/65/95/199366595.db2.gz BXWGXGBKGDSGLW-AWEZNQCLSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CCCCO ZINC000295141757 199369341 /nfs/dbraw/zinc/36/93/41/199369341.db2.gz ZVQOWEDYGVCMGR-GFCCVEGCSA-N 1 0 266.341 2.544 20 5 CFBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000037058854 346326656 /nfs/dbraw/zinc/32/66/56/346326656.db2.gz JADSVDLKXGWTRV-LLVKDONJSA-N 1 0 263.341 2.737 20 5 CFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000042097486 346360195 /nfs/dbraw/zinc/36/01/95/346360195.db2.gz DLSBPJAQGIOPNX-UHFFFAOYSA-N 1 0 279.315 2.773 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000037988823 346336123 /nfs/dbraw/zinc/33/61/23/346336123.db2.gz BZPCJDFIQXTXQD-CYBMUJFWSA-N 1 0 264.325 2.562 20 5 CFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000046062917 346418654 /nfs/dbraw/zinc/41/86/54/346418654.db2.gz FHGHKTHJBPOLTJ-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOCC(F)(F)F)cc1 ZINC000047889620 346459843 /nfs/dbraw/zinc/45/98/43/346459843.db2.gz PMCQBKUXQLNQBK-UHFFFAOYSA-N 1 0 292.257 2.653 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C[NH2+]C ZINC000596655033 349969745 /nfs/dbraw/zinc/96/97/45/349969745.db2.gz SFEQDHHMOTYXIB-NEPJUHHUSA-N 1 0 297.424 2.663 20 5 CFBDRO Cc1c(C[N@H+](C[C@H]2CCOC2)C2CC2)cccc1[N+](=O)[O-] ZINC000051854314 346507394 /nfs/dbraw/zinc/50/73/94/346507394.db2.gz NDLCLFUAJSSNIK-CYBMUJFWSA-N 1 0 290.363 2.904 20 5 CFBDRO COC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075765678 347097585 /nfs/dbraw/zinc/09/75/85/347097585.db2.gz GWZLQPWCBZPJEQ-RYUDHWBXSA-N 1 0 264.325 2.624 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051159011 346500433 /nfs/dbraw/zinc/50/04/33/346500433.db2.gz HQUSSPMTNWTHDO-BETUJISGSA-N 1 0 278.352 2.952 20 5 CFBDRO CCOC(=O)CC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053420833 346546389 /nfs/dbraw/zinc/54/63/89/346546389.db2.gz XKHDETSJBRFRQF-LLVKDONJSA-N 1 0 280.324 2.541 20 5 CFBDRO Cc1csc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000060942058 346673887 /nfs/dbraw/zinc/67/38/87/346673887.db2.gz XVTQUQAZVKDYOI-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000060375282 346664169 /nfs/dbraw/zinc/66/41/69/346664169.db2.gz GBYBGKIRNDOOAR-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000057838369 346638696 /nfs/dbraw/zinc/63/86/96/346638696.db2.gz RHELZTAYUNDSPT-UHFFFAOYSA-N 1 0 281.331 2.701 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000064010116 346714036 /nfs/dbraw/zinc/71/40/36/346714036.db2.gz WIPNOKXPJMWZKQ-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075892212 347105879 /nfs/dbraw/zinc/10/58/79/347105879.db2.gz GMRTVQWXOCVQGO-PHIMTYICSA-N 1 0 266.366 2.921 20 5 CFBDRO COc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000076113868 347123593 /nfs/dbraw/zinc/12/35/93/347123593.db2.gz HOSOBOWJRJIVJC-QWRGUYRKSA-N 1 0 264.325 2.691 20 5 CFBDRO CC(C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067127002 346792902 /nfs/dbraw/zinc/79/29/02/346792902.db2.gz LECVFJPRIZLWQF-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCCC[C@@H]1C ZINC000076744668 347150931 /nfs/dbraw/zinc/15/09/31/347150931.db2.gz VCVMYVBXAYTRJQ-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO COc1cc(C[NH2+]CCCC2CC2)c([N+](=O)[O-])cc1OC ZINC000076767808 347151959 /nfs/dbraw/zinc/15/19/59/347151959.db2.gz OFAKQYIJLGOXPV-UHFFFAOYSA-N 1 0 294.351 2.892 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076800494 347155195 /nfs/dbraw/zinc/15/51/95/347155195.db2.gz YIIOHZFFFBVDAD-BETUJISGSA-N 1 0 292.383 2.770 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000076800542 347155438 /nfs/dbraw/zinc/15/54/38/347155438.db2.gz MZJXTXFTKOVSDT-STQMWFEESA-N 1 0 292.383 2.770 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CCC([NH+]2CCCC2)CC1 ZINC000076835848 347156963 /nfs/dbraw/zinc/15/69/63/347156963.db2.gz KHRXSBMFMLPWMZ-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000077468256 347193822 /nfs/dbraw/zinc/19/38/22/347193822.db2.gz KNCPQFZFYLAOOH-OAHLLOKOSA-N 1 0 286.331 2.808 20 5 CFBDRO Cc1ccnc(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000078455478 347253780 /nfs/dbraw/zinc/25/37/80/347253780.db2.gz SFDXYZHJCLNWCM-CYBMUJFWSA-N 1 0 292.383 2.609 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000078332805 347241913 /nfs/dbraw/zinc/24/19/13/347241913.db2.gz OOZUUUPPLRLYID-RISCZKNCSA-N 1 0 295.358 2.900 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000078526996 347259788 /nfs/dbraw/zinc/25/97/88/347259788.db2.gz IIJOEZCVZJFWRL-AWEZNQCLSA-N 1 0 290.367 2.666 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)nc1 ZINC000078526464 347260129 /nfs/dbraw/zinc/26/01/29/347260129.db2.gz JDBMKNJMABHIFN-CYBMUJFWSA-N 1 0 290.367 2.666 20 5 CFBDRO Cc1cnc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000078655698 347267375 /nfs/dbraw/zinc/26/73/75/347267375.db2.gz VUXOVHJUCPSUGY-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+](C)C ZINC000080531148 347364531 /nfs/dbraw/zinc/36/45/31/347364531.db2.gz KOJJCRLEPGKIEX-UHFFFAOYSA-N 1 0 295.383 2.741 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000080652874 347372565 /nfs/dbraw/zinc/37/25/65/347372565.db2.gz CVYDFJOUKRNQIQ-CQSZACIVSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083168337 347448876 /nfs/dbraw/zinc/44/88/76/347448876.db2.gz HFTJDKZFOFCFID-UHFFFAOYSA-N 1 0 261.281 2.720 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000084961547 347477000 /nfs/dbraw/zinc/47/70/00/347477000.db2.gz ZJKLGBCOZLFXBM-LLVKDONJSA-N 1 0 290.319 2.917 20 5 CFBDRO Cc1cc(NCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000090998075 347564622 /nfs/dbraw/zinc/56/46/22/347564622.db2.gz BYAAKWLRJSLVFO-UHFFFAOYSA-N 1 0 257.721 2.530 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000091478061 347589388 /nfs/dbraw/zinc/58/93/88/347589388.db2.gz FCCVDFOBMGEFBW-UHFFFAOYSA-N 1 0 251.330 2.737 20 5 CFBDRO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000091484282 347590725 /nfs/dbraw/zinc/59/07/25/347590725.db2.gz OKHPIOWYHBZYJW-FZMZJTMJSA-N 1 0 263.341 2.514 20 5 CFBDRO CC(C)c1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093481537 347676261 /nfs/dbraw/zinc/67/62/61/347676261.db2.gz YKJMAVJSJGLYBW-GFCCVEGCSA-N 1 0 280.368 2.921 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482470 347676314 /nfs/dbraw/zinc/67/63/14/347676314.db2.gz SUDPMHIEEOMRRU-OCCSQVGLSA-N 1 0 278.352 2.639 20 5 CFBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094088618 347690763 /nfs/dbraw/zinc/69/07/63/347690763.db2.gz REYSZNBAXPNIDQ-HNNXBMFYSA-N 1 0 283.331 2.954 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122239767 347815622 /nfs/dbraw/zinc/81/56/22/347815622.db2.gz XZHBMOJSXWEGBR-LLVKDONJSA-N 1 0 266.341 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122863958 347816866 /nfs/dbraw/zinc/81/68/66/347816866.db2.gz POBSZOAHIJUSJP-VXGBXAGGSA-N 1 0 275.352 2.940 20 5 CFBDRO C[C@@H]1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000122956071 347817800 /nfs/dbraw/zinc/81/78/00/347817800.db2.gz ULTCVWDPHDJYNK-GHMZBOCLSA-N 1 0 264.325 2.640 20 5 CFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000124512901 347824221 /nfs/dbraw/zinc/82/42/21/347824221.db2.gz XSYPZJHLBUKAAG-SKDRFNHKSA-N 1 0 283.759 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)c(F)c1 ZINC000134493885 347898955 /nfs/dbraw/zinc/89/89/55/347898955.db2.gz YIXKLVIQYYPMAY-UHFFFAOYSA-N 1 0 268.288 2.502 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000142084632 347932701 /nfs/dbraw/zinc/93/27/01/347932701.db2.gz GCHBKVFPNWCQGP-SRVKXCTJSA-N 1 0 293.367 2.946 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000086682621 179320290 /nfs/dbraw/zinc/32/02/90/179320290.db2.gz QHVVCLMKLVAKEU-FZMZJTMJSA-N 1 0 266.341 2.916 20 5 CFBDRO CCCn1nccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000160113862 348015870 /nfs/dbraw/zinc/01/58/70/348015870.db2.gz QQPOTPKIVHTZDK-UHFFFAOYSA-N 1 0 288.351 2.534 20 5 CFBDRO CC(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168961956 348049692 /nfs/dbraw/zinc/04/96/92/348049692.db2.gz TVVXFAGKVJRZBZ-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000227459953 348186603 /nfs/dbraw/zinc/18/66/03/348186603.db2.gz MOKYLWWNGFTNSB-UHFFFAOYSA-N 1 0 286.331 2.685 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000255717298 348304658 /nfs/dbraw/zinc/30/46/58/348304658.db2.gz TURIOSLORXADKC-NQKGEVNLSA-N 1 0 274.320 2.518 20 5 CFBDRO Cc1cccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000280541875 348341067 /nfs/dbraw/zinc/34/10/67/348341067.db2.gz JGAOWMVWRFKJEE-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC(F)(F)C2)cs1 ZINC000310365062 348409632 /nfs/dbraw/zinc/40/96/32/348409632.db2.gz VSKJLGBTLGXDOD-QMMMGPOBSA-N 1 0 262.281 2.934 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000310995897 348411801 /nfs/dbraw/zinc/41/18/01/348411801.db2.gz UFVFLVHQFILTBR-JTQLQIEISA-N 1 0 256.252 2.872 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000311020925 348411845 /nfs/dbraw/zinc/41/18/45/348411845.db2.gz ZCCKXJQEVRHWKQ-JTQLQIEISA-N 1 0 256.252 2.872 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000311801732 348414499 /nfs/dbraw/zinc/41/44/99/348414499.db2.gz BQHFBYROLLQEKZ-ONGXEEELSA-N 1 0 282.365 2.587 20 5 CFBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000312796973 348420151 /nfs/dbraw/zinc/42/01/51/348420151.db2.gz QJGLFCTVMMEYAY-GHMZBOCLSA-N 1 0 296.758 2.682 20 5 CFBDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389798 348440633 /nfs/dbraw/zinc/44/06/33/348440633.db2.gz XNROHDRYFHBZBL-JSGCOSHPSA-N 1 0 277.368 2.730 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COCc3ccccc32)cc1 ZINC000318537886 348434072 /nfs/dbraw/zinc/43/40/72/348434072.db2.gz KRSZWDCHNPWOPR-QGZVFWFLSA-N 1 0 298.342 2.998 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000320401312 348436979 /nfs/dbraw/zinc/43/69/79/348436979.db2.gz ZFSWWDVTVKKUAJ-LLVKDONJSA-N 1 0 294.351 2.662 20 5 CFBDRO CCC[N@@H+]1CC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328190781 348440927 /nfs/dbraw/zinc/44/09/27/348440927.db2.gz PIMJMECDMXWNQD-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO COc1cc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1C ZINC000314663891 348427046 /nfs/dbraw/zinc/42/70/46/348427046.db2.gz PAZQXHDVIASTDV-GFCCVEGCSA-N 1 0 293.367 2.666 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402254404 348581700 /nfs/dbraw/zinc/58/17/00/348581700.db2.gz AQQGKJZRHRHNMJ-JKOKRWQUSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404374371 348591486 /nfs/dbraw/zinc/59/14/86/348591486.db2.gz RRRVQPCWLCNDTA-ONGXEEELSA-N 1 0 298.774 2.597 20 5 CFBDRO Cc1ccc(C[N@H+](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000271006432 190904012 /nfs/dbraw/zinc/90/40/12/190904012.db2.gz NMMJDUBDYWRSNP-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273468890 192164636 /nfs/dbraw/zinc/16/46/36/192164636.db2.gz RSNYZWGHTWVULC-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073607 348770719 /nfs/dbraw/zinc/77/07/19/348770719.db2.gz MFAUVGRJCSKHOL-ZACCUICWSA-N 1 0 281.381 2.718 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495960 348835788 /nfs/dbraw/zinc/83/57/88/348835788.db2.gz RMGCLRJOWXNQEX-LLVKDONJSA-N 1 0 294.351 2.859 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000589501621 348836095 /nfs/dbraw/zinc/83/60/95/348836095.db2.gz TUKWAWOHPCIQAL-QWRGUYRKSA-N 1 0 292.335 2.612 20 5 CFBDRO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCC1 ZINC000589501849 348837253 /nfs/dbraw/zinc/83/72/53/348837253.db2.gz GMYHXYRMZOZOCX-UHFFFAOYSA-N 1 0 292.335 2.756 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000589584268 348839372 /nfs/dbraw/zinc/83/93/72/348839372.db2.gz OAPIZDUTVZRNKS-IUCAKERBSA-N 1 0 267.354 2.693 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[C@@H]2F)n1 ZINC000590263987 348887974 /nfs/dbraw/zinc/88/79/74/348887974.db2.gz GQZXLDARYFLRLY-LOWDOPEQSA-N 1 0 296.346 2.755 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000590646894 348920144 /nfs/dbraw/zinc/92/01/44/348920144.db2.gz VBCCJAAVXPCIJT-KBPBESRZSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000590646036 348920247 /nfs/dbraw/zinc/92/02/47/348920247.db2.gz ODEFISQESXTGNW-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000590970292 348974302 /nfs/dbraw/zinc/97/43/02/348974302.db2.gz IBIHHTLPXZSPFU-GJZGRUSLSA-N 1 0 288.347 2.596 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591451250 349023242 /nfs/dbraw/zinc/02/32/42/349023242.db2.gz VWEQSUXDJPCNIF-CJNGLKHVSA-N 1 0 289.379 2.731 20 5 CFBDRO Cc1c([C@H](C)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591577819 349030675 /nfs/dbraw/zinc/03/06/75/349030675.db2.gz IDCJFSIDNZGNNA-QWHCGFSZSA-N 1 0 277.368 2.696 20 5 CFBDRO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582663 349032713 /nfs/dbraw/zinc/03/27/13/349032713.db2.gz SRBHKPSBYIQQBI-JSGCOSHPSA-N 1 0 289.379 2.920 20 5 CFBDRO C[N@H+](CCC[C@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000592059060 349077714 /nfs/dbraw/zinc/07/77/14/349077714.db2.gz MOEJBPUEVLNWGY-ZDUSSCGKSA-N 1 0 278.352 2.843 20 5 CFBDRO CCc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356720 349107716 /nfs/dbraw/zinc/10/77/16/349107716.db2.gz GNZWNNTZQFRIKZ-LLVKDONJSA-N 1 0 288.307 2.632 20 5 CFBDRO O=[N+]([O-])c1cc(CSCC2CC[NH2+]CC2)cs1 ZINC000592174623 349094963 /nfs/dbraw/zinc/09/49/63/349094963.db2.gz TXKJOEWEMYLTRE-UHFFFAOYSA-N 1 0 272.395 2.889 20 5 CFBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182146 349095959 /nfs/dbraw/zinc/09/59/59/349095959.db2.gz KEYHXIBCOCVOKO-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000592366886 349110763 /nfs/dbraw/zinc/11/07/63/349110763.db2.gz FRKCKVPBHUCWDO-SKDRFNHKSA-N 1 0 284.743 2.558 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592372809 349111433 /nfs/dbraw/zinc/11/14/33/349111433.db2.gz RHSDVSKXXUXQMM-VIFPVBQESA-N 1 0 258.268 2.976 20 5 CFBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000592432456 349118374 /nfs/dbraw/zinc/11/83/74/349118374.db2.gz KBRXKTFSGMHADC-CQSZACIVSA-N 1 0 297.786 2.678 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000271156506 190967700 /nfs/dbraw/zinc/96/77/00/190967700.db2.gz RGIFZFDCGNNNID-RYUDHWBXSA-N 1 0 294.351 2.681 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414204960 233196274 /nfs/dbraw/zinc/19/62/74/233196274.db2.gz OSQVVESULWGAOL-VXGBXAGGSA-N 1 0 266.341 2.918 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC23CCCC3)cc1 ZINC000593040659 349192018 /nfs/dbraw/zinc/19/20/18/349192018.db2.gz XVXGPUYFJOIGLW-UHFFFAOYSA-N 1 0 276.336 2.992 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593017825 349187824 /nfs/dbraw/zinc/18/78/24/349187824.db2.gz BQJPRNJIJWJFFM-QWRGUYRKSA-N 1 0 294.351 2.906 20 5 CFBDRO Cc1cncc(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000593021995 349188663 /nfs/dbraw/zinc/18/86/63/349188663.db2.gz SFQZVPIOIXPTCJ-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000593517993 349288583 /nfs/dbraw/zinc/28/85/83/349288583.db2.gz WMNCJHGMMXSSNS-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO CC(C)C[N@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000593647009 349303614 /nfs/dbraw/zinc/30/36/14/349303614.db2.gz VCAHWZMRAFGCHX-UHFFFAOYSA-N 1 0 297.374 2.801 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cs1 ZINC000593669184 349307738 /nfs/dbraw/zinc/30/77/38/349307738.db2.gz WCIXFKAYBNKXNA-AWEZNQCLSA-N 1 0 296.392 2.951 20 5 CFBDRO Cc1ccc(C[NH+]2CCC([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593677187 349308743 /nfs/dbraw/zinc/30/87/43/349308743.db2.gz TXVWSEINCFQUAG-ZDUSSCGKSA-N 1 0 292.379 2.744 20 5 CFBDRO CSCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594491176 349428441 /nfs/dbraw/zinc/42/84/41/349428441.db2.gz YHYLHRPOZRSSIY-LLVKDONJSA-N 1 0 252.339 2.535 20 5 CFBDRO CN(C)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594500348 349432300 /nfs/dbraw/zinc/43/23/00/349432300.db2.gz PDPNNVWXZMFSQX-CQSZACIVSA-N 1 0 289.379 2.656 20 5 CFBDRO Cc1cnc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000090692080 180024298 /nfs/dbraw/zinc/02/42/98/180024298.db2.gz MBHYDYNVKHDUPC-ZDUSSCGKSA-N 1 0 292.383 2.832 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000414518921 233279928 /nfs/dbraw/zinc/27/99/28/233279928.db2.gz ADQRZYMCGIIQNC-GFCCVEGCSA-N 1 0 278.352 2.950 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000414525530 233282178 /nfs/dbraw/zinc/28/21/78/233282178.db2.gz MMTIFTADMKSVFG-LBPRGKRZSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000104687535 186014380 /nfs/dbraw/zinc/01/43/80/186014380.db2.gz WQXOINOZJGKHGU-SNVBAGLBSA-N 1 0 252.314 2.834 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1cnccn1 ZINC000271324417 191074759 /nfs/dbraw/zinc/07/47/59/191074759.db2.gz KMJMYTNNFZEIFP-LBPRGKRZSA-N 1 0 286.335 2.620 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598647431 350301406 /nfs/dbraw/zinc/30/14/06/350301406.db2.gz MCSHYCQYSYKQRJ-JTQLQIEISA-N 1 0 286.278 2.738 20 5 CFBDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598649294 350302591 /nfs/dbraw/zinc/30/25/91/350302591.db2.gz SXTNHJDYPWOWOR-CQSZACIVSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1c(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979180 350353185 /nfs/dbraw/zinc/35/31/85/350353185.db2.gz ZEOLHPTYPWTLBK-CQSZACIVSA-N 1 0 291.395 2.866 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000598989921 350355024 /nfs/dbraw/zinc/35/50/24/350355024.db2.gz WCBVNPWNBQCSRZ-KRWDZBQOSA-N 1 0 298.342 2.826 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000598991221 350355437 /nfs/dbraw/zinc/35/54/37/350355437.db2.gz MDTVPKJCHALUDE-GFCCVEGCSA-N 1 0 284.331 2.621 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000598991187 350355690 /nfs/dbraw/zinc/35/56/90/350355690.db2.gz LXHTWZRPLLMHQN-CQSZACIVSA-N 1 0 280.368 2.790 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598991197 350355783 /nfs/dbraw/zinc/35/57/83/350355783.db2.gz MAMADKCPLBBMSV-NSHDSACASA-N 1 0 272.370 2.543 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000598996057 350356808 /nfs/dbraw/zinc/35/68/08/350356808.db2.gz AMQCWLMVJKSTNN-KGLIPLIRSA-N 1 0 264.325 2.560 20 5 CFBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000415044920 233445553 /nfs/dbraw/zinc/44/55/53/233445553.db2.gz CDEIXNHBCLPNSR-AWEZNQCLSA-N 1 0 297.786 2.855 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000599083966 350373335 /nfs/dbraw/zinc/37/33/35/350373335.db2.gz NVJQRMFPLKLZKX-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO C[C@@H]1[C@@H](C)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599087098 350374054 /nfs/dbraw/zinc/37/40/54/350374054.db2.gz TWFINIUWLZVJKB-VHSXEESVSA-N 1 0 257.293 2.988 20 5 CFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000599165234 350387450 /nfs/dbraw/zinc/38/74/50/350387450.db2.gz OIKSOPVZNTWVNN-LLVKDONJSA-N 1 0 294.330 2.558 20 5 CFBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599166729 350388079 /nfs/dbraw/zinc/38/80/79/350388079.db2.gz ZFDDQJFWVLXRMS-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1noc(CN2CCCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000599553309 350455612 /nfs/dbraw/zinc/45/56/12/350455612.db2.gz ZICKJQSTXNHVCC-UHFFFAOYSA-N 1 0 275.255 2.512 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000106868391 186143543 /nfs/dbraw/zinc/14/35/43/186143543.db2.gz PIUJFWSRZSJOKF-HUUCEWRRSA-N 1 0 289.379 2.620 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626545 350467081 /nfs/dbraw/zinc/46/70/81/350467081.db2.gz RBQSSTBUFLBIAF-OZWUEAAUSA-N 1 0 294.351 2.505 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000599627796 350467117 /nfs/dbraw/zinc/46/71/17/350467117.db2.gz ZHWGYKSPFPTMQI-LFNDISMMSA-N 1 0 282.315 2.635 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626086 350467288 /nfs/dbraw/zinc/46/72/88/350467288.db2.gz TVAKGXYMLQIKNZ-LMCGPQHNSA-N 1 0 294.351 2.505 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599673122 350478639 /nfs/dbraw/zinc/47/86/39/350478639.db2.gz KOJZLZQBDAXUDT-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO Cc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000600157622 350523578 /nfs/dbraw/zinc/52/35/78/350523578.db2.gz YOFXLRMXWXMPGE-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747026 350605722 /nfs/dbraw/zinc/60/57/22/350605722.db2.gz VWTPBXFUAOVHFI-WQVCFCJDSA-N 1 0 289.379 2.587 20 5 CFBDRO CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600710681 350599071 /nfs/dbraw/zinc/59/90/71/350599071.db2.gz RWCCOINODFSYND-CABCVRRESA-N 1 0 289.379 2.920 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000600709226 350599262 /nfs/dbraw/zinc/59/92/62/350599262.db2.gz GLFBKPRKOCEYSP-HRCADAONSA-N 1 0 289.379 2.702 20 5 CFBDRO C[C@H]([NH2+]CCc1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000108942071 186236408 /nfs/dbraw/zinc/23/64/08/186236408.db2.gz RKMDCIMZNPKPHA-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000600881676 350622937 /nfs/dbraw/zinc/62/29/37/350622937.db2.gz YRIPAJXOYPACOB-SECBINFHSA-N 1 0 278.337 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc([C@H]3C[NH2+]CCO3)c2)cc1 ZINC000600786775 350611175 /nfs/dbraw/zinc/61/11/75/350611175.db2.gz SOQHKADDAPYDBF-MRXNPFEDSA-N 1 0 284.315 2.923 20 5 CFBDRO Cc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC000600792533 350613588 /nfs/dbraw/zinc/61/35/88/350613588.db2.gz ZGOZAAIINFADMI-UHFFFAOYSA-N 1 0 297.358 2.980 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109811273 186275163 /nfs/dbraw/zinc/27/51/63/186275163.db2.gz SHBHEOWWYUFXMB-DOMZBBRYSA-N 1 0 277.368 2.682 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601109589 350670610 /nfs/dbraw/zinc/67/06/10/350670610.db2.gz XBJWWRILILBZBB-LLVKDONJSA-N 1 0 296.346 2.661 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601109590 350670788 /nfs/dbraw/zinc/67/07/88/350670788.db2.gz XBJWWRILILBZBB-NSHDSACASA-N 1 0 296.346 2.661 20 5 CFBDRO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000601116041 350672103 /nfs/dbraw/zinc/67/21/03/350672103.db2.gz MZVRDDOASBLEMD-SNVBAGLBSA-N 1 0 267.354 2.553 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000601229395 350704088 /nfs/dbraw/zinc/70/40/88/350704088.db2.gz OGMLLGVBKONHPR-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO CCOc1cc(NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111048893 186348468 /nfs/dbraw/zinc/34/84/68/186348468.db2.gz SNMIUBMYIMZLSF-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO CCC[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000601139896 350679736 /nfs/dbraw/zinc/67/97/36/350679736.db2.gz NJVHDVHEUKXBSW-CYBMUJFWSA-N 1 0 296.367 2.634 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601165760 350685792 /nfs/dbraw/zinc/68/57/92/350685792.db2.gz GJESVHDFUBQCIP-UHFFFAOYSA-N 1 0 281.381 2.578 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccccc1[N+](=O)[O-] ZINC000601191838 350692988 /nfs/dbraw/zinc/69/29/88/350692988.db2.gz OOTVSLMEJKHMGI-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601289712 350717630 /nfs/dbraw/zinc/71/76/30/350717630.db2.gz QSIOBDBOTUTYPF-DGCLKSJQSA-N 1 0 266.341 2.797 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601289714 350717911 /nfs/dbraw/zinc/71/79/11/350717911.db2.gz QSIOBDBOTUTYPF-YPMHNXCESA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](CO)C1)CCCC2 ZINC000601291091 350718419 /nfs/dbraw/zinc/71/84/19/350718419.db2.gz GFFDXLRPDZAJGT-PVXIVEMSSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601301129 350720206 /nfs/dbraw/zinc/72/02/06/350720206.db2.gz RRRSRCRWRYWIAL-LAEOZQHASA-N 1 0 292.257 2.557 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCCC[C@H]([NH3+])C1 ZINC000601324908 350724416 /nfs/dbraw/zinc/72/44/16/350724416.db2.gz PXSHPTDNAOAZLV-STQMWFEESA-N 1 0 277.368 2.859 20 5 CFBDRO CC1(C)C[NH2+]CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000601972766 350821623 /nfs/dbraw/zinc/82/16/23/350821623.db2.gz OYAVOHXJMOBTOO-LLVKDONJSA-N 1 0 283.397 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC1CCC1 ZINC000111298178 186391539 /nfs/dbraw/zinc/39/15/39/186391539.db2.gz PAOFXWRYWPCGML-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602547324 350920250 /nfs/dbraw/zinc/92/02/50/350920250.db2.gz WWWBHUIOAAJFMF-WFASDCNBSA-N 1 0 280.368 2.524 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602580459 350932737 /nfs/dbraw/zinc/93/27/37/350932737.db2.gz NCDBLWKQQKDUOW-SWLSCSKDSA-N 1 0 280.368 2.788 20 5 CFBDRO CO[C@](C)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602581650 350933281 /nfs/dbraw/zinc/93/32/81/350933281.db2.gz YJUFGVXUIQXRNM-OAHLLOKOSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCC2CCOCC2)c1 ZINC000602580879 350933991 /nfs/dbraw/zinc/93/39/91/350933991.db2.gz PNJLFAHUOBZKHJ-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602436040 350881664 /nfs/dbraw/zinc/88/16/64/350881664.db2.gz UITUXHXQLPTIST-CQSZACIVSA-N 1 0 286.335 2.665 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602444265 350886057 /nfs/dbraw/zinc/88/60/57/350886057.db2.gz DOVPOPMQYLMRPN-BNOWGMLFSA-N 1 0 292.383 2.729 20 5 CFBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602657178 350963720 /nfs/dbraw/zinc/96/37/20/350963720.db2.gz XKDJCDGYUOWSBY-WPRPVWTQSA-N 1 0 261.281 2.624 20 5 CFBDRO C[C@@H](F)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673985 350971420 /nfs/dbraw/zinc/97/14/20/350971420.db2.gz AYSSVSISBWOMSS-MRVPVSSYSA-N 1 0 267.260 2.574 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3=CCCC3)nc2c1 ZINC000602718274 350997653 /nfs/dbraw/zinc/99/76/53/350997653.db2.gz MCMITWQPLGIAMW-UHFFFAOYSA-N 1 0 273.292 2.936 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000112096918 186469770 /nfs/dbraw/zinc/46/97/70/186469770.db2.gz WLAWTLZOQHPGHR-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO CO[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602624476 350950685 /nfs/dbraw/zinc/95/06/85/350950685.db2.gz BPPFNKBBGTTWPC-QMMMGPOBSA-N 1 0 292.257 2.738 20 5 CFBDRO CCC(CC)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771715 351020329 /nfs/dbraw/zinc/02/03/29/351020329.db2.gz LVANSSSRRKHOTR-UHFFFAOYSA-N 1 0 280.372 2.753 20 5 CFBDRO C[C@H]1OCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796778 351029334 /nfs/dbraw/zinc/02/93/34/351029334.db2.gz FTFNBHHPAYFPST-OCCSQVGLSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000602811144 351034807 /nfs/dbraw/zinc/03/48/07/351034807.db2.gz KLEDBTRXZKAVGL-AAEUAGOBSA-N 1 0 294.399 2.904 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000602813431 351035963 /nfs/dbraw/zinc/03/59/63/351035963.db2.gz XNUGWJQVVYGVMF-UONOGXRCSA-N 1 0 294.399 2.904 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000602831962 351039747 /nfs/dbraw/zinc/03/97/47/351039747.db2.gz MVTGPTRHNQZFLK-CHWSQXEVSA-N 1 0 292.383 2.610 20 5 CFBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602833492 351039916 /nfs/dbraw/zinc/03/99/16/351039916.db2.gz VTZMSFYVCPMRSQ-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000602848036 351043852 /nfs/dbraw/zinc/04/38/52/351043852.db2.gz CTZKQAFANMBTMI-CQSZACIVSA-N 1 0 292.383 2.754 20 5 CFBDRO CC[C@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000602741853 351010794 /nfs/dbraw/zinc/01/07/94/351010794.db2.gz WJIHHUJNLPVFSQ-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602743616 351011711 /nfs/dbraw/zinc/01/17/11/351011711.db2.gz VTRIZUUJVKZFOA-CYBMUJFWSA-N 1 0 292.383 2.731 20 5 CFBDRO Cc1ncc([C@@H](C)NCc2onc(C)c2[N+](=O)[O-])s1 ZINC000602958504 351072624 /nfs/dbraw/zinc/07/26/24/351072624.db2.gz XXDXLPQGILFPCI-ZCFIWIBFSA-N 1 0 282.325 2.507 20 5 CFBDRO C[C@@](CO)([NH2+]CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963052 351073520 /nfs/dbraw/zinc/07/35/20/351073520.db2.gz SITOQEFLGBGXTD-HNNXBMFYSA-N 1 0 278.352 2.582 20 5 CFBDRO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602982247 351083793 /nfs/dbraw/zinc/08/37/93/351083793.db2.gz PMTSZOUVKJCMDI-SWLSCSKDSA-N 1 0 278.352 2.893 20 5 CFBDRO CN(CCCC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000603421686 351161125 /nfs/dbraw/zinc/16/11/25/351161125.db2.gz AOJBTFPTRLLYHQ-UHFFFAOYSA-N 1 0 298.412 2.754 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000603428788 351163189 /nfs/dbraw/zinc/16/31/89/351163189.db2.gz RJPODNHBMMZCSB-IINYFYTJSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000603857954 351186967 /nfs/dbraw/zinc/18/69/67/351186967.db2.gz QLHVCHSHSLHVSN-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[NH+](CC)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603864050 351187273 /nfs/dbraw/zinc/18/72/73/351187273.db2.gz BMBWTBCRYSKEFS-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604379693 351209403 /nfs/dbraw/zinc/20/94/03/351209403.db2.gz GIAMTXYSDRQTBQ-FRRDWIJNSA-N 1 0 292.383 2.768 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604417843 351211542 /nfs/dbraw/zinc/21/15/42/351211542.db2.gz BLXZITYXPFTVMI-AWEZNQCLSA-N 1 0 291.395 2.902 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433483 351212286 /nfs/dbraw/zinc/21/22/86/351212286.db2.gz LNHSGCXHXVJPNH-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000604540074 351217902 /nfs/dbraw/zinc/21/79/02/351217902.db2.gz WBYYVLNWRAERLG-LBPRGKRZSA-N 1 0 281.331 2.701 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609595630 351511093 /nfs/dbraw/zinc/51/10/93/351511093.db2.gz TWUYKBKYAOAKOK-CYBMUJFWSA-N 1 0 277.368 2.870 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000119665657 186843555 /nfs/dbraw/zinc/84/35/55/186843555.db2.gz GYMQBOHDUQHJDC-FRRDWIJNSA-N 1 0 278.352 2.979 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610283120 351549567 /nfs/dbraw/zinc/54/95/67/351549567.db2.gz GRASSFGAPXHXQO-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420533 351564703 /nfs/dbraw/zinc/56/47/03/351564703.db2.gz OCVBFUVQSCVNLE-IUODEOHRSA-N 1 0 289.379 2.730 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)C2CCCCC2)c1 ZINC000610447606 351566405 /nfs/dbraw/zinc/56/64/05/351566405.db2.gz UJHBWSFMTQQKDD-UHFFFAOYSA-N 1 0 278.356 2.588 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000610518223 351576535 /nfs/dbraw/zinc/57/65/35/351576535.db2.gz GSATXEVUGYTEOC-LLVKDONJSA-N 1 0 274.324 2.786 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000610370215 351561526 /nfs/dbraw/zinc/56/15/26/351561526.db2.gz XBQCDEXIHZYZHK-UONOGXRCSA-N 1 0 289.379 2.826 20 5 CFBDRO COc1ccc(C[NH+]2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000611177210 351647553 /nfs/dbraw/zinc/64/75/53/351647553.db2.gz ARNRTTNLBWAWAM-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO CCN1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611222067 351652551 /nfs/dbraw/zinc/65/25/51/351652551.db2.gz WNUYNDIPNRRCQN-NXEZZACHSA-N 1 0 298.774 2.562 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254400 351657573 /nfs/dbraw/zinc/65/75/73/351657573.db2.gz KUWWALYGMDIGNP-LLVKDONJSA-N 1 0 294.351 2.842 20 5 CFBDRO CCC[C@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254880 351658761 /nfs/dbraw/zinc/65/87/61/351658761.db2.gz WEOGKZLRGTWPMS-NSHDSACASA-N 1 0 294.351 2.986 20 5 CFBDRO CC(C)[N@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611254842 351658808 /nfs/dbraw/zinc/65/88/08/351658808.db2.gz JAVWUCDRENJJCB-UHFFFAOYSA-N 1 0 274.324 2.729 20 5 CFBDRO CC(C)[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611410956 351684918 /nfs/dbraw/zinc/68/49/18/351684918.db2.gz APJKWMKSJBCZLZ-UHFFFAOYSA-N 1 0 269.370 2.941 20 5 CFBDRO C[NH+]1CCC([C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000611414541 351687766 /nfs/dbraw/zinc/68/77/66/351687766.db2.gz GHRXJZAOLZEWTF-GFCCVEGCSA-N 1 0 295.408 2.824 20 5 CFBDRO CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611516453 351702625 /nfs/dbraw/zinc/70/26/25/351702625.db2.gz HQHBMUFCBDQCBW-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285935 351664174 /nfs/dbraw/zinc/66/41/74/351664174.db2.gz QYRQRAAAIJLFRN-NSHDSACASA-N 1 0 292.335 2.598 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285934 351664195 /nfs/dbraw/zinc/66/41/95/351664195.db2.gz QYRQRAAAIJLFRN-LLVKDONJSA-N 1 0 292.335 2.598 20 5 CFBDRO CCOc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000611298467 351665061 /nfs/dbraw/zinc/66/50/61/351665061.db2.gz VGSQHWTXCOODAX-NWDGAFQWSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616866 351715105 /nfs/dbraw/zinc/71/51/05/351715105.db2.gz QJUSWBPMXHATJE-ZDUSSCGKSA-N 1 0 292.383 2.750 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121943092 187006246 /nfs/dbraw/zinc/00/62/46/187006246.db2.gz GOVTXMBNRVAWQO-TUAOUCFPSA-N 1 0 291.351 2.795 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000123137212 187073234 /nfs/dbraw/zinc/07/32/34/187073234.db2.gz IHOFSRZHECKZOR-HNNXBMFYSA-N 1 0 288.351 2.612 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122941679 187060847 /nfs/dbraw/zinc/06/08/47/187060847.db2.gz UWERNRBLYBGJRJ-VXGBXAGGSA-N 1 0 275.352 2.940 20 5 CFBDRO C[C@@H](CC1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123320537 187084889 /nfs/dbraw/zinc/08/48/89/187084889.db2.gz ARGVQXVNQIPCEB-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123741773 187107192 /nfs/dbraw/zinc/10/71/92/187107192.db2.gz BLCAFDOTUKYIEI-FZMZJTMJSA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123899025 187114197 /nfs/dbraw/zinc/11/41/97/187114197.db2.gz BTLNOUZVBIQUIP-UONOGXRCSA-N 1 0 266.341 2.652 20 5 CFBDRO COc1cc(CN2CCC23CCC3)c([N+](=O)[O-])cc1F ZINC000613380822 351948838 /nfs/dbraw/zinc/94/88/38/351948838.db2.gz MDUSCLVFGVVUGN-UHFFFAOYSA-N 1 0 280.299 2.871 20 5 CFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000613064604 351895498 /nfs/dbraw/zinc/89/54/98/351895498.db2.gz SEIPUTMLMBJXRN-NSHDSACASA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000271453200 191145213 /nfs/dbraw/zinc/14/52/13/191145213.db2.gz GLDRYJDLYCXGMW-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271473067 191158076 /nfs/dbraw/zinc/15/80/76/191158076.db2.gz JHQUQCRKUALLSS-LLVKDONJSA-N 1 0 274.324 2.786 20 5 CFBDRO Cc1ccc(CNCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221789765 539880372 /nfs/dbraw/zinc/88/03/72/539880372.db2.gz NTJBNHKUIBLVSN-UHFFFAOYSA-N 1 0 279.384 2.723 20 5 CFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561403 191212583 /nfs/dbraw/zinc/21/25/83/191212583.db2.gz PTBAXYRFTJRYKP-NEPJUHHUSA-N 1 0 291.351 2.796 20 5 CFBDRO CCOc1cc(C[NH2+][C@H](COC)C(C)C)ccc1[N+](=O)[O-] ZINC000617219522 352519884 /nfs/dbraw/zinc/51/98/84/352519884.db2.gz KBUVGEBWTCDROC-CYBMUJFWSA-N 1 0 296.367 2.754 20 5 CFBDRO CC(C)(CO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571978 352814588 /nfs/dbraw/zinc/81/45/88/352814588.db2.gz AFDAAOIBDCOWJR-AWEZNQCLSA-N 1 0 278.352 2.580 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CC2)n1 ZINC000618571886 352814606 /nfs/dbraw/zinc/81/46/06/352814606.db2.gz KLTRZUHUARUZSF-STQMWFEESA-N 1 0 278.356 2.665 20 5 CFBDRO CN1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618565163 352810169 /nfs/dbraw/zinc/81/01/69/352810169.db2.gz CSXPQMMJLVKXII-XJKSGUPXSA-N 1 0 289.379 2.656 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000619426158 353020850 /nfs/dbraw/zinc/02/08/50/353020850.db2.gz SZNVQXJJRWLVIG-DOMZBBRYSA-N 1 0 294.351 2.521 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000154078002 188121863 /nfs/dbraw/zinc/12/18/63/188121863.db2.gz QLTAUFSUFCXDBP-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000154276994 188133757 /nfs/dbraw/zinc/13/37/57/188133757.db2.gz FDSOBJZXAOWLMG-YPMHNXCESA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2=CCCOC2)C2CC2)c1 ZINC000154294038 188134111 /nfs/dbraw/zinc/13/41/11/188134111.db2.gz YQFAQGTVSCUOPZ-UHFFFAOYSA-N 1 0 288.347 2.906 20 5 CFBDRO CCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158788989 188394548 /nfs/dbraw/zinc/39/45/48/188394548.db2.gz ZOCKIMLIAPOXGM-GFCCVEGCSA-N 1 0 265.357 2.506 20 5 CFBDRO CC(C)(C)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000159804198 188442123 /nfs/dbraw/zinc/44/21/23/188442123.db2.gz VEJDWVINNGUOCV-UHFFFAOYSA-N 1 0 295.383 2.561 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC2OCCCO2)cc1[N+](=O)[O-] ZINC000271805954 191339142 /nfs/dbraw/zinc/33/91/42/191339142.db2.gz QENYTQCUJMJFLR-GFCCVEGCSA-N 1 0 294.351 2.707 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000272257970 191614252 /nfs/dbraw/zinc/61/42/52/191614252.db2.gz AGGKLDJXTLTUQT-PWSUYJOCSA-N 1 0 298.770 2.805 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000272530551 191770956 /nfs/dbraw/zinc/77/09/56/191770956.db2.gz OVITZUXCPPKUBW-QWHCGFSZSA-N 1 0 288.351 2.921 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1O ZINC000568983630 290580507 /nfs/dbraw/zinc/58/05/07/290580507.db2.gz MMYQPLHMUUDVSI-MNOVXSKESA-N 1 0 298.314 2.679 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119505151 540467783 /nfs/dbraw/zinc/46/77/83/540467783.db2.gz IOKIJGMNMUEJKE-CYBMUJFWSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000297330916 200150478 /nfs/dbraw/zinc/15/04/78/200150478.db2.gz NZCHSPDWPGUKBR-MLGOLLRUSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916815 237346471 /nfs/dbraw/zinc/34/64/71/237346471.db2.gz BOAUYHSHBGNUTE-MBNYWOFBSA-N 1 0 277.368 2.694 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000297462552 200199039 /nfs/dbraw/zinc/19/90/39/200199039.db2.gz RKOOIFHRQQSRBB-UHFFFAOYSA-N 1 0 279.315 2.773 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000297671379 200258026 /nfs/dbraw/zinc/25/80/26/200258026.db2.gz LABNBVKDPWSZLX-YPMHNXCESA-N 1 0 286.335 2.629 20 5 CFBDRO Cc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000298228175 200366883 /nfs/dbraw/zinc/36/68/83/200366883.db2.gz HAOXPZCAGKSUFJ-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177431680 189050546 /nfs/dbraw/zinc/05/05/46/189050546.db2.gz QVYJBMQXFNSBFM-NEPJUHHUSA-N 1 0 293.367 2.501 20 5 CFBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177847566 189073924 /nfs/dbraw/zinc/07/39/24/189073924.db2.gz NTVDYKCKHXIBHI-NSHDSACASA-N 1 0 293.367 2.562 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000177930695 189080313 /nfs/dbraw/zinc/08/03/13/189080313.db2.gz VCZQQBHHSRXNRQ-NEPJUHHUSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000178240443 189100175 /nfs/dbraw/zinc/10/01/75/189100175.db2.gz BHDOPSFACOPKTP-ZDUSSCGKSA-N 1 0 292.383 2.609 20 5 CFBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856897 189151148 /nfs/dbraw/zinc/15/11/48/189151148.db2.gz BQSOHTSLVNXKQO-AWEZNQCLSA-N 1 0 264.325 2.501 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCOCC2)C2CC2)cc1 ZINC000179518238 189198840 /nfs/dbraw/zinc/19/88/40/189198840.db2.gz SAQCVAJVOLCDNL-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423278884 238338342 /nfs/dbraw/zinc/33/83/42/238338342.db2.gz RHFJUZNWMDAHLJ-WCQYABFASA-N 1 0 265.357 2.537 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000181053503 189287020 /nfs/dbraw/zinc/28/70/20/189287020.db2.gz RFOJWVPVJKMYFW-KKUMJFAQSA-N 1 0 278.352 2.939 20 5 CFBDRO Cc1cnc(NCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301444985 201012071 /nfs/dbraw/zinc/01/20/71/201012071.db2.gz NUBQBJIBLXMJLB-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000301461134 201017752 /nfs/dbraw/zinc/01/77/52/201017752.db2.gz IZQAHOVFDOWMJV-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301479001 201022721 /nfs/dbraw/zinc/02/27/21/201022721.db2.gz QSICMHNHINRCLZ-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000181837939 189308124 /nfs/dbraw/zinc/30/81/24/189308124.db2.gz SORNKVCVJIZYCY-NWDGAFQWSA-N 1 0 292.335 2.507 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000301527553 201048070 /nfs/dbraw/zinc/04/80/70/201048070.db2.gz IKLDUTFKCZWYKJ-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000182126428 189314853 /nfs/dbraw/zinc/31/48/53/189314853.db2.gz LQBQBRBRPATBGU-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182444193 189323729 /nfs/dbraw/zinc/32/37/29/189323729.db2.gz AJHBCTNDGUFXEZ-GHMZBOCLSA-N 1 0 252.314 2.589 20 5 CFBDRO CC1CC[NH+](CCNc2sccc2[N+](=O)[O-])CC1 ZINC000301941355 201270440 /nfs/dbraw/zinc/27/04/40/201270440.db2.gz VTNFUWTVYDGIDY-UHFFFAOYSA-N 1 0 269.370 2.800 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426473864 239228420 /nfs/dbraw/zinc/22/84/20/239228420.db2.gz RQBUKQJZVVIFKO-SWLSCSKDSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1cc(NCC[C@H](C)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000302138510 201359347 /nfs/dbraw/zinc/35/93/47/201359347.db2.gz IPZBZNRSSGHION-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1ccnc(NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000302173890 201380786 /nfs/dbraw/zinc/38/07/86/201380786.db2.gz VZFGJEYUXBQFMH-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CCOCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588881 189625157 /nfs/dbraw/zinc/62/51/57/189625157.db2.gz QFMXDNCDRBWPTQ-OAHLLOKOSA-N 1 0 278.352 2.988 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432416643 240001900 /nfs/dbraw/zinc/00/19/00/240001900.db2.gz HYCPYSMKFDFANL-LKSINWNRSA-N 1 0 278.352 2.715 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000433187103 240120009 /nfs/dbraw/zinc/12/00/09/240120009.db2.gz MXJXQQCNSPDYNG-LBPRGKRZSA-N 1 0 280.368 2.969 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000090716831 292841448 /nfs/dbraw/zinc/84/14/48/292841448.db2.gz QSYYOVFCNMGNBA-SMDDNHRTSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330927 241052838 /nfs/dbraw/zinc/05/28/38/241052838.db2.gz USPMPWQFYMKBPR-ZETOZRRWSA-N 1 0 296.342 2.715 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+](C)C ZINC000443431855 241061093 /nfs/dbraw/zinc/06/10/93/241061093.db2.gz PJCGOJOGZCYGMS-MRVPVSSYSA-N 1 0 289.282 2.558 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639951 241159027 /nfs/dbraw/zinc/15/90/27/241159027.db2.gz OEGVJYRTZBONRW-NSHDSACASA-N 1 0 288.351 2.949 20 5 CFBDRO CC(C)(C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446832324 241330324 /nfs/dbraw/zinc/33/03/24/241330324.db2.gz APBXCEVZICUHAS-UHFFFAOYSA-N 1 0 276.340 2.997 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173484 241745329 /nfs/dbraw/zinc/74/53/29/241745329.db2.gz LIHLPCKXDLLESJ-KGLIPLIRSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)CCCOC1 ZINC000449219968 241773862 /nfs/dbraw/zinc/77/38/62/241773862.db2.gz GBOMFPZABBJXCT-SWLSCSKDSA-N 1 0 278.352 2.685 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)CCO ZINC000449356073 241868791 /nfs/dbraw/zinc/86/87/91/241868791.db2.gz FTCWEBIBRLKUGY-ODUNQGDFSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CC1 ZINC000449446871 241939901 /nfs/dbraw/zinc/93/99/01/241939901.db2.gz VAVRTOXQILTKRH-QWRGUYRKSA-N 1 0 291.351 2.700 20 5 CFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000449585407 242051499 /nfs/dbraw/zinc/05/14/99/242051499.db2.gz LGWCTQPMNHNVDN-CQSZACIVSA-N 1 0 280.368 2.824 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000449681248 242103754 /nfs/dbraw/zinc/10/37/54/242103754.db2.gz IPTSIUJYNWXPNR-CYBMUJFWSA-N 1 0 278.352 2.810 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449687787 242108151 /nfs/dbraw/zinc/10/81/51/242108151.db2.gz QYALKEQIBXCNSQ-OAHLLOKOSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCOC1 ZINC000449690396 242112109 /nfs/dbraw/zinc/11/21/09/242112109.db2.gz PEEAFMLPGRWVKE-UONOGXRCSA-N 1 0 292.379 2.932 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449756901 242139633 /nfs/dbraw/zinc/13/96/33/242139633.db2.gz CMGMJXCSWAWTEZ-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449756900 242140037 /nfs/dbraw/zinc/14/00/37/242140037.db2.gz CMGMJXCSWAWTEZ-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)C[NH+]1CCCC1 ZINC000449766509 242146226 /nfs/dbraw/zinc/14/62/26/242146226.db2.gz BMKOKZNZOIJUFF-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNCc1cccc([N+](=O)[O-])c1 ZINC000449782641 242158770 /nfs/dbraw/zinc/15/87/70/242158770.db2.gz LICZTZLFFFBNCY-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000450218123 242312125 /nfs/dbraw/zinc/31/21/25/242312125.db2.gz SLMNNKODLVEFCF-JTQLQIEISA-N 1 0 297.330 2.639 20 5 CFBDRO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000450245097 242322877 /nfs/dbraw/zinc/32/28/77/242322877.db2.gz WWDKQBBAPBGVAI-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](SC)C1 ZINC000451320863 242804404 /nfs/dbraw/zinc/80/44/04/242804404.db2.gz BHUCPFGMEINLQR-LBPRGKRZSA-N 1 0 282.365 2.541 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H](C)C1 ZINC000452064628 243031231 /nfs/dbraw/zinc/03/12/31/243031231.db2.gz GPFIYBMPWPICOX-RWMBFGLXSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452113541 243049128 /nfs/dbraw/zinc/04/91/28/243049128.db2.gz ILZYICOETZLZAL-HNNXBMFYSA-N 1 0 291.395 2.818 20 5 CFBDRO CC[C@@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230221970 189808011 /nfs/dbraw/zinc/80/80/11/189808011.db2.gz VTVKSHVEZLSCDL-ZDUSSCGKSA-N 1 0 286.759 2.889 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000276199865 193240482 /nfs/dbraw/zinc/24/04/82/193240482.db2.gz IHXHPAHJLOCXFH-UHFFFAOYSA-N 1 0 272.370 2.687 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908293 203377355 /nfs/dbraw/zinc/37/73/55/203377355.db2.gz OJUPTKQNOHCPEA-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCCO ZINC000276355545 193296915 /nfs/dbraw/zinc/29/69/15/193296915.db2.gz JFFCZYWQCXHVBC-LBPRGKRZSA-N 1 0 266.341 2.669 20 5 CFBDRO C[N@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276583965 193389788 /nfs/dbraw/zinc/38/97/88/193389788.db2.gz PAYPDLQVCVHWIF-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459626749 245249472 /nfs/dbraw/zinc/24/94/72/245249472.db2.gz CQLPYEXBKBADHM-FPMFFAJLSA-N 1 0 278.352 2.683 20 5 CFBDRO COCC1(C)C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459621901 245245277 /nfs/dbraw/zinc/24/52/77/245245277.db2.gz MKVYSOQPNIRUFD-NTUHNPAUSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccccc1[N+](=O)[O-] ZINC000020047890 372223042 /nfs/dbraw/zinc/22/30/42/372223042.db2.gz POZCYILBRJUEDT-CQSZACIVSA-N 1 0 291.395 2.949 20 5 CFBDRO Cc1ccc([C@@H](C)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000020091857 372229094 /nfs/dbraw/zinc/22/90/94/372229094.db2.gz FPXCRIGWCSHYHE-GFCCVEGCSA-N 1 0 265.357 2.506 20 5 CFBDRO CCC[NH+]1CCC(NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000035011194 372526617 /nfs/dbraw/zinc/52/66/17/372526617.db2.gz IPAFRXGHUYDMRH-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237782607 189889506 /nfs/dbraw/zinc/88/95/06/189889506.db2.gz AQFIUTBYVMRKKX-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1C ZINC000036950020 372615666 /nfs/dbraw/zinc/61/56/66/372615666.db2.gz YXAIRBMHNCVRIZ-UHFFFAOYSA-N 1 0 251.330 2.657 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037157505 372658604 /nfs/dbraw/zinc/65/86/04/372658604.db2.gz ZJXJEHPKNMFILA-IUODEOHRSA-N 1 0 288.351 2.921 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000037647641 372681347 /nfs/dbraw/zinc/68/13/47/372681347.db2.gz POFWIEJQLKQQPC-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO C[C@H]([NH2+]CCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000037717986 372691643 /nfs/dbraw/zinc/69/16/43/372691643.db2.gz BKNUXNBZAMFZBI-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037717962 372692707 /nfs/dbraw/zinc/69/27/07/372692707.db2.gz FHYFOBWNNGYXBU-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO CSCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775651 372705708 /nfs/dbraw/zinc/70/57/08/372705708.db2.gz XGUNBUFOMVPZFS-JTQLQIEISA-N 1 0 254.355 2.999 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000037999278 372758013 /nfs/dbraw/zinc/75/80/13/372758013.db2.gz OZFUFPBDGAUAJZ-LBPRGKRZSA-N 1 0 278.356 2.524 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775010 372787066 /nfs/dbraw/zinc/78/70/66/372787066.db2.gz FVMUVMXUHDTTNC-GXTWGEPZSA-N 1 0 280.368 2.961 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000049100005 373271874 /nfs/dbraw/zinc/27/18/74/373271874.db2.gz MJWMWXDEHFVIED-JTQLQIEISA-N 1 0 269.732 2.754 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000049937539 373332477 /nfs/dbraw/zinc/33/24/77/373332477.db2.gz KPASLZODRWUTKT-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO CC(C)C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000049970652 373337792 /nfs/dbraw/zinc/33/77/92/373337792.db2.gz KUQSNDRQVVDXMG-AWEZNQCLSA-N 1 0 291.395 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCO2)c(Cl)c1 ZINC000049963736 373338169 /nfs/dbraw/zinc/33/81/69/373338169.db2.gz CSXJMBWCBTVVGC-LBPRGKRZSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000051996371 373426778 /nfs/dbraw/zinc/42/67/78/373426778.db2.gz GMPLOCYOCQGALL-CHWSQXEVSA-N 1 0 284.743 2.641 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000058003185 373623251 /nfs/dbraw/zinc/62/32/51/373623251.db2.gz RFZCBXJFOVGKFK-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188301 373790798 /nfs/dbraw/zinc/79/07/98/373790798.db2.gz MMIVEROTUSVIAA-JKSUJKDBSA-N 1 0 289.379 2.701 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000068045572 374021016 /nfs/dbraw/zinc/02/10/16/374021016.db2.gz SKNAVUUEGGUGSS-UHFFFAOYSA-N 1 0 269.320 2.734 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000068451027 374029996 /nfs/dbraw/zinc/02/99/96/374029996.db2.gz SHLTWBOBLJGXQT-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO CSC1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000289498589 197379192 /nfs/dbraw/zinc/37/91/92/197379192.db2.gz CBNNOOJJLCILBK-UHFFFAOYSA-N 1 0 280.393 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CCOCC2)c1 ZINC000070161010 374132290 /nfs/dbraw/zinc/13/22/90/374132290.db2.gz DGWRRUMEJAJHIV-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248332108 189946725 /nfs/dbraw/zinc/94/67/25/189946725.db2.gz FFNRGVHFFYJUJV-NEPJUHHUSA-N 1 0 294.351 2.713 20 5 CFBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072601238 374268873 /nfs/dbraw/zinc/26/88/73/374268873.db2.gz HXQLGIJAXCACJP-NSHDSACASA-N 1 0 279.340 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)nc1 ZINC000072665104 374274636 /nfs/dbraw/zinc/27/46/36/374274636.db2.gz PLKZYKBZVZVKSA-OLZOCXBDSA-N 1 0 288.351 2.585 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000072874710 374297417 /nfs/dbraw/zinc/29/74/17/374297417.db2.gz GFLZPJQLJFXDKM-LLVKDONJSA-N 1 0 291.351 2.716 20 5 CFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000072926603 374301970 /nfs/dbraw/zinc/30/19/70/374301970.db2.gz VGXWVUPOWBVGTB-DZGCQCFKSA-N 1 0 278.352 2.888 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076071850 374528301 /nfs/dbraw/zinc/52/83/01/374528301.db2.gz CKPZTSQOZQEBSW-ZDUSSCGKSA-N 1 0 266.366 2.922 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076072193 374528830 /nfs/dbraw/zinc/52/88/30/374528830.db2.gz VKOJAVVFFDXLHQ-CYBMUJFWSA-N 1 0 266.366 2.922 20 5 CFBDRO COc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000079844086 374631740 /nfs/dbraw/zinc/63/17/40/374631740.db2.gz GGNUCTAQZYUTEA-JTQLQIEISA-N 1 0 264.325 2.834 20 5 CFBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000492818951 246396144 /nfs/dbraw/zinc/39/61/44/246396144.db2.gz QICPVTVZWGZAJB-VXGBXAGGSA-N 1 0 280.372 2.777 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000080123683 374642575 /nfs/dbraw/zinc/64/25/75/374642575.db2.gz UFKJHFUHOHBALN-LBPRGKRZSA-N 1 0 262.309 2.802 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095882 374686378 /nfs/dbraw/zinc/68/63/78/374686378.db2.gz IPZLCZLGWKYUQO-CZUORRHYSA-N 1 0 291.395 2.757 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000086682651 374804974 /nfs/dbraw/zinc/80/49/74/374804974.db2.gz WSINBKBAYPQFPL-WCQYABFASA-N 1 0 266.341 2.916 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439741 374776612 /nfs/dbraw/zinc/77/66/12/374776612.db2.gz HRUYSLUKOXSLEY-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)s1 ZINC000090537833 375019331 /nfs/dbraw/zinc/01/93/31/375019331.db2.gz UPFRZIZCBINSKN-JTQLQIEISA-N 1 0 294.380 2.820 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000091957354 375073092 /nfs/dbraw/zinc/07/30/92/375073092.db2.gz WWAYETPSKNTSPB-NWANDNLSSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482249 375251902 /nfs/dbraw/zinc/25/19/02/375251902.db2.gz DXZQQGMGIGUSPR-YFOKADDASA-N 1 0 290.363 2.843 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000093232544 375198367 /nfs/dbraw/zinc/19/83/67/375198367.db2.gz XFYKKZPZUHGPLQ-QWHCGFSZSA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820054 375316522 /nfs/dbraw/zinc/31/65/22/375316522.db2.gz IMURSSXPSDOOMI-WMHVBEDNSA-N 1 0 288.347 2.720 20 5 CFBDRO CCC(CC)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534844 375264415 /nfs/dbraw/zinc/26/44/15/375264415.db2.gz ZLEQOQOAWCPBSP-CYBMUJFWSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CS1 ZINC000094473106 375362827 /nfs/dbraw/zinc/36/28/27/375362827.db2.gz HAQRMZKQRMXZSC-KOLCDFICSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[C@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000094721625 375375499 /nfs/dbraw/zinc/37/54/99/375375499.db2.gz VPSKZQUAYJZUGR-ZDUSSCGKSA-N 1 0 264.325 2.672 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCCCC2)cc1F ZINC000094774643 375377965 /nfs/dbraw/zinc/37/79/65/375377965.db2.gz VUNHXKQJMQAKJP-UHFFFAOYSA-N 1 0 296.342 2.861 20 5 CFBDRO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000501784517 247106351 /nfs/dbraw/zinc/10/63/51/247106351.db2.gz HFDABCXPKIVMOF-STQMWFEESA-N 1 0 278.352 2.952 20 5 CFBDRO CC[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000499943759 247092091 /nfs/dbraw/zinc/09/20/91/247092091.db2.gz DXZNUUCGNIMYPW-GHMZBOCLSA-N 1 0 279.340 2.700 20 5 CFBDRO Cn1cc(C[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000102420446 375675179 /nfs/dbraw/zinc/67/51/79/375675179.db2.gz GIPQBAQSCLUUBW-UHFFFAOYSA-N 1 0 286.335 2.591 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000107829673 375810631 /nfs/dbraw/zinc/81/06/31/375810631.db2.gz GTGYSTNKGVWSMT-TZMCWYRMSA-N 1 0 261.325 2.634 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000111385738 375843476 /nfs/dbraw/zinc/84/34/76/375843476.db2.gz RQEISIAQOGDXPX-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC000112983026 375980686 /nfs/dbraw/zinc/98/06/86/375980686.db2.gz MIBCLZWSEWOQKJ-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO CC(C)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112655148 375940785 /nfs/dbraw/zinc/94/07/85/375940785.db2.gz OZKHUSYAOCVPOY-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261651436 190042065 /nfs/dbraw/zinc/04/20/65/190042065.db2.gz JSOBXIDFJCEGOI-WCQYABFASA-N 1 0 291.351 2.749 20 5 CFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C ZINC000263736438 190076175 /nfs/dbraw/zinc/07/61/75/190076175.db2.gz DHHNIZNVLPRFGI-LLVKDONJSA-N 1 0 293.367 2.900 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264584610 190120345 /nfs/dbraw/zinc/12/03/45/190120345.db2.gz KJRKGLMVNKXCHE-INIZCTEOSA-N 1 0 289.379 2.655 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124056409 377013075 /nfs/dbraw/zinc/01/30/75/377013075.db2.gz KSDSFXWBIIFGHM-QWRGUYRKSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129625245 377454244 /nfs/dbraw/zinc/45/42/44/377454244.db2.gz KXPXDURCCWXKFL-SGMGOOAPSA-N 1 0 289.379 2.871 20 5 CFBDRO CC[N@@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265502508 190186824 /nfs/dbraw/zinc/18/68/24/190186824.db2.gz PRVBHXIBYHDAFN-CYBMUJFWSA-N 1 0 277.368 2.683 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCC1 ZINC000130581012 377580050 /nfs/dbraw/zinc/58/00/50/377580050.db2.gz KJOOHTOJTIKQQL-JTQLQIEISA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCCCO)C2CC2)cc1 ZINC000130976074 377639945 /nfs/dbraw/zinc/63/99/45/377639945.db2.gz BDNBZXAAYZQWSM-UHFFFAOYSA-N 1 0 278.352 2.722 20 5 CFBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135336892 378119748 /nfs/dbraw/zinc/11/97/48/378119748.db2.gz TVLKDGYZLFLEQT-OLZOCXBDSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000135451365 378134152 /nfs/dbraw/zinc/13/41/52/378134152.db2.gz UAMUOAIUTDHHOB-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO CC(C)COCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135458029 378134485 /nfs/dbraw/zinc/13/44/85/378134485.db2.gz QGWZSODCDPZXPK-LBPRGKRZSA-N 1 0 266.341 2.918 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000135470364 378135715 /nfs/dbraw/zinc/13/57/15/378135715.db2.gz HIOUSEJXAVOABE-NTZNESFSSA-N 1 0 264.325 2.670 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135471161 378135729 /nfs/dbraw/zinc/13/57/29/378135729.db2.gz WDZXLZSQYYUBIL-JTQLQIEISA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@@]1(C)CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000135665401 378154421 /nfs/dbraw/zinc/15/44/21/378154421.db2.gz YAXVDOJHGNAFSO-HNNXBMFYSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1ccoc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000135174657 378095179 /nfs/dbraw/zinc/09/51/79/378095179.db2.gz KDLDXCRZFNQXAX-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796673 378164172 /nfs/dbraw/zinc/16/41/72/378164172.db2.gz DJFIRTSXBYZUQC-VHSXEESVSA-N 1 0 254.355 2.997 20 5 CFBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000149405927 378263932 /nfs/dbraw/zinc/26/39/32/378263932.db2.gz LGUAMCXTKJXXJI-PELKAZGASA-N 1 0 270.716 2.515 20 5 CFBDRO COCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000151182409 378303121 /nfs/dbraw/zinc/30/31/21/378303121.db2.gz NRPLVBHKDGTRBE-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153851220 378517275 /nfs/dbraw/zinc/51/72/75/378517275.db2.gz PSNHZTAIRSLENQ-DOMZBBRYSA-N 1 0 276.336 2.768 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000330395689 378544875 /nfs/dbraw/zinc/54/48/75/378544875.db2.gz FGTKULXOFARTPH-CMPLNLGQSA-N 1 0 291.351 2.620 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330506830 378572629 /nfs/dbraw/zinc/57/26/29/378572629.db2.gz HMKHTNGCRXEPSP-LBPRGKRZSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331138792 378638881 /nfs/dbraw/zinc/63/88/81/378638881.db2.gz DONIUGSWDGPOIT-KGLIPLIRSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331270844 378661433 /nfs/dbraw/zinc/66/14/33/378661433.db2.gz AVCSKJVTIPPCFY-JMSVASOKSA-N 1 0 278.352 2.576 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194735 378691984 /nfs/dbraw/zinc/69/19/84/378691984.db2.gz JGWASPWJAHRFJS-GXFFZTMASA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331568259 378709147 /nfs/dbraw/zinc/70/91/47/378709147.db2.gz UQXBWJIZEJBKJU-CHWSQXEVSA-N 1 0 289.379 2.791 20 5 CFBDRO Cc1c[nH]nc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289462679 197359945 /nfs/dbraw/zinc/35/99/45/197359945.db2.gz IIMIOXQTFXOLPC-NSHDSACASA-N 1 0 274.324 2.786 20 5 CFBDRO CC(C)C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278755717 194140303 /nfs/dbraw/zinc/14/03/03/194140303.db2.gz SNAAYMKXVZBKDL-SNVBAGLBSA-N 1 0 276.340 2.995 20 5 CFBDRO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000171949379 379448333 /nfs/dbraw/zinc/44/83/33/379448333.db2.gz IUMPPIJZUSZIGG-RYUDHWBXSA-N 1 0 293.367 2.900 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCOC1 ZINC000267066787 190301265 /nfs/dbraw/zinc/30/12/65/190301265.db2.gz UUCXVHXQHDCXKY-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1ccnc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267232922 190313510 /nfs/dbraw/zinc/31/35/10/190313510.db2.gz FXAPMPJHZXUMQB-NWDGAFQWSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000173275365 379718236 /nfs/dbraw/zinc/71/82/36/379718236.db2.gz AKLLQIKSCWATLG-UHFFFAOYSA-N 1 0 279.340 2.572 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000267278722 190317963 /nfs/dbraw/zinc/31/79/63/190317963.db2.gz OJTCBCUONZBKCT-NXEZZACHSA-N 1 0 298.774 2.928 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000176201593 380194071 /nfs/dbraw/zinc/19/40/71/380194071.db2.gz BNIFJTVLKZKAJN-CQSZACIVSA-N 1 0 286.335 2.628 20 5 CFBDRO Cc1nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268524931 190408703 /nfs/dbraw/zinc/40/87/03/190408703.db2.gz VVGOXPPIYDTPMA-NEPJUHHUSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268901403 190449200 /nfs/dbraw/zinc/44/92/00/190449200.db2.gz CRJPRKSCDPLSKY-CQSZACIVSA-N 1 0 288.351 2.612 20 5 CFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000336806174 380663158 /nfs/dbraw/zinc/66/31/58/380663158.db2.gz JZEXEQRXRZAWTH-COPLHBTASA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cc(NCC[N@@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000336817406 380680499 /nfs/dbraw/zinc/68/04/99/380680499.db2.gz QFMWFBZTNNLRBB-UHFFFAOYSA-N 1 0 269.320 2.794 20 5 CFBDRO Cc1cc(NCc2cc[nH]n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181454225 380796117 /nfs/dbraw/zinc/79/61/17/380796117.db2.gz VTMNJLLOOPNYBA-UHFFFAOYSA-N 1 0 283.291 2.787 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000279199504 194328840 /nfs/dbraw/zinc/32/88/40/194328840.db2.gz XFCRZDQBIBBUDM-IAQYHMDHSA-N 1 0 278.352 2.723 20 5 CFBDRO CN(C(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000341176974 380816813 /nfs/dbraw/zinc/81/68/13/380816813.db2.gz SKYNRYAESPWECB-UHFFFAOYSA-N 1 0 296.286 2.519 20 5 CFBDRO COC(=O)C1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000279206103 194333430 /nfs/dbraw/zinc/33/34/30/194333430.db2.gz LQAWMMLFQVEHMT-NSHDSACASA-N 1 0 292.335 2.507 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000279257568 194355199 /nfs/dbraw/zinc/35/51/99/194355199.db2.gz HTYDDZXEMPGPMV-HNNXBMFYSA-N 1 0 294.351 2.604 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347021767 380884630 /nfs/dbraw/zinc/88/46/30/380884630.db2.gz NNTBZCMELQNKJO-COPLHBTASA-N 1 0 292.335 2.539 20 5 CFBDRO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000353833376 380888195 /nfs/dbraw/zinc/88/81/95/380888195.db2.gz ZDETUABFLTVEIE-UHFFFAOYSA-N 1 0 294.351 2.986 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H](C)O ZINC000341304544 380919682 /nfs/dbraw/zinc/91/96/82/380919682.db2.gz QFUSNEZMAVHHLY-UPJWGTAASA-N 1 0 280.368 2.665 20 5 CFBDRO C[NH2+]C[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347231111 381018544 /nfs/dbraw/zinc/01/85/44/381018544.db2.gz YCXZVGZYHOBSLV-BMWLXYDHSA-N 1 0 289.379 2.539 20 5 CFBDRO C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC000295692696 381020605 /nfs/dbraw/zinc/02/06/05/381020605.db2.gz OQYGAPKSBCPYSC-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO Cc1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000353973317 380991572 /nfs/dbraw/zinc/99/15/72/380991572.db2.gz IBJWALZLHUAVOW-LLVKDONJSA-N 1 0 275.308 2.785 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000279297952 194373807 /nfs/dbraw/zinc/37/38/07/194373807.db2.gz LTVFXHFILIDEDQ-OAHLLOKOSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000182228024 381032203 /nfs/dbraw/zinc/03/22/03/381032203.db2.gz ZGHAMHYTMYSFSY-CQSZACIVSA-N 1 0 296.754 2.861 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000341489045 381044600 /nfs/dbraw/zinc/04/46/00/381044600.db2.gz QJIMRYUADKWQBV-MNOVXSKESA-N 1 0 294.351 2.835 20 5 CFBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCCCO ZINC000279341552 194392430 /nfs/dbraw/zinc/39/24/30/194392430.db2.gz FICRYRNCEOFAQA-VQHVLOKHSA-N 1 0 278.352 2.702 20 5 CFBDRO CC(C)OCCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000354225343 381151015 /nfs/dbraw/zinc/15/10/15/381151015.db2.gz RFOYUNBHFBUCKM-UHFFFAOYSA-N 1 0 296.367 2.721 20 5 CFBDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289797619 381162121 /nfs/dbraw/zinc/16/21/21/381162121.db2.gz IBKVILWMHSQJTE-LLVKDONJSA-N 1 0 293.367 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000368756714 381125794 /nfs/dbraw/zinc/12/57/94/381125794.db2.gz VIGYCUBEEDKZQK-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000369019634 381181773 /nfs/dbraw/zinc/18/17/73/381181773.db2.gz YZFMMJKRKJDZAW-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289903208 381212004 /nfs/dbraw/zinc/21/20/04/381212004.db2.gz NNNFOTJUUKLYPY-CQSZACIVSA-N 1 0 286.335 2.547 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342287632 381250824 /nfs/dbraw/zinc/25/08/24/381250824.db2.gz AYKPBISSVLYFLX-QWRGUYRKSA-N 1 0 268.288 2.584 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359086011 381257523 /nfs/dbraw/zinc/25/75/23/381257523.db2.gz UUVFYGZJTVKBLJ-LBPRGKRZSA-N 1 0 280.372 2.749 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C(C)C)CC2)n1 ZINC000359101980 381266039 /nfs/dbraw/zinc/26/60/39/381266039.db2.gz FXYGPWPCGDUASD-UHFFFAOYSA-N 1 0 292.383 2.891 20 5 CFBDRO CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000296129354 381268518 /nfs/dbraw/zinc/26/85/18/381268518.db2.gz WBXOMKMZUZQHAI-VIFPVBQESA-N 1 0 268.313 2.500 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000342275001 381240822 /nfs/dbraw/zinc/24/08/22/381240822.db2.gz IUACHFHFJNGFJO-QWRGUYRKSA-N 1 0 298.314 2.592 20 5 CFBDRO CC[N@H+](CCNc1nc(C)cc(C)c1[N+](=O)[O-])C(C)C ZINC000359108283 381269875 /nfs/dbraw/zinc/26/98/75/381269875.db2.gz LTWKJDZGMLGASA-UHFFFAOYSA-N 1 0 280.372 2.749 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296177677 381287718 /nfs/dbraw/zinc/28/77/18/381287718.db2.gz UHZOZTTUFZOXMJ-AWEZNQCLSA-N 1 0 291.395 2.553 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000290158887 381324262 /nfs/dbraw/zinc/32/42/62/381324262.db2.gz LUPPNWXJWNAYGM-OCCSQVGLSA-N 1 0 280.368 2.931 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000290189010 381335678 /nfs/dbraw/zinc/33/56/78/381335678.db2.gz ODDGTSUNQWYQDR-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000288823784 197173472 /nfs/dbraw/zinc/17/34/72/197173472.db2.gz NKTPIJJGXHQGQX-OAHLLOKOSA-N 1 0 278.352 2.579 20 5 CFBDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296240729 381315811 /nfs/dbraw/zinc/31/58/11/381315811.db2.gz ATOOXGYZGHETRG-CMPLNLGQSA-N 1 0 281.356 2.643 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296498133 381422135 /nfs/dbraw/zinc/42/21/35/381422135.db2.gz OZCCSAWHQIKLNJ-LRDDRELGSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296498139 381422308 /nfs/dbraw/zinc/42/23/08/381422308.db2.gz OZCCSAWHQIKLNJ-WBMJQRKESA-N 1 0 292.379 2.970 20 5 CFBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000342602291 381427923 /nfs/dbraw/zinc/42/79/23/381427923.db2.gz LXEBQALGWUDOCL-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000347973595 381438926 /nfs/dbraw/zinc/43/89/26/381438926.db2.gz DGNLOSPOICDGFA-ZDUSSCGKSA-N 1 0 297.330 2.793 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000290510308 381458160 /nfs/dbraw/zinc/45/81/60/381458160.db2.gz FCTVUXMCMJADEY-LBPRGKRZSA-N 1 0 295.383 2.883 20 5 CFBDRO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521893 381463423 /nfs/dbraw/zinc/46/34/23/381463423.db2.gz QBOLFXUIYXMWMG-HIFRSBDPSA-N 1 0 291.395 2.675 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296640870 381486246 /nfs/dbraw/zinc/48/62/46/381486246.db2.gz XZZHBIDNBCNUTO-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000371064464 381541491 /nfs/dbraw/zinc/54/14/91/381541491.db2.gz LQUXHBVDOHBVTH-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000348356236 381528632 /nfs/dbraw/zinc/52/86/32/381528632.db2.gz XJLSEDOSZXLYAS-DGCLKSJQSA-N 1 0 292.383 2.607 20 5 CFBDRO COc1cccc(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000185182004 381555521 /nfs/dbraw/zinc/55/55/21/381555521.db2.gz AVXFIVQFEQIOMN-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185217218 381566245 /nfs/dbraw/zinc/56/62/45/381566245.db2.gz PQIMUYCLEGAAKU-LLVKDONJSA-N 1 0 290.319 2.667 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348521343 381606063 /nfs/dbraw/zinc/60/60/63/381606063.db2.gz PKYHUVOFDUBFGH-ZYHUDNBSSA-N 1 0 286.278 2.845 20 5 CFBDRO Cc1cc(N[C@@H](C)Cn2ccnc2)c(F)cc1[N+](=O)[O-] ZINC000290888007 381586227 /nfs/dbraw/zinc/58/62/27/381586227.db2.gz CMVSAAGVEFUDAM-JTQLQIEISA-N 1 0 278.287 2.739 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000298364843 381593581 /nfs/dbraw/zinc/59/35/81/381593581.db2.gz ACLCCFUDWSLWLN-LBPRGKRZSA-N 1 0 293.367 2.534 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000355114458 381621916 /nfs/dbraw/zinc/62/19/16/381621916.db2.gz UTZHBQCDDLOCRR-BNEDENDOSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)OC ZINC000291012940 381631098 /nfs/dbraw/zinc/63/10/98/381631098.db2.gz BHKKLOVBIQKJRU-GFCCVEGCSA-N 1 0 266.341 2.760 20 5 CFBDRO CCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000359850926 381639879 /nfs/dbraw/zinc/63/98/79/381639879.db2.gz ZRNXGZBZTMFCLA-UHFFFAOYSA-N 1 0 281.331 2.574 20 5 CFBDRO Cc1c(C[NH2+]Cc2ccnn2C(C)C)cccc1[N+](=O)[O-] ZINC000355184572 381661774 /nfs/dbraw/zinc/66/17/74/381661774.db2.gz WYVJYPXVMDVLLM-UHFFFAOYSA-N 1 0 288.351 2.970 20 5 CFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655800 381695411 /nfs/dbraw/zinc/69/54/11/381695411.db2.gz KSPVCEZJGKSWRQ-UGFHNGPFSA-N 1 0 278.352 2.749 20 5 CFBDRO [NH3+]CCN(CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000348892346 381755965 /nfs/dbraw/zinc/75/59/65/381755965.db2.gz ILIOQLVEWLNYGD-UHFFFAOYSA-N 1 0 277.368 2.940 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292208808 381795036 /nfs/dbraw/zinc/79/50/36/381795036.db2.gz TVCQBWKKKIQGTP-CZUORRHYSA-N 1 0 289.379 2.683 20 5 CFBDRO CC/C=C/CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343558600 381796108 /nfs/dbraw/zinc/79/61/08/381796108.db2.gz WWUDVJLPDDJYFF-ONEGZZNKSA-N 1 0 261.325 2.704 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H]3CCCCC[C@@H]32)c1 ZINC000372148508 381763922 /nfs/dbraw/zinc/76/39/22/381763922.db2.gz GTAPIVBJSOOIOG-VNQPRFMTSA-N 1 0 290.363 2.893 20 5 CFBDRO Cc1cc(NC(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000415420534 381842456 /nfs/dbraw/zinc/84/24/56/381842456.db2.gz SSEZOMHRDGVQNV-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000361237419 381811966 /nfs/dbraw/zinc/81/19/66/381811966.db2.gz KHMQZABVBYCROB-GFCCVEGCSA-N 1 0 284.743 2.859 20 5 CFBDRO CC[C@@H]1CCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292886911 381885286 /nfs/dbraw/zinc/88/52/86/381885286.db2.gz YKKGTQYBRXHAPF-LLVKDONJSA-N 1 0 280.324 2.596 20 5 CFBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000292910864 381898936 /nfs/dbraw/zinc/89/89/36/381898936.db2.gz HKNBVVVFLMJSBR-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000292921440 381902733 /nfs/dbraw/zinc/90/27/33/381902733.db2.gz GGALENMARAKEIQ-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293035186 381961394 /nfs/dbraw/zinc/96/13/94/381961394.db2.gz RWJNGGDFJSNXCY-MRXNPFEDSA-N 1 0 289.379 2.513 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293050775 381969030 /nfs/dbraw/zinc/96/90/30/381969030.db2.gz HUGJJYWSISEUAR-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(C3CC3)C2)ccc1Cl ZINC000373298912 381974751 /nfs/dbraw/zinc/97/47/51/381974751.db2.gz LBWLGLYOTWRRPL-CQSZACIVSA-N 1 0 296.754 2.595 20 5 CFBDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343984252 382048878 /nfs/dbraw/zinc/04/88/78/382048878.db2.gz UTHROUSQLWGUPZ-RYUDHWBXSA-N 1 0 286.335 2.667 20 5 CFBDRO O=[N+]([O-])c1cc(CNC2CC[NH+](C3CCC3)CC2)cs1 ZINC000299667353 382020676 /nfs/dbraw/zinc/02/06/76/382020676.db2.gz XOAGVUSNNIQZRL-UHFFFAOYSA-N 1 0 295.408 2.763 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929416 382025142 /nfs/dbraw/zinc/02/51/42/382025142.db2.gz QMNDMINPYUPYOX-ABAIWWIYSA-N 1 0 277.368 2.586 20 5 CFBDRO Cc1ccnc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301265830 382128058 /nfs/dbraw/zinc/12/80/58/382128058.db2.gz GMCWOJKMBBMVTD-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000293407448 382111721 /nfs/dbraw/zinc/11/17/21/382111721.db2.gz YQGISUHYTBHBQE-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000301074137 382074658 /nfs/dbraw/zinc/07/46/58/382074658.db2.gz GICCBMWRDQYQFX-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362454875 382079475 /nfs/dbraw/zinc/07/94/75/382079475.db2.gz RBAJXNZJXBTWCT-FZMZJTMJSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000301121695 382086452 /nfs/dbraw/zinc/08/64/52/382086452.db2.gz YDPMICALDXBTOX-UPJWGTAASA-N 1 0 292.383 2.768 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000187070216 382090712 /nfs/dbraw/zinc/09/07/12/382090712.db2.gz OZASYKWFRVDGCI-CJYSPXJISA-N 1 0 276.336 2.813 20 5 CFBDRO COc1cc(C[N@H+](C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000351970647 382099217 /nfs/dbraw/zinc/09/92/17/382099217.db2.gz GPHXALLFYRVXIW-UHFFFAOYSA-N 1 0 264.325 2.976 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000301602104 382180987 /nfs/dbraw/zinc/18/09/87/382180987.db2.gz VYNRZXCFFDUSRL-NWDGAFQWSA-N 1 0 263.341 2.880 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187575933 382216339 /nfs/dbraw/zinc/21/63/39/382216339.db2.gz JWBCLQBNESGPAM-MRXNPFEDSA-N 1 0 292.379 2.622 20 5 CFBDRO COCC1=CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000187623762 382227629 /nfs/dbraw/zinc/22/76/29/382227629.db2.gz BUFSUZGGLILROC-UHFFFAOYSA-N 1 0 276.336 2.682 20 5 CFBDRO CC[N@H+](C[C@H](C)O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222227 382232972 /nfs/dbraw/zinc/23/29/72/382232972.db2.gz PXAJXHIHIIPVLV-NWDGAFQWSA-N 1 0 266.341 2.667 20 5 CFBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC=CCC2)ccc2ncccc21 ZINC000357685661 382278683 /nfs/dbraw/zinc/27/86/83/382278683.db2.gz NMTRJIRUHJYVPF-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO CSC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000187843376 382280604 /nfs/dbraw/zinc/28/06/04/382280604.db2.gz TWLHGQZYJAWJNB-AWEZNQCLSA-N 1 0 298.408 2.529 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CCOC1 ZINC000344269761 382242270 /nfs/dbraw/zinc/24/22/70/382242270.db2.gz MPHKVQBCAWREHS-DXTPNHAXSA-N 1 0 276.336 2.624 20 5 CFBDRO CC[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000419246300 382259164 /nfs/dbraw/zinc/25/91/64/382259164.db2.gz WCPPNLMYXKZPEY-AWEZNQCLSA-N 1 0 278.352 2.984 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000357759588 382308618 /nfs/dbraw/zinc/30/86/18/382308618.db2.gz NLAXLZNIDQCUQF-HNNXBMFYSA-N 1 0 278.352 2.579 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000352404171 382310988 /nfs/dbraw/zinc/31/09/88/382310988.db2.gz DLRFBMGJFLUWAP-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CN(c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000302788635 382319639 /nfs/dbraw/zinc/31/96/39/382319639.db2.gz XOXINGPGKOVGOY-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO CCOc1cccc(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420293867 382345095 /nfs/dbraw/zinc/34/50/95/382345095.db2.gz YHQKTGLRVSQPJW-RYUDHWBXSA-N 1 0 293.367 2.923 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420286666 382342067 /nfs/dbraw/zinc/34/20/67/382342067.db2.gz QOYBZBYBMJCNTN-NWDGAFQWSA-N 1 0 263.341 2.833 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000188124858 382349990 /nfs/dbraw/zinc/34/99/90/382349990.db2.gz VGPPVTKSDBRVAL-GHMZBOCLSA-N 1 0 282.340 2.679 20 5 CFBDRO COC(C)(C)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352569953 382398104 /nfs/dbraw/zinc/39/81/04/382398104.db2.gz ADPJNPIHXVYMAL-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420365756 382388064 /nfs/dbraw/zinc/38/80/64/382388064.db2.gz LMJQWRLFDUSATB-WFGGJUAMSA-N 1 0 291.395 2.940 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188117209 382348478 /nfs/dbraw/zinc/34/84/78/382348478.db2.gz GJUWYQFRFIYJQL-KOLCDFICSA-N 1 0 252.314 2.589 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC2)CC1 ZINC000378325648 382434778 /nfs/dbraw/zinc/43/47/78/382434778.db2.gz GYLSTIYQUCNVTH-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO CC[C@@H](F)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570310 382399731 /nfs/dbraw/zinc/39/97/31/382399731.db2.gz FUUFORCQUJKTAE-GFCCVEGCSA-N 1 0 254.305 2.817 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304451886 382410223 /nfs/dbraw/zinc/41/02/23/382410223.db2.gz OMZUQZXSLICRQQ-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304451887 382410316 /nfs/dbraw/zinc/41/03/16/382410316.db2.gz OMZUQZXSLICRQQ-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000304446817 382410677 /nfs/dbraw/zinc/41/06/77/382410677.db2.gz KXAAHLHPWHBWSU-TUKIKUTGSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352608816 382414824 /nfs/dbraw/zinc/41/48/24/382414824.db2.gz OUURYFBJSOULQF-AAEUAGOBSA-N 1 0 294.326 2.592 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358148575 382470898 /nfs/dbraw/zinc/47/08/98/382470898.db2.gz DNIUKWPMXHILOS-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000305864815 382450172 /nfs/dbraw/zinc/45/01/72/382450172.db2.gz MRUQABXWLAPLBU-AVGNSLFASA-N 1 0 278.352 2.667 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000346669819 382463923 /nfs/dbraw/zinc/46/39/23/382463923.db2.gz IZBWPOBOTXPHDH-AWEZNQCLSA-N 1 0 291.395 2.902 20 5 CFBDRO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352754878 382468851 /nfs/dbraw/zinc/46/88/51/382468851.db2.gz KQTXQGMOCRZCRX-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1ccc(C[NH2+]CCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358176584 382487726 /nfs/dbraw/zinc/48/77/26/382487726.db2.gz WTUZBRORADXWDF-UHFFFAOYSA-N 1 0 289.379 2.645 20 5 CFBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358203310 382503936 /nfs/dbraw/zinc/50/39/36/382503936.db2.gz NPJQYAIEYCCQQK-YPMHNXCESA-N 1 0 296.367 2.605 20 5 CFBDRO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000312385761 382513681 /nfs/dbraw/zinc/51/36/81/382513681.db2.gz MZHWZTNPJPMIJT-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421399442 382517676 /nfs/dbraw/zinc/51/76/76/382517676.db2.gz PYVKCXFAHCRCFM-CQSZACIVSA-N 1 0 292.379 2.888 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189103663 382543828 /nfs/dbraw/zinc/54/38/28/382543828.db2.gz ZYGMYEIAHWGTRU-DTWKUNHWSA-N 1 0 272.732 2.761 20 5 CFBDRO CC[NH+]1CCC(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000383518751 382544342 /nfs/dbraw/zinc/54/43/42/382544342.db2.gz HHGOVHJCCPRCSJ-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000358281277 382544554 /nfs/dbraw/zinc/54/45/54/382544554.db2.gz ARJQRUXFPXZZPK-UHFFFAOYSA-N 1 0 294.351 2.725 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189107807 382545720 /nfs/dbraw/zinc/54/57/20/382545720.db2.gz ZUHLUTNPJIRGMX-IUCAKERBSA-N 1 0 272.732 2.761 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)CCn2cccn2)cccc1[N+](=O)[O-] ZINC000358328991 382571217 /nfs/dbraw/zinc/57/12/17/382571217.db2.gz VRVBXZXBNKZTKM-GFCCVEGCSA-N 1 0 288.351 2.668 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000358360090 382587058 /nfs/dbraw/zinc/58/70/58/382587058.db2.gz VGLJMAHMTBUYMN-ZIAGYGMSSA-N 1 0 294.395 2.914 20 5 CFBDRO C[N@H+](CCc1cscn1)CCc1ccccc1[N+](=O)[O-] ZINC000295263619 382602609 /nfs/dbraw/zinc/60/26/09/382602609.db2.gz IXGRQAIHPMHBLW-UHFFFAOYSA-N 1 0 291.376 2.768 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000388321105 382605905 /nfs/dbraw/zinc/60/59/05/382605905.db2.gz XIEJDNVEYUCOPX-UFBFGSQYSA-N 1 0 270.354 2.559 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749329 382625389 /nfs/dbraw/zinc/62/53/89/382625389.db2.gz FNUGVCIVIZVUHJ-MNOVXSKESA-N 1 0 294.351 2.842 20 5 CFBDRO CO[C@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191150877 382693534 /nfs/dbraw/zinc/69/35/34/382693534.db2.gz URQHWIREFKXIHI-LLVKDONJSA-N 1 0 290.319 2.979 20 5 CFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191645595 382701784 /nfs/dbraw/zinc/70/17/84/382701784.db2.gz BCZZCVPMIPUCHH-INIZCTEOSA-N 1 0 292.379 2.968 20 5 CFBDRO CCC(CC)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000336849529 382735323 /nfs/dbraw/zinc/73/53/23/382735323.db2.gz SEPVSHCAOLQBMX-UHFFFAOYSA-N 1 0 296.367 2.898 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192857773 382712986 /nfs/dbraw/zinc/71/29/86/382712986.db2.gz QAYITDKXFFLWBX-JKSUJKDBSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H](CCCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192949880 382713853 /nfs/dbraw/zinc/71/38/53/382713853.db2.gz NUWZSDIZHJHVSV-XHDPSFHLSA-N 1 0 278.352 2.723 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964791 382714000 /nfs/dbraw/zinc/71/40/00/382714000.db2.gz LVDCBGRENWTVRE-DZGCQCFKSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193086731 382715532 /nfs/dbraw/zinc/71/55/32/382715532.db2.gz YHBYYDUXXDCJAM-DOMZBBRYSA-N 1 0 294.351 2.789 20 5 CFBDRO CC(C)OCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193283411 382717963 /nfs/dbraw/zinc/71/79/63/382717963.db2.gz GPEROMKQGBLSQL-OAHLLOKOSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000193386144 382719463 /nfs/dbraw/zinc/71/94/63/382719463.db2.gz ZSYMRNBULHIMIF-NEPJUHHUSA-N 1 0 292.383 2.709 20 5 CFBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336832485 382726838 /nfs/dbraw/zinc/72/68/38/382726838.db2.gz FMEDKNXCRJKKCA-AWEZNQCLSA-N 1 0 283.347 2.539 20 5 CFBDRO Cc1cccc(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000218845271 382790926 /nfs/dbraw/zinc/79/09/26/382790926.db2.gz JDBIHBSGZJBUKB-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000219251813 382792927 /nfs/dbraw/zinc/79/29/27/382792927.db2.gz ICHGCBJDMXKSTQ-LLVKDONJSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000577097989 382847800 /nfs/dbraw/zinc/84/78/00/382847800.db2.gz NASTZRYSHZVALP-MRXNPFEDSA-N 1 0 292.379 2.668 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000224202639 382809401 /nfs/dbraw/zinc/80/94/01/382809401.db2.gz BDTFDIZHQQKTRL-TZMCWYRMSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000224483333 382811271 /nfs/dbraw/zinc/81/12/71/382811271.db2.gz SJIUJTAHPMMYQW-NSHDSACASA-N 1 0 266.366 2.746 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226331672 382826809 /nfs/dbraw/zinc/82/68/09/382826809.db2.gz NGJYSKKUTIHDSJ-AVGNSLFASA-N 1 0 277.368 2.715 20 5 CFBDRO C[NH2+]CCS[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576820317 382837306 /nfs/dbraw/zinc/83/73/06/382837306.db2.gz RMHJECPZNOTBRU-SNVBAGLBSA-N 1 0 254.355 2.917 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142896 382856076 /nfs/dbraw/zinc/85/60/76/382856076.db2.gz FKTXUSULWYMCDA-CYBMUJFWSA-N 1 0 286.759 2.889 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000230694682 382862684 /nfs/dbraw/zinc/86/26/84/382862684.db2.gz HTFKFDGNYMDBJD-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577528909 382862773 /nfs/dbraw/zinc/86/27/73/382862773.db2.gz KRYPEUDUFGPNME-CWRNSKLLSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC2CCCC2)cs1 ZINC000337782479 382864493 /nfs/dbraw/zinc/86/44/93/382864493.db2.gz BZQYJNBNKVICFM-LBPRGKRZSA-N 1 0 284.381 2.687 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000231691252 382866704 /nfs/dbraw/zinc/86/67/04/382866704.db2.gz OFYLWURMIIKYJP-VHRBIJSZSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCCC2)c(F)c1 ZINC000337838221 382870591 /nfs/dbraw/zinc/87/05/91/382870591.db2.gz YHUVYVSJRUMMCY-CYBMUJFWSA-N 1 0 296.342 2.765 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000578893715 382964817 /nfs/dbraw/zinc/96/48/17/382964817.db2.gz IAZFQVVXVCVTPF-HZMBPMFUSA-N 1 0 284.331 2.621 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441632780 382921683 /nfs/dbraw/zinc/92/16/83/382921683.db2.gz GDTYAWZIRBPKSL-NWDGAFQWSA-N 1 0 294.326 2.592 20 5 CFBDRO CC(C)CC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344304 382996655 /nfs/dbraw/zinc/99/66/55/382996655.db2.gz AFGGNEYDGJJVAI-INIZCTEOSA-N 1 0 294.395 2.866 20 5 CFBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000423012878 383010071 /nfs/dbraw/zinc/01/00/71/383010071.db2.gz DWVSFKOJAPEVDM-FKJOKYEKSA-N 1 0 275.352 2.528 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191631 382969005 /nfs/dbraw/zinc/96/90/05/382969005.db2.gz HKYAYVOYJZKMHB-GWCFXTLKSA-N 1 0 284.381 2.639 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000237783278 382971004 /nfs/dbraw/zinc/97/10/04/382971004.db2.gz SFRUYTMEKVSPHD-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000447901837 383028146 /nfs/dbraw/zinc/02/81/46/383028146.db2.gz IBBBLLMBTNUJHQ-OAHLLOKOSA-N 1 0 291.395 2.805 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000551045016 383034678 /nfs/dbraw/zinc/03/46/78/383034678.db2.gz DBBJGUKQUQXOGB-ZDUSSCGKSA-N 1 0 291.395 2.990 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423369434 383067138 /nfs/dbraw/zinc/06/71/38/383067138.db2.gz CDJVTXCZVYOLHS-PWSUYJOCSA-N 1 0 265.357 2.552 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000423369076 383067561 /nfs/dbraw/zinc/06/75/61/383067561.db2.gz SFNWGZURVUSMNG-OSMZGAPFSA-N 1 0 277.368 2.552 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423375813 383070792 /nfs/dbraw/zinc/07/07/92/383070792.db2.gz IWXRBEFDHXUDHF-BXUZGUMPSA-N 1 0 265.357 2.634 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000246385410 383074120 /nfs/dbraw/zinc/07/41/20/383074120.db2.gz ILUDRMZPNAVJOA-UWVGGRQHSA-N 1 0 275.308 2.966 20 5 CFBDRO C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000423041806 383026724 /nfs/dbraw/zinc/02/67/24/383026724.db2.gz JWNKZJZGYGCFOO-GXFFZTMASA-N 1 0 297.786 2.521 20 5 CFBDRO COc1ccncc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554243066 383127615 /nfs/dbraw/zinc/12/76/15/383127615.db2.gz DRUQNEVWPJVCRN-UHFFFAOYSA-N 1 0 299.330 2.557 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246615767 383086628 /nfs/dbraw/zinc/08/66/28/383086628.db2.gz JQKJOKMGTXOKLY-XHDPSFHLSA-N 1 0 294.326 2.735 20 5 CFBDRO CCN1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449093900 383172368 /nfs/dbraw/zinc/17/23/68/383172368.db2.gz QHYAMBXLBYCZFZ-ZFWWWQNUSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000449269059 383192137 /nfs/dbraw/zinc/19/21/37/383192137.db2.gz LMNCKRLCWPTZPO-UJDVCPFMSA-N 1 0 290.363 2.683 20 5 CFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC12CCC2 ZINC000339130694 383160143 /nfs/dbraw/zinc/16/01/43/383160143.db2.gz ZTEFROPBAYHBAJ-UHFFFAOYSA-N 1 0 262.309 2.819 20 5 CFBDRO Cn1cccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567290448 383260141 /nfs/dbraw/zinc/26/01/41/383260141.db2.gz FMMYOEWHSBKVKD-CQSZACIVSA-N 1 0 271.320 2.710 20 5 CFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH+]1C ZINC000339617339 383263604 /nfs/dbraw/zinc/26/36/04/383263604.db2.gz RZCOJLJPGGEACO-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H](CCCO)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449407098 383272074 /nfs/dbraw/zinc/27/20/74/383272074.db2.gz FLRXVQYYYYBBMP-UKOWJOKBSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC[C@@H]1C ZINC000449322428 383216949 /nfs/dbraw/zinc/21/69/49/383216949.db2.gz PFVMOHYVPQMWEZ-LOWVWBTDSA-N 1 0 280.393 2.867 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCC[C@H]1O ZINC000449331879 383222723 /nfs/dbraw/zinc/22/27/23/383222723.db2.gz PSUOBMBDHNUGCU-JGGQBBKZSA-N 1 0 292.379 2.809 20 5 CFBDRO C[C@H](CCCCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449425080 383284940 /nfs/dbraw/zinc/28/49/40/383284940.db2.gz GRAFMCNLWVVWKE-OYVUYXNMSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H](SCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000339745900 383305245 /nfs/dbraw/zinc/30/52/45/383305245.db2.gz NWABBALTOGJEMR-SNVBAGLBSA-N 1 0 254.355 2.951 20 5 CFBDRO CC/C=C/C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449459646 383306092 /nfs/dbraw/zinc/30/60/92/383306092.db2.gz QRESMUWAWMBEKL-ZYOFXKKJSA-N 1 0 291.351 2.868 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464695804 383313129 /nfs/dbraw/zinc/31/31/29/383313129.db2.gz WJSGQWGGHARNPM-NXEZZACHSA-N 1 0 282.315 2.973 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249051544 383321713 /nfs/dbraw/zinc/32/17/13/383321713.db2.gz OFYLWURMIIKYJP-MPKXVKKWSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cccc1[N+](=O)[O-] ZINC000568363838 383394252 /nfs/dbraw/zinc/39/42/52/383394252.db2.gz OMLIHLIOWDJRJU-OAHLLOKOSA-N 1 0 290.363 2.783 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000251757230 383394845 /nfs/dbraw/zinc/39/48/45/383394845.db2.gz LSPWCCGWOQFEBH-DZGCQCFKSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340277712 383400346 /nfs/dbraw/zinc/40/03/46/383400346.db2.gz MWIQVEPGLPHMIK-BXUZGUMPSA-N 1 0 264.325 2.642 20 5 CFBDRO CO[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000251988155 383402682 /nfs/dbraw/zinc/40/26/82/383402682.db2.gz VUMGHFMAASKFAK-ABAIWWIYSA-N 1 0 278.352 2.760 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449525268 383353000 /nfs/dbraw/zinc/35/30/00/383353000.db2.gz UXRIWALMJQMVOI-UXIGCNINSA-N 1 0 278.352 2.683 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250791814 383379979 /nfs/dbraw/zinc/37/99/79/383379979.db2.gz SAEPOZRSVAQEKG-QWRGUYRKSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672947 383426556 /nfs/dbraw/zinc/42/65/56/383426556.db2.gz FLWWBQAAIPFXNP-RYUDHWBXSA-N 1 0 279.315 2.773 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252733191 383430874 /nfs/dbraw/zinc/43/08/74/383430874.db2.gz YHJNLGRDAZQMOW-FYYVMTAXSA-N 1 0 298.408 2.793 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000252731430 383430993 /nfs/dbraw/zinc/43/09/93/383430993.db2.gz PWXJNRUSYJTCIK-JGRMJRGVSA-N 1 0 298.408 2.711 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000568979980 383455690 /nfs/dbraw/zinc/45/56/90/383455690.db2.gz RMCVVXSBHGUICX-HNNXBMFYSA-N 1 0 283.331 2.979 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429302177 383517143 /nfs/dbraw/zinc/51/71/43/383517143.db2.gz QXLZLNDLSKXUOH-CQSZACIVSA-N 1 0 298.342 2.866 20 5 CFBDRO Cc1cc(NCC[C@H]2CCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000261610256 383528190 /nfs/dbraw/zinc/52/81/90/383528190.db2.gz SJWCWUGFIQOUKO-SNVBAGLBSA-N 1 0 267.304 2.596 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000450953935 383566396 /nfs/dbraw/zinc/56/63/96/383566396.db2.gz MKXMCGAGIYSQAY-LLVKDONJSA-N 1 0 298.774 2.562 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451540285 383638785 /nfs/dbraw/zinc/63/87/85/383638785.db2.gz GLLZJGOFQSELNP-ABAIWWIYSA-N 1 0 278.352 2.760 20 5 CFBDRO CC(C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548769 383642657 /nfs/dbraw/zinc/64/26/57/383642657.db2.gz OIRJQFCPVVONCL-CYBMUJFWSA-N 1 0 278.352 2.545 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000570715278 383628373 /nfs/dbraw/zinc/62/83/73/383628373.db2.gz CNSUDSBOYMJNPG-INIZCTEOSA-N 1 0 290.363 2.638 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])O1 ZINC000453630010 383890853 /nfs/dbraw/zinc/89/08/53/383890853.db2.gz LWSPBCCPSBJLGR-HRLNJXSSSA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1cc[nH+]c(NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000531588772 383894122 /nfs/dbraw/zinc/89/41/22/383894122.db2.gz YIQYPDAJOAIZBE-UHFFFAOYSA-N 1 0 273.292 2.789 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573506955 383942319 /nfs/dbraw/zinc/94/23/19/383942319.db2.gz XUYPREHPQVLARL-GXFFZTMASA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983671 383954689 /nfs/dbraw/zinc/95/46/89/383954689.db2.gz SMVJGUWVZZKOPH-OLZOCXBDSA-N 1 0 277.368 2.587 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438493905 384011984 /nfs/dbraw/zinc/01/19/84/384011984.db2.gz WCAJWXOBQUABLR-GFCCVEGCSA-N 1 0 291.351 2.511 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC1CC1 ZINC000532505938 384039156 /nfs/dbraw/zinc/03/91/56/384039156.db2.gz XXONKDJBSQNLIL-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281108009 195106946 /nfs/dbraw/zinc/10/69/46/195106946.db2.gz BBBJNPBHWHMDQS-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](C)C1 ZINC000266780848 384237376 /nfs/dbraw/zinc/23/73/76/384237376.db2.gz ZUPXWOVHMCAFMJ-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277567218 384340493 /nfs/dbraw/zinc/34/04/93/384340493.db2.gz ZILFZAYGGQDYEJ-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000369462995 285110594 /nfs/dbraw/zinc/11/05/94/285110594.db2.gz ALGUCORQBNEDRB-JKSUJKDBSA-N 1 0 290.363 2.781 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278150286 384484554 /nfs/dbraw/zinc/48/45/54/384484554.db2.gz ABJNWSWAKGSFRH-ABAIWWIYSA-N 1 0 278.352 2.987 20 5 CFBDRO CC(C)(C)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000279694225 384725143 /nfs/dbraw/zinc/72/51/43/384725143.db2.gz GGURWSWFRZSHFA-AWEZNQCLSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268855238 384677817 /nfs/dbraw/zinc/67/78/17/384677817.db2.gz QQLVHAKQRLUKHA-CYBMUJFWSA-N 1 0 286.335 2.794 20 5 CFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCCc3c[nH]nc32)cs1 ZINC000268856888 384677886 /nfs/dbraw/zinc/67/78/86/384677886.db2.gz RBLGXMJXEZQACJ-SNVBAGLBSA-N 1 0 278.337 2.547 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000268932980 384696493 /nfs/dbraw/zinc/69/64/93/384696493.db2.gz SXDYMHHHOFCNBL-ZYHUDNBSSA-N 1 0 265.357 2.504 20 5 CFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268970013 384704314 /nfs/dbraw/zinc/70/43/14/384704314.db2.gz YKRYDWDCXVMJKC-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269002877 384710186 /nfs/dbraw/zinc/71/01/86/384710186.db2.gz KGXQGVVOHHVJCZ-MISXGVKJSA-N 1 0 298.408 2.666 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000269641878 384817568 /nfs/dbraw/zinc/81/75/68/384817568.db2.gz OEEQGUNESUQUEK-CHWSQXEVSA-N 1 0 297.305 2.912 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000269624263 384808392 /nfs/dbraw/zinc/80/83/92/384808392.db2.gz CAFLZPXBKGVITQ-JMSVASOKSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCSC1)CCO2 ZINC000356518192 285142557 /nfs/dbraw/zinc/14/25/57/285142557.db2.gz CWGIWQFCNMOPOL-LLVKDONJSA-N 1 0 294.376 2.542 20 5 CFBDRO Cc1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000269958022 384921163 /nfs/dbraw/zinc/92/11/63/384921163.db2.gz UEUKFLDYFXWAMZ-CQSZACIVSA-N 1 0 289.379 2.825 20 5 CFBDRO C[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000270335021 385060683 /nfs/dbraw/zinc/06/06/83/385060683.db2.gz YERISFFTPFNSDI-HIFRSBDPSA-N 1 0 298.346 2.847 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([NH+]2CCCC2)CC1 ZINC000341730819 285155535 /nfs/dbraw/zinc/15/55/35/285155535.db2.gz ODSQUTPYPVKMNM-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO CC[N@H+](CC(C)(C)O)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270712298 385202080 /nfs/dbraw/zinc/20/20/80/385202080.db2.gz IJCIWFMIWZPYHK-LLVKDONJSA-N 1 0 266.341 2.749 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282457752 385315677 /nfs/dbraw/zinc/31/56/77/385315677.db2.gz JNKNHUYTTFSXII-HNNXBMFYSA-N 1 0 296.342 2.718 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282475407 385321098 /nfs/dbraw/zinc/32/10/98/385321098.db2.gz LAZPMXYCSTXQQK-JSGCOSHPSA-N 1 0 282.315 2.781 20 5 CFBDRO CSCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282474470 385321206 /nfs/dbraw/zinc/32/12/06/385321206.db2.gz OEELMMUTNIMCFW-UHFFFAOYSA-N 1 0 268.382 2.822 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC12CCOCC2 ZINC000368577235 285160146 /nfs/dbraw/zinc/16/01/46/285160146.db2.gz TUGVWHGJGHBWHV-UHFFFAOYSA-N 1 0 276.336 2.740 20 5 CFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282331511 385285505 /nfs/dbraw/zinc/28/55/05/385285505.db2.gz UTGAQNYYSPQGMT-ZFWWWQNUSA-N 1 0 278.352 2.890 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1ccccn1 ZINC000282368447 385295255 /nfs/dbraw/zinc/29/52/55/385295255.db2.gz DYPANDGDEZHMJV-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1 ZINC000282489739 385325671 /nfs/dbraw/zinc/32/56/71/385325671.db2.gz MLWCJRRHHJOQSH-NSHDSACASA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC23CC3)n1 ZINC000417342681 285169043 /nfs/dbraw/zinc/16/90/43/285169043.db2.gz SKLPBBBQZOJWGF-JHJVBQTASA-N 1 0 290.367 2.665 20 5 CFBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](C2CCCC2)CC1 ZINC000267187878 285166961 /nfs/dbraw/zinc/16/69/61/285166961.db2.gz LTNZWYRZSDCCFY-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000283268266 385451125 /nfs/dbraw/zinc/45/11/25/385451125.db2.gz WMCITOCQFIPKOO-CMPLNLGQSA-N 1 0 282.315 2.733 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC=CO1 ZINC000283052428 385429063 /nfs/dbraw/zinc/42/90/63/385429063.db2.gz OVMNBUVFTUSDDP-OAHLLOKOSA-N 1 0 276.336 2.762 20 5 CFBDRO Cn1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000272249519 385486630 /nfs/dbraw/zinc/48/66/30/385486630.db2.gz HYGDMDYYKHWSMP-UHFFFAOYSA-N 1 0 293.754 2.919 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCO[C@@H]21 ZINC000272318881 385508733 /nfs/dbraw/zinc/50/87/33/385508733.db2.gz PZKLVJIRGKPGGZ-YUTCNCBUSA-N 1 0 294.326 2.637 20 5 CFBDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000283904484 385512642 /nfs/dbraw/zinc/51/26/42/385512642.db2.gz DJBQGKYSPGSCGT-NSHDSACASA-N 1 0 264.325 2.551 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284069525 385531491 /nfs/dbraw/zinc/53/14/91/385531491.db2.gz LGJOGUNNIMTEJI-JQWIXIFHSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000272472182 385545456 /nfs/dbraw/zinc/54/54/56/385545456.db2.gz IGTZFTWTCJDPQE-LLVKDONJSA-N 1 0 295.358 2.900 20 5 CFBDRO CC[N@@H+]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272382270 385524859 /nfs/dbraw/zinc/52/48/59/385524859.db2.gz WDOHECVVXCTBBB-CQSZACIVSA-N 1 0 291.395 2.992 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286239592 385576513 /nfs/dbraw/zinc/57/65/13/385576513.db2.gz DEVDGXQEXHSYPL-QYJAPNMZSA-N 1 0 293.342 2.795 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790455 385557996 /nfs/dbraw/zinc/55/79/96/385557996.db2.gz TWBGYTOAVBDTIP-NWDGAFQWSA-N 1 0 266.341 2.931 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272557565 385564268 /nfs/dbraw/zinc/56/42/68/385564268.db2.gz DQWIRDQUKVRJNR-ZBFHGGJFSA-N 1 0 292.379 2.886 20 5 CFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000272583359 385568926 /nfs/dbraw/zinc/56/89/26/385568926.db2.gz SBQVIFLYRGZAFL-UKRRQHHQSA-N 1 0 278.352 2.578 20 5 CFBDRO COCCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000272882537 385640183 /nfs/dbraw/zinc/64/01/83/385640183.db2.gz VUSQNVCHXZQGLA-UHFFFAOYSA-N 1 0 289.335 2.924 20 5 CFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000272900508 385647949 /nfs/dbraw/zinc/64/79/49/385647949.db2.gz IPNIVDMHEOZYRQ-JTQLQIEISA-N 1 0 279.315 2.796 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000286975669 385753515 /nfs/dbraw/zinc/75/35/15/385753515.db2.gz POOGDRDMPLSFNI-AAEUAGOBSA-N 1 0 295.408 2.715 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000287243979 385811063 /nfs/dbraw/zinc/81/10/63/385811063.db2.gz ZAWJRRWEBFXJCQ-CYBMUJFWSA-N 1 0 290.363 2.852 20 5 CFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000288499104 197095470 /nfs/dbraw/zinc/09/54/70/197095470.db2.gz HXGGHEXCNHFDOJ-YGRLFVJLSA-N 1 0 292.360 2.868 20 5 CFBDRO Cc1cc(NCC(C)(C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000276842794 386056631 /nfs/dbraw/zinc/05/66/31/386056631.db2.gz QDQXFYAXIWCHSZ-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CC(C)(CNCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000276729795 386027203 /nfs/dbraw/zinc/02/72/03/386027203.db2.gz VDBVSRIDZATVQI-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO CCOc1cc(C[NH2+]C(C)(C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000276926605 386082119 /nfs/dbraw/zinc/08/21/19/386082119.db2.gz QCJXSBVIIXPLSW-UHFFFAOYSA-N 1 0 296.367 2.633 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1=CCCOC1 ZINC000288404714 197069433 /nfs/dbraw/zinc/06/94/33/197069433.db2.gz IIDRNDNQHJHULE-UHFFFAOYSA-N 1 0 282.727 2.685 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288298612 197045887 /nfs/dbraw/zinc/04/58/87/197045887.db2.gz HXSPNFMMQSSMMM-LBPRGKRZSA-N 1 0 295.358 2.902 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281279871 195178856 /nfs/dbraw/zinc/17/88/56/195178856.db2.gz XKFIGYAZWMQWCP-FZMZJTMJSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426459373 533219671 /nfs/dbraw/zinc/21/96/71/533219671.db2.gz KKNHXJFPPDBXOI-FZMZJTMJSA-N 1 0 276.336 2.978 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414063192 533222813 /nfs/dbraw/zinc/22/28/13/533222813.db2.gz CNAMNJOTBZQOEA-GIPNMCIBSA-N 1 0 264.325 2.738 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281581976 195296585 /nfs/dbraw/zinc/29/65/85/195296585.db2.gz DIJOSWPBYAQEOR-FZMZJTMJSA-N 1 0 264.325 2.594 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282146919 195519479 /nfs/dbraw/zinc/51/94/79/195519479.db2.gz ABIXWRRHLJPSRL-UHFFFAOYSA-N 1 0 296.367 2.634 20 5 CFBDRO COCC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414478175 533303576 /nfs/dbraw/zinc/30/35/76/533303576.db2.gz FGQUTIWPKHOMRV-NSHDSACASA-N 1 0 266.341 2.665 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414204955 533306984 /nfs/dbraw/zinc/30/69/84/533306984.db2.gz OSQVVESULWGAOL-NWDGAFQWSA-N 1 0 266.341 2.918 20 5 CFBDRO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327600 533423853 /nfs/dbraw/zinc/42/38/53/533423853.db2.gz LLWJAZBOFMLEJO-DOMZBBRYSA-N 1 0 277.368 2.635 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190922095 533440222 /nfs/dbraw/zinc/44/02/22/533440222.db2.gz PVKOSCRBVUUUAC-CMPLNLGQSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000341877746 130104240 /nfs/dbraw/zinc/10/42/40/130104240.db2.gz UTLHTZPSLHBMSW-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341983694 130169250 /nfs/dbraw/zinc/16/92/50/130169250.db2.gz UNZFUKQRMUFQSV-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342039546 130252920 /nfs/dbraw/zinc/25/29/20/130252920.db2.gz WARLABQLPQAULF-CABCVRRESA-N 1 0 294.326 2.877 20 5 CFBDRO CSC1(CNc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000357577084 130493470 /nfs/dbraw/zinc/49/34/70/130493470.db2.gz GCLWNZAXNQNBAD-UHFFFAOYSA-N 1 0 295.408 2.834 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000179323838 393463486 /nfs/dbraw/zinc/46/34/86/393463486.db2.gz IKHMYEGHPNJRJS-SNVBAGLBSA-N 1 0 282.340 2.842 20 5 CFBDRO Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000302526378 393492797 /nfs/dbraw/zinc/49/27/97/393492797.db2.gz BPFBFKMZHDKCOQ-UHFFFAOYSA-N 1 0 269.304 2.861 20 5 CFBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182347973 393509041 /nfs/dbraw/zinc/50/90/41/393509041.db2.gz ZDWUMFDHFQZGEJ-GXTWGEPZSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000184518536 393529346 /nfs/dbraw/zinc/52/93/46/393529346.db2.gz LIWSVLOPMAXGBI-ZDUSSCGKSA-N 1 0 292.379 2.668 20 5 CFBDRO COc1ccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000037562440 393532027 /nfs/dbraw/zinc/53/20/27/393532027.db2.gz QDBBQOIAXRTLSC-UHFFFAOYSA-N 1 0 292.360 2.997 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189685914 393575033 /nfs/dbraw/zinc/57/50/33/393575033.db2.gz IGZJKXDUEVOCFX-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411219068 393686930 /nfs/dbraw/zinc/68/69/30/393686930.db2.gz COOPEIVKFHINGO-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227650545 393772870 /nfs/dbraw/zinc/77/28/70/393772870.db2.gz GHNDTLOFAXVAOE-JTQLQIEISA-N 1 0 298.774 2.785 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092938338 393793040 /nfs/dbraw/zinc/79/30/40/393793040.db2.gz YJTJVZQQDGQYGX-SBJJXXPASA-N 1 0 289.379 2.634 20 5 CFBDRO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000470175822 393898635 /nfs/dbraw/zinc/89/86/35/393898635.db2.gz SQHVQZYOUBWYEB-QXIXBFCJSA-N 1 0 290.363 2.701 20 5 CFBDRO COC[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178797 393899329 /nfs/dbraw/zinc/89/93/29/393899329.db2.gz ODSZEVMIECSZKD-NRUITVPNSA-N 1 0 290.363 2.966 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000341809272 393858152 /nfs/dbraw/zinc/85/81/52/393858152.db2.gz NVPAPPLVYSYVPY-GFCCVEGCSA-N 1 0 266.341 2.950 20 5 CFBDRO Cc1c(CSCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000120225264 393931156 /nfs/dbraw/zinc/93/11/56/393931156.db2.gz ZAOMQJFAZWKTIR-UHFFFAOYSA-N 1 0 254.355 2.698 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548310 393932387 /nfs/dbraw/zinc/93/23/87/393932387.db2.gz PYEAFUUMGYGPRW-NOLJZWGESA-N 1 0 289.379 2.872 20 5 CFBDRO C[NH+](C)CCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297707 393949001 /nfs/dbraw/zinc/94/90/01/393949001.db2.gz JHKZQOPHGBWMSA-MRXNPFEDSA-N 1 0 291.395 2.904 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000352611077 394016473 /nfs/dbraw/zinc/01/64/73/394016473.db2.gz CDXHNWQFGHFRFW-LLVKDONJSA-N 1 0 284.331 2.979 20 5 CFBDRO COCCCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418139404 394019043 /nfs/dbraw/zinc/01/90/43/394019043.db2.gz UOBYJCWSNSTKOV-CLFYSBASSA-N 1 0 278.352 2.966 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000430081514 393956536 /nfs/dbraw/zinc/95/65/36/393956536.db2.gz XKUFRFOUTDLKLI-VDDIYKPWSA-N 1 0 274.324 2.605 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290292986 285571314 /nfs/dbraw/zinc/57/13/14/285571314.db2.gz YDTMLKWXRKLSNV-MXWKQRLJSA-N 1 0 252.314 2.669 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000122038421 393963174 /nfs/dbraw/zinc/96/31/74/393963174.db2.gz QASYKWGSQANPGV-GFCCVEGCSA-N 1 0 266.366 2.888 20 5 CFBDRO Cc1cc(N[C@H](C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122213176 393966186 /nfs/dbraw/zinc/96/61/86/393966186.db2.gz UEFPOEIGXMSIMO-LLVKDONJSA-N 1 0 288.351 2.813 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430210430 393969222 /nfs/dbraw/zinc/96/92/22/393969222.db2.gz UMABXOCCVKHMLM-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000430218020 393969800 /nfs/dbraw/zinc/96/98/00/393969800.db2.gz KWIPYBZFBZFOBT-AAEUAGOBSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H]1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000123029417 393974861 /nfs/dbraw/zinc/97/48/61/393974861.db2.gz KNUFDNFSWPGNGK-QWRGUYRKSA-N 1 0 264.325 2.640 20 5 CFBDRO C[C@@H]1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000123039668 393975435 /nfs/dbraw/zinc/97/54/35/393975435.db2.gz UDGFFAKLTJGNEA-GHMZBOCLSA-N 1 0 264.325 2.640 20 5 CFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128820 393976144 /nfs/dbraw/zinc/97/61/44/393976144.db2.gz WWMWOOSYSXACEW-GXTWGEPZSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628100 393988017 /nfs/dbraw/zinc/98/80/17/393988017.db2.gz LTINNWYMWJPVBG-PWSUYJOCSA-N 1 0 281.331 2.510 20 5 CFBDRO CC(C)(C)CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000123983543 393990016 /nfs/dbraw/zinc/99/00/16/393990016.db2.gz AHIIOMYYZYTUPQ-UHFFFAOYSA-N 1 0 266.341 2.999 20 5 CFBDRO CC[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000125709037 394011635 /nfs/dbraw/zinc/01/16/35/394011635.db2.gz UZUMRAUFEUSYAK-LBPRGKRZSA-N 1 0 291.351 2.574 20 5 CFBDRO COCC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000127143839 394044345 /nfs/dbraw/zinc/04/43/45/394044345.db2.gz XGBJPMBCYDUJJP-UHFFFAOYSA-N 1 0 266.341 2.796 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@H]2CCOC2)C2CC2)c1 ZINC000437579429 394060655 /nfs/dbraw/zinc/06/06/55/394060655.db2.gz QWWZCOPPLKVEHC-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000128218856 394065886 /nfs/dbraw/zinc/06/58/86/394065886.db2.gz PGGJKQBUUWTWBR-WCQYABFASA-N 1 0 266.341 2.715 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492434371 394068250 /nfs/dbraw/zinc/06/82/50/394068250.db2.gz CGVPSGHFANVAOD-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO C[NH2+]CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420160347 394086484 /nfs/dbraw/zinc/08/64/84/394086484.db2.gz UNQOXZPPMZCKRP-UHFFFAOYSA-N 1 0 264.112 2.533 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000420282307 394115747 /nfs/dbraw/zinc/11/57/47/394115747.db2.gz MXDHHVQRLSRKQT-PDUMLCJASA-N 1 0 296.758 2.571 20 5 CFBDRO CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000282359316 394124033 /nfs/dbraw/zinc/12/40/33/394124033.db2.gz NCWRSKDKABAHEJ-WFASDCNBSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420938676 394130907 /nfs/dbraw/zinc/13/09/07/394130907.db2.gz KXKYGCJVERAKED-JHJVBQTASA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360030922 394144381 /nfs/dbraw/zinc/14/43/81/394144381.db2.gz JYQTXWVRCCXAHI-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047726 394144510 /nfs/dbraw/zinc/14/45/10/394144510.db2.gz NFQVTHLKXBSBHS-NEPJUHHUSA-N 1 0 295.358 2.961 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285765505 394146196 /nfs/dbraw/zinc/14/61/96/394146196.db2.gz ZRYAHCWEAGIQOB-AWEZNQCLSA-N 1 0 264.325 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000421043927 394168082 /nfs/dbraw/zinc/16/80/82/394168082.db2.gz RMAKMGSYNWEGJE-CYBMUJFWSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000421367002 394204541 /nfs/dbraw/zinc/20/45/41/394204541.db2.gz ASTRGSBKSSYRGU-JTQLQIEISA-N 1 0 282.340 2.748 20 5 CFBDRO CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928185 394206769 /nfs/dbraw/zinc/20/67/69/394206769.db2.gz GQMKYXMDIMDGQY-VXGBXAGGSA-N 1 0 293.367 2.888 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110364 394216544 /nfs/dbraw/zinc/21/65/44/394216544.db2.gz CKDBRABJDOBSPQ-RYUDHWBXSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000135686970 394225007 /nfs/dbraw/zinc/22/50/07/394225007.db2.gz WUBQMGZSEUFRCW-NSHDSACASA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449159974 394234959 /nfs/dbraw/zinc/23/49/59/394234959.db2.gz KCMKDJXSOGGGCY-IVMMDQJWSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163279 394236271 /nfs/dbraw/zinc/23/62/71/394236271.db2.gz VUWJWCPVTYQHDN-GXTWGEPZSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164181 394237034 /nfs/dbraw/zinc/23/70/34/394237034.db2.gz YMSRCKAEFSJPQO-CHWSQXEVSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000449194199 394248658 /nfs/dbraw/zinc/24/86/58/394248658.db2.gz OWKFTXDCZFMUJN-SWLSCSKDSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000421882976 394248809 /nfs/dbraw/zinc/24/88/09/394248809.db2.gz SISOJVVMUJKZNJ-RISCZKNCSA-N 1 0 278.352 2.678 20 5 CFBDRO Cc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000150108728 394249853 /nfs/dbraw/zinc/24/98/53/394249853.db2.gz XCMIZXWXNZQJDJ-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000449208888 394252543 /nfs/dbraw/zinc/25/25/43/394252543.db2.gz PXRHPUKEXIIDQR-DJSGYFEHSA-N 1 0 290.363 2.683 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCCO ZINC000449211816 394253268 /nfs/dbraw/zinc/25/32/68/394253268.db2.gz YGIGUERQVLFWOM-CYBMUJFWSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000449216403 394254535 /nfs/dbraw/zinc/25/45/35/394254535.db2.gz RYUXJDSRDFECKP-YRGRVCCFSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000449230039 394260158 /nfs/dbraw/zinc/26/01/58/394260158.db2.gz GYUZLVJJYFXKCY-NFAWXSAZSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000292679038 394276171 /nfs/dbraw/zinc/27/61/71/394276171.db2.gz RAEIWARYLYTFFW-OAHLLOKOSA-N 1 0 280.368 2.822 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000369213061 394278948 /nfs/dbraw/zinc/27/89/48/394278948.db2.gz FGULUQRWYPDUKH-DZGCQCFKSA-N 1 0 276.336 2.514 20 5 CFBDRO C[NH+](C)CCSCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000157735376 394349638 /nfs/dbraw/zinc/34/96/38/394349638.db2.gz CLTPKSABHKRQRY-UHFFFAOYSA-N 1 0 281.337 2.531 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@](C)(F)C1 ZINC000451119267 394359733 /nfs/dbraw/zinc/35/97/33/394359733.db2.gz ZTBZGAPHOTUNRZ-AWEZNQCLSA-N 1 0 282.315 2.927 20 5 CFBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878480 394379889 /nfs/dbraw/zinc/37/98/89/394379889.db2.gz JRXKHZVGCSLYDF-OCCSQVGLSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000178172182 394386546 /nfs/dbraw/zinc/38/65/46/394386546.db2.gz XCOLLKDOWXBVNM-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000536357380 394555137 /nfs/dbraw/zinc/55/51/37/394555137.db2.gz ZEJLZFXGLYQXEQ-AGIUHOORSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000548487726 394935365 /nfs/dbraw/zinc/93/53/65/394935365.db2.gz PNGNKNSQDWVASF-GXTWGEPZSA-N 1 0 280.372 2.740 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(O)CCC1 ZINC000556112976 394991523 /nfs/dbraw/zinc/99/15/23/394991523.db2.gz JGXSDGZYWWTJGW-GFCCVEGCSA-N 1 0 278.352 2.859 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000555148166 394966574 /nfs/dbraw/zinc/96/65/74/394966574.db2.gz IQQTYZIPENQUFB-SNVBAGLBSA-N 1 0 298.362 2.848 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438199 394973483 /nfs/dbraw/zinc/97/34/83/394973483.db2.gz CKSLUARYJRNDPW-GXTWGEPZSA-N 1 0 291.395 2.896 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573374 395064938 /nfs/dbraw/zinc/06/49/38/395064938.db2.gz JZDFHNVHVRWEAJ-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558699339 395072154 /nfs/dbraw/zinc/07/21/54/395072154.db2.gz INEQHUYBPRYFOJ-NWANDNLSSA-N 1 0 260.337 2.916 20 5 CFBDRO CC[N@H+](CCNc1c(OC)cccc1[N+](=O)[O-])C(C)C ZINC000578786827 395096529 /nfs/dbraw/zinc/09/65/29/395096529.db2.gz WEYSHVOESQCRNX-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H]2F)n1 ZINC000340521898 296518847 /nfs/dbraw/zinc/51/88/47/296518847.db2.gz GQZXLDARYFLRLY-MROQNXINSA-N 1 0 296.346 2.755 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692003 397577044 /nfs/dbraw/zinc/57/70/44/397577044.db2.gz OWGOKCCMJHBSFG-STQMWFEESA-N 1 0 279.384 2.976 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268838899 285951423 /nfs/dbraw/zinc/95/14/23/285951423.db2.gz MGIAFVMNUBGZQI-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000356850384 155395109 /nfs/dbraw/zinc/39/51/09/155395109.db2.gz QFKYTOHMMLNNAY-OCCSQVGLSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071785 292297013 /nfs/dbraw/zinc/29/70/13/292297013.db2.gz RZSMUPHHMYBWRD-SCDSUCTJSA-N 1 0 278.352 2.667 20 5 CFBDRO CCOc1cc(N2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343250054 154154372 /nfs/dbraw/zinc/15/43/72/154154372.db2.gz LRYBBFLLPFRUMS-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000348114730 154325715 /nfs/dbraw/zinc/32/57/15/154325715.db2.gz UKECLLXAVDDGLB-ZWNOBZJWSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000348274982 154390460 /nfs/dbraw/zinc/39/04/60/154390460.db2.gz MBDIUJIFUNQTKH-UKRRQHHQSA-N 1 0 280.368 2.900 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCCO1 ZINC000348283862 154394653 /nfs/dbraw/zinc/39/46/53/154394653.db2.gz YYKSDVVJHIVCFZ-JSGCOSHPSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000355600903 155050901 /nfs/dbraw/zinc/05/09/01/155050901.db2.gz REAXGSXDZBDDHD-QWRGUYRKSA-N 1 0 294.351 2.835 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355746911 155074620 /nfs/dbraw/zinc/07/46/20/155074620.db2.gz WPYDAGABMPPYLO-DGCLKSJQSA-N 1 0 294.351 2.508 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044656668 292322386 /nfs/dbraw/zinc/32/23/86/292322386.db2.gz SLUCLTRLHIQBMI-NSHDSACASA-N 1 0 252.314 2.672 20 5 CFBDRO CC1CCC2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000363124712 156150802 /nfs/dbraw/zinc/15/08/02/156150802.db2.gz ZLTTYZQDMIUFQF-UHFFFAOYSA-N 1 0 292.383 2.694 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367047731 156271175 /nfs/dbraw/zinc/27/11/75/156271175.db2.gz MGXKEECTGVJEFK-OAHLLOKOSA-N 1 0 276.336 2.658 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000373897115 157042663 /nfs/dbraw/zinc/04/26/63/157042663.db2.gz JJXNWULYPQUQQN-DZGCQCFKSA-N 1 0 276.336 2.514 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000373988232 157053029 /nfs/dbraw/zinc/05/30/29/157053029.db2.gz UUYOLRKVJFOPSQ-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000374302998 157096215 /nfs/dbraw/zinc/09/62/15/157096215.db2.gz RJPWJIJLZUQCHX-CYBMUJFWSA-N 1 0 276.336 2.706 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000375102840 157196967 /nfs/dbraw/zinc/19/69/67/157196967.db2.gz XPILENRPPDVBJF-OAHLLOKOSA-N 1 0 292.379 2.886 20 5 CFBDRO COC[C@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000375102838 157197013 /nfs/dbraw/zinc/19/70/13/157197013.db2.gz XPILENRPPDVBJF-HNNXBMFYSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000375707644 157272230 /nfs/dbraw/zinc/27/22/30/157272230.db2.gz ZWTRNYPMZKZNTB-DZGCQCFKSA-N 1 0 276.336 2.514 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CC2)C1 ZINC000408173877 157384178 /nfs/dbraw/zinc/38/41/78/157384178.db2.gz DXKAVLIUGOKDRJ-GFCCVEGCSA-N 1 0 276.336 2.768 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344440083 162043745 /nfs/dbraw/zinc/04/37/45/162043745.db2.gz UELHMSOSLUTADR-CYBMUJFWSA-N 1 0 278.356 2.666 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C(C)C ZINC000344790474 162121843 /nfs/dbraw/zinc/12/18/43/162121843.db2.gz JCTIJBVGQNQNSX-WASHYIJTSA-N 1 0 278.352 2.605 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H](C)O ZINC000344796990 162123622 /nfs/dbraw/zinc/12/36/22/162123622.db2.gz PBPBAHZZSDYSJH-CUOXCHRPSA-N 1 0 278.352 2.747 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCOC1 ZINC000344819618 162128137 /nfs/dbraw/zinc/12/81/37/162128137.db2.gz GRMNQMRUKBZGBS-WEKMIXOTSA-N 1 0 276.336 2.624 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C(C)C ZINC000344883001 162140223 /nfs/dbraw/zinc/14/02/23/162140223.db2.gz RZTADDYXVZKUBM-WQMJKPAKSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CCO ZINC000344882743 162140989 /nfs/dbraw/zinc/14/09/89/162140989.db2.gz XUYHZWCDSWLWCS-OXBCTQFSSA-N 1 0 278.352 2.606 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000345174295 162194236 /nfs/dbraw/zinc/19/42/36/162194236.db2.gz ONXFAIBWRFCNPR-VXGBXAGGSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346184187 162345292 /nfs/dbraw/zinc/34/52/92/162345292.db2.gz KYYJBHSSPVYLSN-QWHCGFSZSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)O ZINC000349210124 162950343 /nfs/dbraw/zinc/95/03/43/162950343.db2.gz RTQMBXSGHLWBRT-NWDGAFQWSA-N 1 0 298.408 2.826 20 5 CFBDRO COC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349974972 163045519 /nfs/dbraw/zinc/04/55/19/163045519.db2.gz MYWLMXAMVVFQOZ-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350119348 163061083 /nfs/dbraw/zinc/06/10/83/163061083.db2.gz ZDZZQPDWIBNFRK-SWLSCSKDSA-N 1 0 280.368 2.790 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000352690379 163223266 /nfs/dbraw/zinc/22/32/66/163223266.db2.gz DLRRCGDJYGPEIO-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCC2)c(F)c1 ZINC000352902008 163266683 /nfs/dbraw/zinc/26/66/83/163266683.db2.gz YVFIKUQETBKPBK-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000353135011 163312787 /nfs/dbraw/zinc/31/27/87/163312787.db2.gz XBOREBMLFOCHFF-HNNXBMFYSA-N 1 0 298.342 2.997 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CC1 ZINC000353514744 163383366 /nfs/dbraw/zinc/38/33/66/163383366.db2.gz UZRVJJFJPUWMGE-IUODEOHRSA-N 1 0 292.379 2.524 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000287195085 287056657 /nfs/dbraw/zinc/05/66/57/287056657.db2.gz WAMSNLOFSCXRQH-KCPJHIHWSA-N 1 0 278.352 2.939 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295273995 287070105 /nfs/dbraw/zinc/07/01/05/287070105.db2.gz SFMPGOQGIOQKHZ-MFKMUULPSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284313496 196027040 /nfs/dbraw/zinc/02/70/40/196027040.db2.gz ZJNBQTGWNKBFMA-LLVKDONJSA-N 1 0 293.367 2.644 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000020121669 171000997 /nfs/dbraw/zinc/00/09/97/171000997.db2.gz KPNUFNRELYLENP-NSHDSACASA-N 1 0 257.293 2.841 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126023 171009838 /nfs/dbraw/zinc/00/98/38/171009838.db2.gz LHGLTUTUVDWQHT-NSHDSACASA-N 1 0 265.357 2.586 20 5 CFBDRO CC(C)C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000020201778 171066400 /nfs/dbraw/zinc/06/64/00/171066400.db2.gz QWSFCHKJDMKCKS-OAHLLOKOSA-N 1 0 279.384 2.661 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000020208882 171073105 /nfs/dbraw/zinc/07/31/05/171073105.db2.gz VGHCYRMVDNDIJV-WDMOLILDSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284651875 196103934 /nfs/dbraw/zinc/10/39/34/196103934.db2.gz GCBRGNVCPANYSD-CABCVRRESA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284651878 196104173 /nfs/dbraw/zinc/10/41/73/196104173.db2.gz GCBRGNVCPANYSD-GJZGRUSLSA-N 1 0 276.336 2.738 20 5 CFBDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000020526324 171239463 /nfs/dbraw/zinc/23/94/63/171239463.db2.gz ZSGAXSPECGOMCK-GFCCVEGCSA-N 1 0 274.324 2.532 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000284944094 196161630 /nfs/dbraw/zinc/16/16/30/196161630.db2.gz WSSWLZUPOLDUOJ-LSDHHAIUSA-N 1 0 294.326 2.877 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000284944087 196162332 /nfs/dbraw/zinc/16/23/32/196162332.db2.gz WSSWLZUPOLDUOJ-HUUCEWRRSA-N 1 0 294.326 2.877 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000035258548 172090379 /nfs/dbraw/zinc/09/03/79/172090379.db2.gz JSGZPYCFAAQNBC-HNNXBMFYSA-N 1 0 293.411 2.969 20 5 CFBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000285248512 196231379 /nfs/dbraw/zinc/23/13/79/196231379.db2.gz HAAYIEBHKBTKKO-CQSZACIVSA-N 1 0 278.352 2.638 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000285437928 196285082 /nfs/dbraw/zinc/28/50/82/196285082.db2.gz FOPJKXMRMCNBFZ-HNNXBMFYSA-N 1 0 294.351 2.652 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447682 196287078 /nfs/dbraw/zinc/28/70/78/196287078.db2.gz ZHYHPMPLBQUZSW-NSHDSACASA-N 1 0 295.383 2.626 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000037267022 173077171 /nfs/dbraw/zinc/07/71/71/173077171.db2.gz FCLNCTAKVPKOCY-GFCCVEGCSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@@H](CNCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038028740 174018726 /nfs/dbraw/zinc/01/87/26/174018726.db2.gz VUXWVOWCRVOHFS-ZDUSSCGKSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038096055 174110195 /nfs/dbraw/zinc/11/01/95/174110195.db2.gz MYXLIPBWKXPRNY-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO O=[N+]([O-])c1cccc(CNCC[NH+]2CCCCCC2)c1 ZINC000040433278 174261006 /nfs/dbraw/zinc/26/10/06/174261006.db2.gz UNHDZLODRYIQDX-UHFFFAOYSA-N 1 0 277.368 2.560 20 5 CFBDRO O=[N+]([O-])c1cc(CNCC[NH+]2CCCCCC2)cs1 ZINC000040767948 174398370 /nfs/dbraw/zinc/39/83/70/174398370.db2.gz SLRUVNCRRWMIQR-UHFFFAOYSA-N 1 0 283.397 2.622 20 5 CFBDRO CCOC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000286283358 196553646 /nfs/dbraw/zinc/55/36/46/196553646.db2.gz USLXDGUUHVLJEE-CYBMUJFWSA-N 1 0 296.367 2.624 20 5 CFBDRO Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000043570233 175067881 /nfs/dbraw/zinc/06/78/81/175067881.db2.gz HABKTYVWGVSLSY-UHFFFAOYSA-N 1 0 279.340 2.620 20 5 CFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000044416104 175172998 /nfs/dbraw/zinc/17/29/98/175172998.db2.gz CBCIQCFNYDLLBM-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533983 175197546 /nfs/dbraw/zinc/19/75/46/175197546.db2.gz RDRTUFWWYROPOS-OLZOCXBDSA-N 1 0 277.368 2.587 20 5 CFBDRO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534274 175197950 /nfs/dbraw/zinc/19/79/50/175197950.db2.gz XDECNNIGFMSAIK-CHWSQXEVSA-N 1 0 277.368 2.587 20 5 CFBDRO Cc1ccc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000044537749 175199440 /nfs/dbraw/zinc/19/94/40/175199440.db2.gz LWIFOFMZMXZWKQ-LBPRGKRZSA-N 1 0 263.341 2.657 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685662 175231250 /nfs/dbraw/zinc/23/12/50/175231250.db2.gz QCOKYXGFTLCVNE-XJKSGUPXSA-N 1 0 289.379 2.872 20 5 CFBDRO COc1ccc(C[NH2+]CCOCCC(C)C)cc1[N+](=O)[O-] ZINC000045106919 175308196 /nfs/dbraw/zinc/30/81/96/175308196.db2.gz JPFNIWQBWYNJPH-UHFFFAOYSA-N 1 0 296.367 2.756 20 5 CFBDRO CC(C)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000045778665 175383444 /nfs/dbraw/zinc/38/34/44/175383444.db2.gz OIIGZOJMCRRMHH-ZDUSSCGKSA-N 1 0 277.368 2.682 20 5 CFBDRO Cc1ccnc(NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000070495968 175956805 /nfs/dbraw/zinc/95/68/05/175956805.db2.gz NBHIAUPWLSSYRQ-GFCCVEGCSA-N 1 0 292.383 2.832 20 5 CFBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071332317 176125615 /nfs/dbraw/zinc/12/56/15/176125615.db2.gz XTYSUDSKLVOHBU-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)C ZINC000077327494 177253533 /nfs/dbraw/zinc/25/35/33/177253533.db2.gz FQKYXIBCISMATO-UHFFFAOYSA-N 1 0 272.370 2.761 20 5 CFBDRO COC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000077897107 177307632 /nfs/dbraw/zinc/30/76/32/177307632.db2.gz VFMIZLJLWAALAG-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000347041561 287345249 /nfs/dbraw/zinc/34/52/49/287345249.db2.gz LCSSXNOJUQSBMM-KGMNCQPJSA-N 1 0 289.379 2.667 20 5 CFBDRO O=[N+]([O-])c1cccnc1NCC1C[NH+](Cc2ccccc2)C1 ZINC000716221191 782031416 /nfs/dbraw/zinc/03/14/16/782031416.db2.gz KVOJHHDWFFCOFV-UHFFFAOYSA-N 1 0 298.346 2.534 20 5 CFBDRO CCC[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179495205 260050620 /nfs/dbraw/zinc/05/06/20/260050620.db2.gz HBSLDTHCQLFNDQ-FNORWQNLSA-N 1 0 289.379 2.636 20 5 CFBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000313146028 260253259 /nfs/dbraw/zinc/25/32/59/260253259.db2.gz WELJFQILYJAFSY-QWHCGFSZSA-N 1 0 286.759 2.887 20 5 CFBDRO CCC[N@H+](CC)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284118172 263085887 /nfs/dbraw/zinc/08/58/87/263085887.db2.gz NQQNZXXJWOIOKE-GFCCVEGCSA-N 1 0 294.399 2.560 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628269 263145513 /nfs/dbraw/zinc/14/55/13/263145513.db2.gz HITSCNNIKYGVAD-LLVKDONJSA-N 1 0 293.367 2.523 20 5 CFBDRO CC(=O)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000519201163 265362973 /nfs/dbraw/zinc/36/29/73/265362973.db2.gz GQKPEJRLDZMITJ-LBPRGKRZSA-N 1 0 291.351 2.551 20 5 CFBDRO CC(C)OCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000396423425 270315007 /nfs/dbraw/zinc/31/50/07/270315007.db2.gz QCRKHFQSABDJFC-UHFFFAOYSA-N 1 0 272.370 2.950 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000396534317 270315303 /nfs/dbraw/zinc/31/53/03/270315303.db2.gz IPMUUXYDLSQUNQ-GHMZBOCLSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000397270844 270316542 /nfs/dbraw/zinc/31/65/42/270316542.db2.gz MUNGQJZXXXAOIX-JMSVASOKSA-N 1 0 291.395 2.708 20 5 CFBDRO CO[C@](C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000515670698 270374045 /nfs/dbraw/zinc/37/40/45/270374045.db2.gz UPUKLSQFBRGCCY-GDBMZVCRSA-N 1 0 290.363 2.987 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279048056 273556037 /nfs/dbraw/zinc/55/60/37/273556037.db2.gz JXWZHBFJOPFESV-LSDHHAIUSA-N 1 0 292.379 2.924 20 5 CFBDRO CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000192859784 273594484 /nfs/dbraw/zinc/59/44/84/273594484.db2.gz UQDLMZBSSXKCFC-AWEZNQCLSA-N 1 0 276.336 2.598 20 5 CFBDRO CCC[C@@](C)(CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000304819460 273619356 /nfs/dbraw/zinc/61/93/56/273619356.db2.gz BMQHJCLAVFSPPI-VFADXPBXSA-N 1 0 278.352 2.749 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000282347670 274064272 /nfs/dbraw/zinc/06/42/72/274064272.db2.gz PBSAVEYTQFONRQ-SWLSCSKDSA-N 1 0 278.352 2.903 20 5 CFBDRO COc1ccc(OCC[N@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000441220658 274116121 /nfs/dbraw/zinc/11/61/21/274116121.db2.gz CYLHSTBBXQMDEB-GFCCVEGCSA-N 1 0 296.367 2.959 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000279013210 274225767 /nfs/dbraw/zinc/22/57/67/274225767.db2.gz HCELCZHBYFTJKG-NHYWBVRUSA-N 1 0 291.395 2.857 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(C)O ZINC000449725635 274231146 /nfs/dbraw/zinc/23/11/46/274231146.db2.gz OKJNRXHEJNAGEA-LBPRGKRZSA-N 1 0 294.395 2.913 20 5 CFBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286393144 274713105 /nfs/dbraw/zinc/71/31/05/274713105.db2.gz PBJNZMDYEHNYKS-ZFWWWQNUSA-N 1 0 289.379 2.966 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000227888314 275033786 /nfs/dbraw/zinc/03/37/86/275033786.db2.gz OEEQGUNESUQUEK-STQMWFEESA-N 1 0 297.305 2.912 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000428563482 275039205 /nfs/dbraw/zinc/03/92/05/275039205.db2.gz ZKKXZUBWOZWIHM-CYBMUJFWSA-N 1 0 284.315 2.557 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000493236590 275039396 /nfs/dbraw/zinc/03/93/96/275039396.db2.gz KJEUANWDRKWPCL-LLVKDONJSA-N 1 0 295.770 2.528 20 5 CFBDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000297047527 275702048 /nfs/dbraw/zinc/70/20/48/275702048.db2.gz VLUXKVUVOJZYIU-HNNXBMFYSA-N 1 0 288.351 2.606 20 5 CFBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212667 275867858 /nfs/dbraw/zinc/86/78/58/275867858.db2.gz YHPPEKNSHQAFIL-NHYWBVRUSA-N 1 0 290.363 2.943 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000328241816 275881940 /nfs/dbraw/zinc/88/19/40/275881940.db2.gz LJVOBDJEHLSQMW-GFCCVEGCSA-N 1 0 284.743 2.905 20 5 CFBDRO CCC1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000296439418 275965550 /nfs/dbraw/zinc/96/55/50/275965550.db2.gz VXNSUVJFIPCFNY-UHFFFAOYSA-N 1 0 291.351 2.506 20 5 CFBDRO CCC[C@@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706888 276022108 /nfs/dbraw/zinc/02/21/08/276022108.db2.gz PJMXTXAPGAIKAC-LLVKDONJSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692002 276104755 /nfs/dbraw/zinc/10/47/55/276104755.db2.gz OWGOKCCMJHBSFG-OLZOCXBDSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359113255 276118556 /nfs/dbraw/zinc/11/85/56/276118556.db2.gz ZSDPCWMEYYYHOD-GFCCVEGCSA-N 1 0 280.372 2.749 20 5 CFBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282819879 276157816 /nfs/dbraw/zinc/15/78/16/276157816.db2.gz NGEKKIQGNXMOFJ-NSHDSACASA-N 1 0 252.339 2.578 20 5 CFBDRO C[NH+](C)CC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC000273504211 276781024 /nfs/dbraw/zinc/78/10/24/276781024.db2.gz OVQCWBJOXZDWRQ-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1cccc(F)c1[N+](=O)[O-])CC2 ZINC000364639275 277042504 /nfs/dbraw/zinc/04/25/04/277042504.db2.gz UWDTUGHLDIMBNB-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000193354295 277132304 /nfs/dbraw/zinc/13/23/04/277132304.db2.gz PPBMHHXMPORYDM-WCFLWFBJSA-N 1 0 292.335 2.587 20 5 CFBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267888 277283470 /nfs/dbraw/zinc/28/34/70/277283470.db2.gz GFHXMLVOHQIYRW-UONOGXRCSA-N 1 0 291.395 2.896 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037154677 277626329 /nfs/dbraw/zinc/62/63/29/277626329.db2.gz WYZOALKDISKABT-NWDGAFQWSA-N 1 0 274.324 2.531 20 5 CFBDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796605 278136885 /nfs/dbraw/zinc/13/68/85/278136885.db2.gz DJFIRTSXBYZUQC-UWVGGRQHSA-N 1 0 254.355 2.997 20 5 CFBDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000280989501 278256300 /nfs/dbraw/zinc/25/63/00/278256300.db2.gz JPVVPDWMJMOGNQ-PRWKNARSSA-N 1 0 296.392 2.547 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000038044613 278354494 /nfs/dbraw/zinc/35/44/94/278354494.db2.gz MMOCLBFDFXYPIK-VXGBXAGGSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747740 278386864 /nfs/dbraw/zinc/38/68/64/278386864.db2.gz GIZOUVONZHFMMI-MFKMUULPSA-N 1 0 286.335 2.526 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000286419750 279088717 /nfs/dbraw/zinc/08/87/17/279088717.db2.gz MXYXUPWVRCANRH-DOMZBBRYSA-N 1 0 275.352 2.658 20 5 CFBDRO CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270054 279142328 /nfs/dbraw/zinc/14/23/28/279142328.db2.gz WKERBAJYKDCYDQ-DGCLKSJQSA-N 1 0 265.357 2.619 20 5 CFBDRO CC(C)C[C@H](CN)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835155 279142345 /nfs/dbraw/zinc/14/23/45/279142345.db2.gz HEGMSVMQNCDWOP-UKRRQHHQSA-N 1 0 293.411 2.879 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000375143355 279161973 /nfs/dbraw/zinc/16/19/73/279161973.db2.gz QLTPTAIRWBNCIY-CVEARBPZSA-N 1 0 290.363 2.890 20 5 CFBDRO CC[N@H+](CCOC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270783182 279210501 /nfs/dbraw/zinc/21/05/01/279210501.db2.gz PHRSORVILYTYBM-NSHDSACASA-N 1 0 252.314 2.624 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000449157750 279382405 /nfs/dbraw/zinc/38/24/05/279382405.db2.gz QYOJNUVTGKVSAD-BPLDGKMQSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343982833 279384317 /nfs/dbraw/zinc/38/43/17/279384317.db2.gz RWHKXETVSRKULD-VXGBXAGGSA-N 1 0 286.335 2.667 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169232 279831439 /nfs/dbraw/zinc/83/14/39/279831439.db2.gz OCZKWCXVAGEATA-TZMCWYRMSA-N 1 0 280.368 2.522 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCOC1)C1CC1 ZINC000177927869 280374184 /nfs/dbraw/zinc/37/41/84/280374184.db2.gz VUEVLWZIBBLYDG-HUUCEWRRSA-N 1 0 290.363 2.685 20 5 CFBDRO COc1cccc(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000185475532 280837038 /nfs/dbraw/zinc/83/70/38/280837038.db2.gz TZHRHULOHOCDLI-LLVKDONJSA-N 1 0 295.383 2.992 20 5 CFBDRO COc1cccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000185475513 280837338 /nfs/dbraw/zinc/83/73/38/280837338.db2.gz TZHRHULOHOCDLI-NSHDSACASA-N 1 0 295.383 2.992 20 5 CFBDRO Cc1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000266964439 280864253 /nfs/dbraw/zinc/86/42/53/280864253.db2.gz IXQPGZNKKGXMRN-UHFFFAOYSA-N 1 0 277.368 2.870 20 5 CFBDRO CCN(CCC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000190290846 280886885 /nfs/dbraw/zinc/88/68/85/280886885.db2.gz FSTVKUQNJCSWTR-UHFFFAOYSA-N 1 0 269.320 2.512 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000249035436 281045106 /nfs/dbraw/zinc/04/51/06/281045106.db2.gz CEAHWSNMTAOQKG-LRDDRELGSA-N 1 0 292.379 2.921 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000251518351 281072657 /nfs/dbraw/zinc/07/26/57/281072657.db2.gz KHAALJMZCKDURM-LERXQTSPSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337311338 281165226 /nfs/dbraw/zinc/16/52/26/281165226.db2.gz CLKWBVGLIOFLSN-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396801651 281197738 /nfs/dbraw/zinc/19/77/38/281197738.db2.gz JEHRBDYWTHNUKK-PWSUYJOCSA-N 1 0 264.325 2.813 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000397797026 281202363 /nfs/dbraw/zinc/20/23/63/281202363.db2.gz KELHFXCTQUYOPQ-KOLCDFICSA-N 1 0 282.365 2.587 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424372843 281227400 /nfs/dbraw/zinc/22/74/00/281227400.db2.gz IRDVKFNRARXOOG-IACUBPJLSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1cccc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000275526926 281227908 /nfs/dbraw/zinc/22/79/08/281227908.db2.gz XPQCISGWRHESLC-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000275537353 281229683 /nfs/dbraw/zinc/22/96/83/281229683.db2.gz ZOGJUEBLPWUBDM-OLZOCXBDSA-N 1 0 275.352 2.576 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449344596 281241923 /nfs/dbraw/zinc/24/19/23/281241923.db2.gz RUKAMAJBQGHTJQ-NHYWBVRUSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000449345274 281242960 /nfs/dbraw/zinc/24/29/60/281242960.db2.gz VAVOQPWDZBSERM-WOSRLPQWSA-N 1 0 292.379 2.667 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000459446298 281263809 /nfs/dbraw/zinc/26/38/09/281263809.db2.gz DZQJJFWXSGGACW-UHFFFAOYSA-N 1 0 298.346 2.595 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000459484393 281267874 /nfs/dbraw/zinc/26/78/74/281267874.db2.gz SLUVZOYUWZLFQE-TXEJJXNPSA-N 1 0 295.358 2.648 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)C(C)C ZINC000519559330 281309015 /nfs/dbraw/zinc/30/90/15/281309015.db2.gz QGKCIGIUIQVWEB-QLBUUCPGSA-N 1 0 292.379 2.852 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000537975717 281548057 /nfs/dbraw/zinc/54/80/57/281548057.db2.gz ZPQHFYMGSNITRB-SNVBAGLBSA-N 1 0 293.348 2.781 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC[S@@](C)=O ZINC000539054289 281565421 /nfs/dbraw/zinc/56/54/21/281565421.db2.gz FOYXPHNPAJPUII-XAAFQQQXSA-N 1 0 298.408 2.711 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H](C)CO ZINC000540150415 281581609 /nfs/dbraw/zinc/58/16/09/281581609.db2.gz HMSIZOFVSMHVRL-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000547980708 281761991 /nfs/dbraw/zinc/76/19/91/281761991.db2.gz SUQDXTXJUKSTIM-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000548487990 281789111 /nfs/dbraw/zinc/78/91/11/281789111.db2.gz KZWOXVNSXGWQIG-CHWSQXEVSA-N 1 0 280.372 2.740 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548884618 281806409 /nfs/dbraw/zinc/80/64/09/281806409.db2.gz FTAKEJNFZARBOM-GLQYFDAESA-N 1 0 276.336 2.752 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000152927879 289857769 /nfs/dbraw/zinc/85/77/69/289857769.db2.gz MQRMSEMJYGMQDX-OAHLLOKOSA-N 1 0 294.351 2.652 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159149006 289988494 /nfs/dbraw/zinc/98/84/94/289988494.db2.gz YXGZIGYDPVLCMD-NWDGAFQWSA-N 1 0 266.341 2.715 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294425833 290004378 /nfs/dbraw/zinc/00/43/78/290004378.db2.gz UOUDPKIJVGAGNZ-PSOPSSQASA-N 1 0 293.367 2.521 20 5 CFBDRO Cc1ccc(OCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000311486170 290015434 /nfs/dbraw/zinc/01/54/34/290015434.db2.gz MJQHGRIEQXTIMW-UHFFFAOYSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000563124941 290106217 /nfs/dbraw/zinc/10/62/17/290106217.db2.gz LGRYUDXVIQJGBU-IFUGULHKSA-N 1 0 276.336 2.739 20 5 CFBDRO C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416689 290146576 /nfs/dbraw/zinc/14/65/76/290146576.db2.gz INIXRJAGOCMBHY-IUODEOHRSA-N 1 0 289.379 2.514 20 5 CFBDRO Cc1cnccc1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000564910889 290248681 /nfs/dbraw/zinc/24/86/81/290248681.db2.gz RRPAUVRQHFBONO-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)C(C)(C)C1 ZINC000565636681 290314122 /nfs/dbraw/zinc/31/41/22/290314122.db2.gz NBJBBHBCUAAAND-GFCCVEGCSA-N 1 0 277.368 2.682 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566130571 290351148 /nfs/dbraw/zinc/35/11/48/290351148.db2.gz QWLFCCUAMIFCPO-CYBMUJFWSA-N 1 0 291.351 2.702 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)O1 ZINC000566475150 290391374 /nfs/dbraw/zinc/39/13/74/290391374.db2.gz KQYNWHXMOJFEQX-BLTAXRJOSA-N 1 0 290.363 2.985 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476449 290392088 /nfs/dbraw/zinc/39/20/88/290392088.db2.gz ZLCWWIOARFTZCQ-COPLHBTASA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296618377 298325147 /nfs/dbraw/zinc/32/51/47/298325147.db2.gz WRIHFDQCKXFIAZ-MNOVXSKESA-N 1 0 266.341 2.795 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194089767 304802230 /nfs/dbraw/zinc/80/22/30/304802230.db2.gz ATSHLDZDNHYKDN-QLFBSQMISA-N 1 0 288.347 2.642 20 5 CFBDRO CCOCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569502984 322478420 /nfs/dbraw/zinc/47/84/20/322478420.db2.gz OPCHOPLMTSPEBD-AWEZNQCLSA-N 1 0 278.352 2.988 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC12CC2 ZINC000570827905 322554440 /nfs/dbraw/zinc/55/44/40/322554440.db2.gz YLFJQHRMBSXZMU-ZWNOBZJWSA-N 1 0 258.321 2.972 20 5 CFBDRO CC1CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572104745 322607411 /nfs/dbraw/zinc/60/74/11/322607411.db2.gz YNLYZLUHZXYKAR-TUUUFIMRSA-N 1 0 278.356 2.663 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000573143641 322645795 /nfs/dbraw/zinc/64/57/95/322645795.db2.gz VKFRARMRNRBVHQ-OWVOXGNYSA-N 1 0 264.325 2.621 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178205778 323712589 /nfs/dbraw/zinc/71/25/89/323712589.db2.gz BZCVOYCRLYIDJR-QWRGUYRKSA-N 1 0 279.340 2.558 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182294337 323854102 /nfs/dbraw/zinc/85/41/02/323854102.db2.gz VJGAZKOJBGNKNJ-HUUCEWRRSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCF)CCC2 ZINC000193027998 324068118 /nfs/dbraw/zinc/06/81/18/324068118.db2.gz ZSNIQCSYYACZQJ-CYBMUJFWSA-N 1 0 252.289 2.921 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000349424637 324173769 /nfs/dbraw/zinc/17/37/69/324173769.db2.gz TXMRDOQMDVPFLE-REJHYOMKSA-N 1 0 292.379 2.833 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000388283408 324503455 /nfs/dbraw/zinc/50/34/55/324503455.db2.gz OBIBVPOIGJELQT-XPTSAGLGSA-N 1 0 282.315 2.637 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000394034321 324532781 /nfs/dbraw/zinc/53/27/81/324532781.db2.gz FTIGVCQECJYIDS-JSGCOSHPSA-N 1 0 280.368 2.818 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000580204796 325016235 /nfs/dbraw/zinc/01/62/35/325016235.db2.gz FBFMSBAQTKOPNQ-PXRVVVIRSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449401 325038153 /nfs/dbraw/zinc/03/81/53/325038153.db2.gz OWVKCGXAECSZNA-BXUZGUMPSA-N 1 0 278.352 2.580 20 5 CFBDRO CCOc1cc(OCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000581130184 325093226 /nfs/dbraw/zinc/09/32/26/325093226.db2.gz NUCGGXUPCNUZMQ-UHFFFAOYSA-N 1 0 294.351 2.762 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1c(OC)cccc1[N+](=O)[O-] ZINC000581736062 325147147 /nfs/dbraw/zinc/14/71/47/325147147.db2.gz JYPDPGGGQBKJMG-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834488 325152285 /nfs/dbraw/zinc/15/22/85/325152285.db2.gz QJSIYCCKNGBYBI-SWLSCSKDSA-N 1 0 289.379 2.656 20 5 CFBDRO CC(C)(CCCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582013618 325169966 /nfs/dbraw/zinc/16/99/66/325169966.db2.gz QUOQWPIHHOYMQY-AWEZNQCLSA-N 1 0 292.379 2.970 20 5 CFBDRO C[NH+](C)CC(C)(C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584123728 325332725 /nfs/dbraw/zinc/33/27/25/325332725.db2.gz GYWGGBDMHWZIFR-CQSZACIVSA-N 1 0 291.395 2.760 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000384745720 336130130 /nfs/dbraw/zinc/13/01/30/336130130.db2.gz MAPALEGZOKXSGA-IRUJWGPZSA-N 1 0 264.325 2.559 20 5 CFBDRO COC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444033 522203802 /nfs/dbraw/zinc/20/38/02/522203802.db2.gz CZLVNWULWZLDGV-VIFPVBQESA-N 1 0 272.732 2.620 20 5 CFBDRO Cc1ccc(CNC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414921449 534068322 /nfs/dbraw/zinc/06/83/22/534068322.db2.gz BJXJCBJFZZOHGH-OAHLLOKOSA-N 1 0 291.395 2.771 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000414666974 534340648 /nfs/dbraw/zinc/34/06/48/534340648.db2.gz XEXDRKJYAVDIMY-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000077456054 519695802 /nfs/dbraw/zinc/69/58/02/519695802.db2.gz UVKWYQKFTRJOLF-HNNXBMFYSA-N 1 0 280.368 2.872 20 5 CFBDRO CC(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361652958 519836002 /nfs/dbraw/zinc/83/60/02/519836002.db2.gz HCRIOXQCPUBKSU-TZMCWYRMSA-N 1 0 292.379 2.778 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000361033560 519836270 /nfs/dbraw/zinc/83/62/70/519836270.db2.gz TUNBKMFMBWNTLL-VXGBXAGGSA-N 1 0 280.368 2.967 20 5 CFBDRO CC[N@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214050825 520240384 /nfs/dbraw/zinc/24/03/84/520240384.db2.gz CHNHZHRCSQNCQH-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000160267570 520391209 /nfs/dbraw/zinc/39/12/09/520391209.db2.gz ZGOUNOMPFGDJLA-LBPRGKRZSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[NH+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000312055155 520689495 /nfs/dbraw/zinc/68/94/95/520689495.db2.gz DXQJNBVGPDJBAP-UHFFFAOYSA-N 1 0 269.320 2.796 20 5 CFBDRO CCOc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000233787326 520749761 /nfs/dbraw/zinc/74/97/61/520749761.db2.gz CGSKPULXEATLAI-WCQYABFASA-N 1 0 293.367 2.557 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000075757156 520830204 /nfs/dbraw/zinc/83/02/04/520830204.db2.gz CWORDBNLUSQFEQ-ZDUSSCGKSA-N 1 0 279.384 2.723 20 5 CFBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135336641 521066819 /nfs/dbraw/zinc/06/68/19/521066819.db2.gz IPIDTVAXQKOHRT-JSGCOSHPSA-N 1 0 280.372 2.692 20 5 CFBDRO CCC[C@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224460752 521161992 /nfs/dbraw/zinc/16/19/92/521161992.db2.gz YJKXMAKKEREVBB-RYUDHWBXSA-N 1 0 288.294 2.652 20 5 CFBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000194090832 521444673 /nfs/dbraw/zinc/44/46/73/521444673.db2.gz ZGOVKDUKTOBDGT-UHFFFAOYSA-N 1 0 290.323 2.875 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000313131046 521658608 /nfs/dbraw/zinc/65/86/08/521658608.db2.gz QGJHEULZUKHYCF-NSHDSACASA-N 1 0 281.331 2.939 20 5 CFBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000037668237 522464666 /nfs/dbraw/zinc/46/46/66/522464666.db2.gz KQABOUUMYGRASP-UHFFFAOYSA-N 1 0 288.303 2.599 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274377 522609392 /nfs/dbraw/zinc/60/93/92/522609392.db2.gz DGDOPIIGZJVSSU-HOTGVXAUSA-N 1 0 291.395 2.976 20 5 CFBDRO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553778 522688087 /nfs/dbraw/zinc/68/80/87/522688087.db2.gz SQGNKSXFXSSMNP-WFASDCNBSA-N 1 0 279.384 2.976 20 5 CFBDRO [NH3+]C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000414831046 534677169 /nfs/dbraw/zinc/67/71/69/534677169.db2.gz BTXUNWXBFCFCOG-GFCCVEGCSA-N 1 0 283.397 2.654 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](CC(C)C)[NH+](C)C ZINC000195344130 523669681 /nfs/dbraw/zinc/66/96/81/523669681.db2.gz WULADFPRNSJYRP-LBPRGKRZSA-N 1 0 297.403 2.508 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000315175781 524579553 /nfs/dbraw/zinc/57/95/53/524579553.db2.gz YQQAUKAQUXRMLJ-ZFWWWQNUSA-N 1 0 292.379 2.792 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000230667305 524580989 /nfs/dbraw/zinc/58/09/89/524580989.db2.gz ZENWUPSMUQIBJO-GXTWGEPZSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1cc(NCCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000313193927 525266697 /nfs/dbraw/zinc/26/66/97/525266697.db2.gz XLVJLPZNHMEYFJ-UHFFFAOYSA-N 1 0 281.331 2.940 20 5 CFBDRO C[C@@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000227890849 525446957 /nfs/dbraw/zinc/44/69/57/525446957.db2.gz MUKWHVUZGVFQSC-RKDXNWHRSA-N 1 0 285.294 2.768 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000312957489 525453111 /nfs/dbraw/zinc/45/31/11/525453111.db2.gz STHIRDTZYHQERR-LLVKDONJSA-N 1 0 281.356 2.744 20 5 CFBDRO CSCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000069432883 525484709 /nfs/dbraw/zinc/48/47/09/525484709.db2.gz ZNJYRPINRGPOCS-SNVBAGLBSA-N 1 0 254.355 2.999 20 5 CFBDRO CSCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000151162283 525496892 /nfs/dbraw/zinc/49/68/92/525496892.db2.gz WBBQCCSXJSPCLO-UHFFFAOYSA-N 1 0 254.355 2.698 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000052812465 525576254 /nfs/dbraw/zinc/57/62/54/525576254.db2.gz RIXFOFQGZQMZAT-YHWZYXNKSA-N 1 0 290.367 2.583 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000300423230 525598526 /nfs/dbraw/zinc/59/85/26/525598526.db2.gz PHKLPXBZIAYNGM-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000056196954 525662000 /nfs/dbraw/zinc/66/20/00/525662000.db2.gz YVVGSAMRNBFGBD-GHMZBOCLSA-N 1 0 293.367 2.549 20 5 CFBDRO Cc1ccnc(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000357943958 525690800 /nfs/dbraw/zinc/69/08/00/525690800.db2.gz MMMAPZHHRYJUCU-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228039621 525725071 /nfs/dbraw/zinc/72/50/71/525725071.db2.gz FIUZTAPARLZTTN-VXGBXAGGSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919506 525727427 /nfs/dbraw/zinc/72/74/27/525727427.db2.gz CBWVAYOWGNJQNL-HUUCEWRRSA-N 1 0 289.379 2.620 20 5 CFBDRO O=[N+]([O-])c1cnc(NC2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000413259173 534888659 /nfs/dbraw/zinc/88/86/59/534888659.db2.gz CTXHCQBZBDYFJG-UHFFFAOYSA-N 1 0 294.330 2.558 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cccc1[N+](=O)[O-] ZINC000305111248 525896415 /nfs/dbraw/zinc/89/64/15/525896415.db2.gz FZQJFQNMMAREEM-IUODEOHRSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@H](C)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000054111057 525920298 /nfs/dbraw/zinc/92/02/98/525920298.db2.gz LGYSHQXJXVVZSE-ZDUSSCGKSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000361396190 525925698 /nfs/dbraw/zinc/92/56/98/525925698.db2.gz FFCRWLBCOOBHAF-WFASDCNBSA-N 1 0 278.352 2.980 20 5 CFBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)OCC1CC1 ZINC000414516537 527171157 /nfs/dbraw/zinc/17/11/57/527171157.db2.gz PAPZAICHQADYLF-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO CC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420183728 527317402 /nfs/dbraw/zinc/31/74/02/527317402.db2.gz AEMXFIATOCMPNB-GFCCVEGCSA-N 1 0 291.351 2.599 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1Cl ZINC000261971882 527347166 /nfs/dbraw/zinc/34/71/66/527347166.db2.gz QKAGFEJRYGQBOW-LBPRGKRZSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccccc2)cc1 ZINC000048436417 527350415 /nfs/dbraw/zinc/35/04/15/527350415.db2.gz HADSIOLXORSVAV-UHFFFAOYSA-N 1 0 272.304 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000230316741 527355443 /nfs/dbraw/zinc/35/54/43/527355443.db2.gz AKSBDJYYPQCVCK-KBPBESRZSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000360537099 527385834 /nfs/dbraw/zinc/38/58/34/527385834.db2.gz OHWHKAVXWPGLHG-LSDHHAIUSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364806826 527386150 /nfs/dbraw/zinc/38/61/50/527386150.db2.gz WSTKUFASPCKHPU-INIZCTEOSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCCS1 ZINC000158081846 527400005 /nfs/dbraw/zinc/40/00/05/527400005.db2.gz JRVBORAFPNTNEI-GFCCVEGCSA-N 1 0 266.366 2.970 20 5 CFBDRO [NH3+][C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000157386539 527419236 /nfs/dbraw/zinc/41/92/36/527419236.db2.gz KHKJECDOFVEWJM-HOTGVXAUSA-N 1 0 283.331 2.829 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449177767 536514932 /nfs/dbraw/zinc/51/49/32/536514932.db2.gz TVRZDDJUNYOVLL-DOMZBBRYSA-N 1 0 280.368 2.786 20 5 CFBDRO CCOc1cc(NC[C@@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000111046005 528327770 /nfs/dbraw/zinc/32/77/70/528327770.db2.gz SFULOZNZQXMSJC-ZDUSSCGKSA-N 1 0 293.367 2.890 20 5 CFBDRO CC(C)C[C@H]([NH3+])CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414678339 528552595 /nfs/dbraw/zinc/55/25/95/528552595.db2.gz QHDNNIQPGSNCTE-AWEZNQCLSA-N 1 0 291.395 2.933 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C1CC1 ZINC000175079418 528612770 /nfs/dbraw/zinc/61/27/70/528612770.db2.gz VZHGOKWOGXMDMT-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CCCC[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414813518 528818684 /nfs/dbraw/zinc/81/86/84/528818684.db2.gz MNZSTPWSVGKOPZ-NSHDSACASA-N 1 0 285.775 2.855 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000427873039 528978777 /nfs/dbraw/zinc/97/87/77/528978777.db2.gz YVIPKXFLDFHXKF-JQWIXIFHSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000421370683 529329119 /nfs/dbraw/zinc/32/91/19/529329119.db2.gz CFDLQZPILGQXEF-HIFRSBDPSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)NCc1c(F)cccc1[N+](=O)[O-] ZINC000452093084 535077079 /nfs/dbraw/zinc/07/70/79/535077079.db2.gz GEGHSGYWQHDYIK-UHFFFAOYSA-N 1 0 295.358 2.698 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449752024 535753530 /nfs/dbraw/zinc/75/35/30/535753530.db2.gz ATBYBXLLFBMJRW-UKRRQHHQSA-N 1 0 278.352 2.950 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000452023887 535755850 /nfs/dbraw/zinc/75/58/50/535755850.db2.gz YFPVAFWFOZDWRS-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000449539205 535892679 /nfs/dbraw/zinc/89/26/79/535892679.db2.gz IEIVBDVOUOWZQA-SLSOJXQNSA-N 1 0 278.352 2.747 20 5 CFBDRO CC[C@@H]1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000355675331 535899805 /nfs/dbraw/zinc/89/98/05/535899805.db2.gz RLDXMSNBSNPOQE-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO C[NH+](C)CCSCCCOc1ccc([N+](=O)[O-])cc1 ZINC000446562683 535919828 /nfs/dbraw/zinc/91/98/28/535919828.db2.gz COXONLMWQGPKIF-UHFFFAOYSA-N 1 0 284.381 2.659 20 5 CFBDRO CC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551776 535982963 /nfs/dbraw/zinc/98/29/63/535982963.db2.gz VGSOQOUKQVNKSM-HIFRSBDPSA-N 1 0 278.352 2.545 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000449772150 536756481 /nfs/dbraw/zinc/75/64/81/536756481.db2.gz GSQVTXZSGMELGG-LLVKDONJSA-N 1 0 284.381 2.905 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727824846 574067519 /nfs/dbraw/zinc/06/75/19/574067519.db2.gz UJIWNPNIKPKFGN-GFCCVEGCSA-N 1 0 274.324 2.776 20 5 CFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754514466 574106445 /nfs/dbraw/zinc/10/64/45/574106445.db2.gz IJCXLQOHZXVQRG-QMTHXVAHSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049995 574132376 /nfs/dbraw/zinc/13/23/76/574132376.db2.gz ZYSQFEMSHPYTBJ-CHWSQXEVSA-N 1 0 277.368 2.730 20 5 CFBDRO CCC[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746655225 574160710 /nfs/dbraw/zinc/16/07/10/574160710.db2.gz NHILEBIZOAEGDL-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)c1ccco1 ZINC000747098904 574179961 /nfs/dbraw/zinc/17/99/61/574179961.db2.gz GBVMZTRPYUKPRQ-JHAQOBCDSA-N 1 0 288.303 2.524 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000747211450 574187603 /nfs/dbraw/zinc/18/76/03/574187603.db2.gz BESFWMJCOXAGIH-CYBMUJFWSA-N 1 0 277.368 2.870 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000749677658 574304605 /nfs/dbraw/zinc/30/46/05/574304605.db2.gz PZHUMIYWWGGXRQ-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000021321689 617663267 /nfs/dbraw/zinc/66/32/67/617663267.db2.gz PZYURKQJUUOJMP-UHFFFAOYSA-N 1 0 274.324 2.634 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C)CC1 ZINC000932348542 617679206 /nfs/dbraw/zinc/67/92/06/617679206.db2.gz GNDHEGYWVXCRIR-VXGBXAGGSA-N 1 0 264.325 2.767 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000891821733 617769268 /nfs/dbraw/zinc/76/92/68/617769268.db2.gz LPXVCACXSLDOQM-LLVKDONJSA-N 1 0 294.351 2.931 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)C1CCCC1 ZINC000934010374 617862309 /nfs/dbraw/zinc/86/23/09/617862309.db2.gz AWZFJVCUZQETSX-CQSZACIVSA-N 1 0 296.342 2.765 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000176332607 617899870 /nfs/dbraw/zinc/89/98/70/617899870.db2.gz ALDPJHFQIZPBBW-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000934300915 617991988 /nfs/dbraw/zinc/99/19/88/617991988.db2.gz CMJLQVACXVMYMY-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000050373045 618117327 /nfs/dbraw/zinc/11/73/27/618117327.db2.gz HYUGMTJPAQOYNA-JSGCOSHPSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000051996373 618355183 /nfs/dbraw/zinc/35/51/83/618355183.db2.gz GMPLOCYOCQGALL-QWHCGFSZSA-N 1 0 284.743 2.641 20 5 CFBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925639345 618374535 /nfs/dbraw/zinc/37/45/35/618374535.db2.gz BRFBVDABHXRLBX-CVEARBPZSA-N 1 0 292.379 2.788 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892509868 618433795 /nfs/dbraw/zinc/43/37/95/618433795.db2.gz DEELKDRNVBOILX-PWSUYJOCSA-N 1 0 294.351 2.977 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000895190997 618454401 /nfs/dbraw/zinc/45/44/01/618454401.db2.gz CPCZQUXVJGIPMO-NWDGAFQWSA-N 1 0 295.770 2.921 20 5 CFBDRO C[C@@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)[NH+](C)C ZINC000895295043 618514679 /nfs/dbraw/zinc/51/46/79/618514679.db2.gz ZDLKWDYPHWMOGH-JTQLQIEISA-N 1 0 285.775 2.678 20 5 CFBDRO CC[C@](C)([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000895396684 618567019 /nfs/dbraw/zinc/56/70/19/618567019.db2.gz SYMOLGHHKPGPLE-HNNXBMFYSA-N 1 0 294.351 2.977 20 5 CFBDRO CCC[C@H](CC)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892941754 618775103 /nfs/dbraw/zinc/77/51/03/618775103.db2.gz IIDVOTBEFCTBTP-NSHDSACASA-N 1 0 282.340 2.977 20 5 CFBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893107369 618834414 /nfs/dbraw/zinc/83/44/14/618834414.db2.gz BAZBVHHNWWFHOI-JQWIXIFHSA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@H]([NH3+])[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516137 618855335 /nfs/dbraw/zinc/85/53/35/618855335.db2.gz VOZQLPZZYGCFQW-SUMWQHHRSA-N 1 0 299.374 2.815 20 5 CFBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841694925 619168809 /nfs/dbraw/zinc/16/88/09/619168809.db2.gz YRGYRWYEAITYCN-QWHCGFSZSA-N 1 0 280.372 2.895 20 5 CFBDRO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000262004985 619366079 /nfs/dbraw/zinc/36/60/79/619366079.db2.gz ULDDEOKAAOEPDO-LBPRGKRZSA-N 1 0 297.786 2.822 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC2(C)C)c1[N+](=O)[O-] ZINC000894445088 619387650 /nfs/dbraw/zinc/38/76/50/619387650.db2.gz NJGLXIWHJVPGJN-NSHDSACASA-N 1 0 280.324 2.587 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000894585444 619424200 /nfs/dbraw/zinc/42/42/00/619424200.db2.gz ROOVOVMTMBBVBZ-CYBMUJFWSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1n[nH]c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000894739854 619455316 /nfs/dbraw/zinc/45/53/16/619455316.db2.gz UPZRXQQAGCMUKG-UHFFFAOYSA-N 1 0 288.351 2.609 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000895741049 619594153 /nfs/dbraw/zinc/59/41/53/619594153.db2.gz XMTZXNBUBLGQQF-GWCFXTLKSA-N 1 0 286.335 2.648 20 5 CFBDRO Cc1cc(NC[C@H]2CC[N@H+]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000895769344 619602856 /nfs/dbraw/zinc/60/28/56/619602856.db2.gz BUQFOPDAVLDFHW-LLVKDONJSA-N 1 0 286.335 2.567 20 5 CFBDRO COC(OC)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895789989 619607450 /nfs/dbraw/zinc/60/74/50/619607450.db2.gz GPIPVPIFOZGIGZ-VXGBXAGGSA-N 1 0 296.367 2.513 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460118 620176383 /nfs/dbraw/zinc/17/63/83/620176383.db2.gz QCUIVKLMYGKNPK-SDDRHHMPSA-N 1 0 266.341 2.711 20 5 CFBDRO C[C@H](C[NH2+]C1CCC(C)(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897461283 620176674 /nfs/dbraw/zinc/17/66/74/620176674.db2.gz ZELMLMBURDCZKI-VEAWUBTESA-N 1 0 292.379 2.982 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000897461392 620176737 /nfs/dbraw/zinc/17/67/37/620176737.db2.gz OAEXITUANHFCNX-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1ncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897460295 620176778 /nfs/dbraw/zinc/17/67/78/620176778.db2.gz GTGLVKGQNXHWGJ-JTQLQIEISA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@@H](C[NH2+]C[C@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000897464368 620176831 /nfs/dbraw/zinc/17/68/31/620176831.db2.gz LWFHMYKKJQOPKI-QWHCGFSZSA-N 1 0 276.336 2.981 20 5 CFBDRO Cc1nnc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897460600 620176876 /nfs/dbraw/zinc/17/68/76/620176876.db2.gz ISLMSQZVPDUHIG-SECBINFHSA-N 1 0 292.364 2.648 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000897461165 620176880 /nfs/dbraw/zinc/17/68/80/620176880.db2.gz MFCJBPANUKDUPG-JHJVBQTASA-N 1 0 278.352 2.855 20 5 CFBDRO Cc1c[nH]c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897460425 620176881 /nfs/dbraw/zinc/17/68/81/620176881.db2.gz HHKKOTIVZIWNHW-JTQLQIEISA-N 1 0 274.324 2.520 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465934 620177030 /nfs/dbraw/zinc/17/70/30/620177030.db2.gz LGBUNMTXWZFXFD-QWRGUYRKSA-N 1 0 266.366 2.793 20 5 CFBDRO CCn1nccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463646 620177095 /nfs/dbraw/zinc/17/70/95/620177095.db2.gz AWUORXUKGBDJDX-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261794332 620223964 /nfs/dbraw/zinc/22/39/64/620223964.db2.gz GIVPZHLJMYGCST-LBPRGKRZSA-N 1 0 297.786 2.822 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c([N+](=O)[O-])cc1O ZINC000897953949 620310316 /nfs/dbraw/zinc/31/03/16/620310316.db2.gz VTSAUXJVFKKZEE-MVWJERBFSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1 ZINC000898065969 620330452 /nfs/dbraw/zinc/33/04/52/620330452.db2.gz QRMSJXPSJIDQAY-DZGCQCFKSA-N 1 0 288.347 2.644 20 5 CFBDRO Cc1ncccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000898256371 620364956 /nfs/dbraw/zinc/36/49/56/620364956.db2.gz AMDLRKLYUPOLPZ-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1ccccc1[C@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000054566546 620407186 /nfs/dbraw/zinc/40/71/86/620407186.db2.gz SCUMCXSMDULLMK-CQSZACIVSA-N 1 0 286.335 2.894 20 5 CFBDRO CC(=O)c1ccc(OC[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000899630148 620588546 /nfs/dbraw/zinc/58/85/46/620588546.db2.gz QAYNITDNECHBFG-GFCCVEGCSA-N 1 0 292.335 2.566 20 5 CFBDRO C[C@H](C[NH2+]CC1(O)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000901641969 620878837 /nfs/dbraw/zinc/87/88/37/620878837.db2.gz GZHSYMQNMAMNKS-CYBMUJFWSA-N 1 0 292.379 2.983 20 5 CFBDRO CC[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428954 621075997 /nfs/dbraw/zinc/07/59/97/621075997.db2.gz INPCPBHDCUXOGG-YUELXQCFSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431177 621077155 /nfs/dbraw/zinc/07/71/55/621077155.db2.gz SCVYAFLXINTSSC-SWLSCSKDSA-N 1 0 289.379 2.573 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)N(C)C)cc([N+](=O)[O-])c1 ZINC000903056715 621236065 /nfs/dbraw/zinc/23/60/65/621236065.db2.gz YBOVTHHMRGRVBV-LLVKDONJSA-N 1 0 295.383 2.594 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903088644 621248188 /nfs/dbraw/zinc/24/81/88/621248188.db2.gz KTTQRORMSLSNEJ-MNOVXSKESA-N 1 0 282.340 2.679 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903098129 621251642 /nfs/dbraw/zinc/25/16/42/621251642.db2.gz YIEYWWNOILFCSH-ABAIWWIYSA-N 1 0 296.367 2.805 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903099014 621252191 /nfs/dbraw/zinc/25/21/91/621252191.db2.gz XDWCRHLZTHBPAQ-JQWIXIFHSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H](CCO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903102944 621254038 /nfs/dbraw/zinc/25/40/38/621254038.db2.gz CZSBHIYWTJJRHK-IAQYHMDHSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@H](C)[NH2+]Cc2ccn(C)c2)cc([N+](=O)[O-])c1 ZINC000903105825 621254872 /nfs/dbraw/zinc/25/48/72/621254872.db2.gz UTJJKBKYLUSNIZ-NSHDSACASA-N 1 0 289.335 2.793 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903111119 621257330 /nfs/dbraw/zinc/25/73/30/621257330.db2.gz UAMRTDLQHGIEFB-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000903130855 621263931 /nfs/dbraw/zinc/26/39/31/621263931.db2.gz FLEPFKUKVVCUJD-WCQYABFASA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903196025 621281650 /nfs/dbraw/zinc/28/16/50/621281650.db2.gz FNYFJQHGDFIREI-PWSUYJOCSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903196023 621281823 /nfs/dbraw/zinc/28/18/23/621281823.db2.gz FNYFJQHGDFIREI-CMPLNLGQSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903196024 621281917 /nfs/dbraw/zinc/28/19/17/621281917.db2.gz FNYFJQHGDFIREI-JQWIXIFHSA-N 1 0 294.351 2.822 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244896 621295559 /nfs/dbraw/zinc/29/55/59/621295559.db2.gz GANZQELFROWEQX-SCRDCRAPSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000903244910 621295696 /nfs/dbraw/zinc/29/56/96/621295696.db2.gz GGDPASKDRORHQM-NEPJUHHUSA-N 1 0 288.351 2.783 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903228268 621296810 /nfs/dbraw/zinc/29/68/10/621296810.db2.gz SWQRTRFNMVSVMQ-FZMZJTMJSA-N 1 0 296.367 2.805 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903287903 621319276 /nfs/dbraw/zinc/31/92/76/621319276.db2.gz HUGYHNDOUIDKSG-IAODNVIUSA-N 1 0 288.347 2.811 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903333423 621331604 /nfs/dbraw/zinc/33/16/04/621331604.db2.gz ZJAAOSRGXXKKJM-ZJUUUORDSA-N 1 0 281.356 2.641 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC000903397719 621357974 /nfs/dbraw/zinc/35/79/74/621357974.db2.gz YQLIZTJTNRVXKF-MJVIPROJSA-N 1 0 264.325 2.589 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](O)C1CC1)CCC2 ZINC000903408556 621363729 /nfs/dbraw/zinc/36/37/29/621363729.db2.gz SKJDXEHPCYZNLZ-JKSUJKDBSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903439427 621376167 /nfs/dbraw/zinc/37/61/67/621376167.db2.gz DYMPHDLYCDFOJK-NDMJEZRESA-N 1 0 294.326 2.810 20 5 CFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000903843079 621454600 /nfs/dbraw/zinc/45/46/00/621454600.db2.gz BPBPECDHOVEGPC-GAFUQQFSSA-N 1 0 295.770 2.560 20 5 CFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000903845249 621454928 /nfs/dbraw/zinc/45/49/28/621454928.db2.gz GDDNETRQJIJNQV-BIMULSAOSA-N 1 0 295.770 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CCC[NH2+]3)no2)c1C ZINC000904075021 621516688 /nfs/dbraw/zinc/51/66/88/621516688.db2.gz DZRKIYTWFIYZFP-SNVBAGLBSA-N 1 0 288.307 2.686 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC000924800605 621629245 /nfs/dbraw/zinc/62/92/45/621629245.db2.gz ZLHOZOMCNNUDBE-WDEREUQCSA-N 1 0 272.308 2.797 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000905202473 621722794 /nfs/dbraw/zinc/72/27/94/621722794.db2.gz MKMOILCLBGIFAK-CQSZACIVSA-N 1 0 264.300 2.628 20 5 CFBDRO CCC[N@H+](C)[C@@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905254616 621728227 /nfs/dbraw/zinc/72/82/27/621728227.db2.gz DJTZFMZYJXAMMN-AWEZNQCLSA-N 1 0 299.802 2.589 20 5 CFBDRO CC[N@@H+](c1ccc(NCC[N+](=O)[O-])cc1)C(C)C ZINC000905301038 621745455 /nfs/dbraw/zinc/74/54/55/621745455.db2.gz MKKYEEJTNRPTIW-UHFFFAOYSA-N 1 0 251.330 2.610 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000905439064 621772281 /nfs/dbraw/zinc/77/22/81/621772281.db2.gz RFOHUHGHMINYKX-HNKHHVNMSA-N 1 0 290.363 2.797 20 5 CFBDRO O=[N+]([O-])c1ncccc1COc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000905615429 621805998 /nfs/dbraw/zinc/80/59/98/621805998.db2.gz HJTPICSWHAAVRK-OAHLLOKOSA-N 1 0 299.330 2.993 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000905663225 621811876 /nfs/dbraw/zinc/81/18/76/621811876.db2.gz CMIRDYDVOFKXLK-LSDHHAIUSA-N 1 0 262.353 2.969 20 5 CFBDRO CC[C@H]([NH2+]CCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183894131 625555811 /nfs/dbraw/zinc/55/58/11/625555811.db2.gz UYTLXCHSUBPHNR-AWEZNQCLSA-N 1 0 294.351 2.789 20 5 CFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000820596118 622712030 /nfs/dbraw/zinc/71/20/30/622712030.db2.gz PMJHLTDJOCECQL-JOYOIKCWSA-N 1 0 283.759 2.777 20 5 CFBDRO C[C@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000820883777 622781924 /nfs/dbraw/zinc/78/19/24/622781924.db2.gz SHIYNCYKRPJUHT-NSHDSACASA-N 1 0 293.367 2.550 20 5 CFBDRO CN(Cc1ccc2nonc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000821343270 622899658 /nfs/dbraw/zinc/89/96/58/622899658.db2.gz VIUSMUUPEIDCBI-UHFFFAOYSA-N 1 0 298.302 2.763 20 5 CFBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000166147119 623003379 /nfs/dbraw/zinc/00/33/79/623003379.db2.gz BZGZGGUBIHAXMB-JTQLQIEISA-N 1 0 296.714 2.954 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000226095745 623058177 /nfs/dbraw/zinc/05/81/77/623058177.db2.gz CCGJQSGZYYEPBZ-SNVBAGLBSA-N 1 0 269.732 2.754 20 5 CFBDRO CCC[C@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000227441499 623109789 /nfs/dbraw/zinc/10/97/89/623109789.db2.gz VNIBRZAJEVSIJZ-CYBMUJFWSA-N 1 0 280.368 2.792 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000169027302 623111333 /nfs/dbraw/zinc/11/13/33/623111333.db2.gz ZXTBKFDPJOXANC-QMMMGPOBSA-N 1 0 273.283 2.894 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000822644839 623141574 /nfs/dbraw/zinc/14/15/74/623141574.db2.gz YNXPJJNJEZEDLM-RYUDHWBXSA-N 1 0 288.307 2.500 20 5 CFBDRO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000171973756 623251725 /nfs/dbraw/zinc/25/17/25/623251725.db2.gz RMULKCUYESTTSQ-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO CN(CCc1ccc(Cl)cc1)Cn1nccc1[N+](=O)[O-] ZINC000172068075 623256951 /nfs/dbraw/zinc/25/69/51/623256951.db2.gz SFZJXDJAVGHOQD-UHFFFAOYSA-N 1 0 294.742 2.577 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000230696506 623292879 /nfs/dbraw/zinc/29/28/79/623292879.db2.gz FXOKYCZXBSSQSY-VXGBXAGGSA-N 1 0 296.392 2.977 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000172850556 623312946 /nfs/dbraw/zinc/31/29/46/623312946.db2.gz UPIXHYQWBYDWQR-BXUZGUMPSA-N 1 0 295.358 2.648 20 5 CFBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388054 623344986 /nfs/dbraw/zinc/34/49/86/623344986.db2.gz IMYUSFVQJGUGGB-NEPJUHHUSA-N 1 0 266.345 2.649 20 5 CFBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388043 623345554 /nfs/dbraw/zinc/34/55/54/623345554.db2.gz IMYUSFVQJGUGGB-VXGBXAGGSA-N 1 0 266.345 2.649 20 5 CFBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388396 623345638 /nfs/dbraw/zinc/34/56/38/623345638.db2.gz ZJBQFVPEWHSJDR-WCQYABFASA-N 1 0 266.345 2.649 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000231981361 623379239 /nfs/dbraw/zinc/37/92/39/623379239.db2.gz TYIOZZGRJVQIDA-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824653793 623539866 /nfs/dbraw/zinc/53/98/66/623539866.db2.gz IDBIWRXXSDRJRX-JTQLQIEISA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000825339064 623676987 /nfs/dbraw/zinc/67/69/87/623676987.db2.gz ZOQFSYFGIFQXSP-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000914433261 623849651 /nfs/dbraw/zinc/84/96/51/623849651.db2.gz MPQUZGOEJQHBCU-TZMCWYRMSA-N 1 0 296.754 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1Cl ZINC000827601213 624042795 /nfs/dbraw/zinc/04/27/95/624042795.db2.gz CPYLBLAUUJJNKQ-VXGBXAGGSA-N 1 0 296.754 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1Cl ZINC000827601211 624043553 /nfs/dbraw/zinc/04/35/53/624043553.db2.gz CPYLBLAUUJJNKQ-NWDGAFQWSA-N 1 0 296.754 2.717 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827716335 624074588 /nfs/dbraw/zinc/07/45/88/624074588.db2.gz XCFPSJLTHCKIHY-NEPJUHHUSA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1ccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000828259703 624215705 /nfs/dbraw/zinc/21/57/05/624215705.db2.gz QUHMVAKCGLDYOT-CYBMUJFWSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCCCC2)c(F)c1F ZINC000829887903 624578422 /nfs/dbraw/zinc/57/84/22/624578422.db2.gz SDVQDJZNMFPRKY-UHFFFAOYSA-N 1 0 286.278 2.738 20 5 CFBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000929205806 624831600 /nfs/dbraw/zinc/83/16/00/624831600.db2.gz VUKKZISYZLMPHL-LBPRGKRZSA-N 1 0 256.733 2.903 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000831527673 625042396 /nfs/dbraw/zinc/04/23/96/625042396.db2.gz GRRHHZPBEXGWEA-YGRLFVJLSA-N 1 0 282.315 2.591 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000831539880 625047439 /nfs/dbraw/zinc/04/74/39/625047439.db2.gz ZYJUJHXMLCTYQN-GFCCVEGCSA-N 1 0 252.289 2.744 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H]1CC[NH2+]C1 ZINC000095027688 626026473 /nfs/dbraw/zinc/02/64/73/626026473.db2.gz IREJLCOOCAHGLC-ZETCQYMHSA-N 1 0 291.134 2.890 20 5 CFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922512438 626301238 /nfs/dbraw/zinc/30/12/38/626301238.db2.gz VGLKXXPFNLUZMC-CZULRBLNSA-N 1 0 252.339 2.790 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000922574200 626313220 /nfs/dbraw/zinc/31/32/20/626313220.db2.gz KIUMYYQHLLRVRL-ZDUSSCGKSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000922843215 626378248 /nfs/dbraw/zinc/37/82/48/626378248.db2.gz QPEIPSSQOJCACO-ZYHUDNBSSA-N 1 0 266.366 2.969 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000922842129 626378304 /nfs/dbraw/zinc/37/83/04/626378304.db2.gz HRGCORVWLZILDN-CMPLNLGQSA-N 1 0 266.366 2.969 20 5 CFBDRO C[N@H+](CCC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000162895761 626403359 /nfs/dbraw/zinc/40/33/59/626403359.db2.gz BLZLGVGDXALQOQ-UHFFFAOYSA-N 1 0 274.324 2.634 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)cs1 ZINC000923028305 626444774 /nfs/dbraw/zinc/44/47/74/626444774.db2.gz WLARPUKSKVBWJT-LLVKDONJSA-N 1 0 282.365 2.848 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1F ZINC000839144559 626526082 /nfs/dbraw/zinc/52/60/82/626526082.db2.gz VEQXXEWBXOOZBJ-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749320473 626540668 /nfs/dbraw/zinc/54/06/68/626540668.db2.gz SWTJEFMYTZKFFM-UHFFFAOYSA-N 1 0 299.321 2.840 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000839681189 626552160 /nfs/dbraw/zinc/55/21/60/626552160.db2.gz QNGRYXHYCGOCIH-GDBMZVCRSA-N 1 0 290.363 2.750 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000757704248 626559403 /nfs/dbraw/zinc/55/94/03/626559403.db2.gz IIQLVTXURXGSQY-LLVKDONJSA-N 1 0 294.351 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCO2)cc1Cl ZINC000761523051 626842409 /nfs/dbraw/zinc/84/24/09/626842409.db2.gz QFHWXEYUAXWKRE-LLVKDONJSA-N 1 0 284.743 2.907 20 5 CFBDRO CC[NH+](CC)CCOC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763422635 626987861 /nfs/dbraw/zinc/98/78/61/626987861.db2.gz GOXVHWFTSJMSAV-LBPRGKRZSA-N 1 0 294.351 2.583 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000765640993 627152384 /nfs/dbraw/zinc/15/23/84/627152384.db2.gz IRQBBOHXSFYCIS-RYUDHWBXSA-N 1 0 263.341 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(C(F)F)C2)cc1 ZINC000768712050 627366630 /nfs/dbraw/zinc/36/66/30/627366630.db2.gz RQSCWWPMGVFUPU-UHFFFAOYSA-N 1 0 256.252 2.728 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773011637 627768372 /nfs/dbraw/zinc/76/83/72/627768372.db2.gz IFIGXCYMDXRCPC-CABCVRRESA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1Cl ZINC000774778813 627962158 /nfs/dbraw/zinc/96/21/58/627962158.db2.gz LDDHHMIQLXKTPL-UHFFFAOYSA-N 1 0 271.704 2.903 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000775679032 628053766 /nfs/dbraw/zinc/05/37/66/628053766.db2.gz LMPXDQHVFDMCCA-VIFPVBQESA-N 1 0 255.343 2.553 20 5 CFBDRO CC(C)C([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000776027346 628095493 /nfs/dbraw/zinc/09/54/93/628095493.db2.gz CTHLDAQPRHCMRE-CQSZACIVSA-N 1 0 280.368 2.898 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274988 628124871 /nfs/dbraw/zinc/12/48/71/628124871.db2.gz FDUMUNAUFGRJQW-RISCZKNCSA-N 1 0 266.341 2.605 20 5 CFBDRO CO[C@H]1CC[C@@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038764 634633243 /nfs/dbraw/zinc/63/32/43/634633243.db2.gz RHKUSQSVWLXGIA-KGLIPLIRSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776598567 628164269 /nfs/dbraw/zinc/16/42/69/628164269.db2.gz RNJVUYKIGQOCLL-JMSVASOKSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H](C1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000777400907 628222269 /nfs/dbraw/zinc/22/22/69/628222269.db2.gz FXWPMOHKVQGNRE-GFCCVEGCSA-N 1 0 275.352 2.515 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000783571224 628721754 /nfs/dbraw/zinc/72/17/54/628721754.db2.gz JWHFLAXAZQJLEO-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783680286 628734106 /nfs/dbraw/zinc/73/41/06/628734106.db2.gz WAIYTQDHKBHYOG-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1Cl ZINC000783680075 628734125 /nfs/dbraw/zinc/73/41/25/628734125.db2.gz PVFPCVLUENUQFZ-WCQYABFASA-N 1 0 298.770 2.889 20 5 CFBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000786826708 628981199 /nfs/dbraw/zinc/98/11/99/628981199.db2.gz IGGHHQVBFSLDKT-UHFFFAOYSA-N 1 0 265.357 2.763 20 5 CFBDRO Cc1nn(CN2CCSC(C)(C)CC2)c(C)c1[N+](=O)[O-] ZINC000788377412 629061300 /nfs/dbraw/zinc/06/13/00/629061300.db2.gz UWDVADVYXPRBDZ-UHFFFAOYSA-N 1 0 298.412 2.583 20 5 CFBDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000788556557 629081914 /nfs/dbraw/zinc/08/19/14/629081914.db2.gz HJTKSJFBKFDOGU-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000788653907 629089282 /nfs/dbraw/zinc/08/92/82/629089282.db2.gz ZUROEKSRAKIKET-JTQLQIEISA-N 1 0 273.292 2.546 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290433 634712247 /nfs/dbraw/zinc/71/22/47/634712247.db2.gz IAEUIDBDNUFBBM-RISCZKNCSA-N 1 0 266.341 2.749 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000790900403 629270755 /nfs/dbraw/zinc/27/07/55/629270755.db2.gz VJYAQQLHWGFRAC-UHFFFAOYSA-N 1 0 297.270 2.770 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000791052454 629284200 /nfs/dbraw/zinc/28/42/00/629284200.db2.gz OFJWCKJQQZQVBS-QWHCGFSZSA-N 1 0 298.408 2.693 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792871914 629460830 /nfs/dbraw/zinc/46/08/30/629460830.db2.gz NUTWWYDFFSYHOG-AOOOYVTPSA-N 1 0 279.296 2.876 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000794685957 629674268 /nfs/dbraw/zinc/67/42/68/629674268.db2.gz OKEKKICZYNQOQN-NSHDSACASA-N 1 0 266.345 2.568 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000795192733 629743673 /nfs/dbraw/zinc/74/36/73/629743673.db2.gz NLBJRWNQWTWCMA-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO C[NH+]1CCC2(CCCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000798404862 630186953 /nfs/dbraw/zinc/18/69/53/630186953.db2.gz QLTQSEXRTADZAR-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852670008 634802912 /nfs/dbraw/zinc/80/29/12/634802912.db2.gz USEDYPASADVISW-CMPLNLGQSA-N 1 0 296.754 2.717 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000852716079 634812910 /nfs/dbraw/zinc/81/29/10/634812910.db2.gz HKJRWDDQYSPFAX-UHFFFAOYSA-N 1 0 297.374 2.944 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCCC2)cc1F ZINC000801523474 630453064 /nfs/dbraw/zinc/45/30/64/630453064.db2.gz HTFOKYNJVPRIIN-UHFFFAOYSA-N 1 0 296.342 2.909 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804320685 630671629 /nfs/dbraw/zinc/67/16/29/630671629.db2.gz SBGGAHPXFZHJLV-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000804444112 630681789 /nfs/dbraw/zinc/68/17/89/630681789.db2.gz UYHRHGWCGKTVRA-GFCCVEGCSA-N 1 0 291.351 2.551 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000804520023 630689358 /nfs/dbraw/zinc/68/93/58/630689358.db2.gz BAVJKLUYMYWVCT-SNVBAGLBSA-N 1 0 267.304 2.630 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840834940 631234978 /nfs/dbraw/zinc/23/49/78/631234978.db2.gz CHGKRIXIIADVKG-GHMZBOCLSA-N 1 0 281.356 2.500 20 5 CFBDRO [NH3+]CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000809736334 631273769 /nfs/dbraw/zinc/27/37/69/631273769.db2.gz PFEIKMRAZUTIGX-UHFFFAOYSA-N 1 0 277.349 2.622 20 5 CFBDRO CC(C)(C)CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736136 631274258 /nfs/dbraw/zinc/27/42/58/631274258.db2.gz GNIBFJLPBCYTMZ-UHFFFAOYSA-N 1 0 265.357 2.796 20 5 CFBDRO CC(C)C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841039028 631315857 /nfs/dbraw/zinc/31/58/57/631315857.db2.gz XNNAHZGWZZICKX-LLVKDONJSA-N 1 0 285.775 2.711 20 5 CFBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841072698 631331174 /nfs/dbraw/zinc/33/11/74/631331174.db2.gz MVIITBRDBBOZMS-ZDUSSCGKSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000841101712 631339650 /nfs/dbraw/zinc/33/96/50/631339650.db2.gz ZKKSNCWHUMHMNV-JQWIXIFHSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000841100159 631340133 /nfs/dbraw/zinc/34/01/33/631340133.db2.gz VZRITOOYAVLVRL-CMPLNLGQSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811483010 631568836 /nfs/dbraw/zinc/56/88/36/631568836.db2.gz AIMVGEHWHCOFLN-SSDOTTSWSA-N 1 0 293.150 2.762 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811517193 631575820 /nfs/dbraw/zinc/57/58/20/631575820.db2.gz KOHIBICYSNVSQR-BDAKNGLRSA-N 1 0 272.732 2.761 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])s1)C(C)C ZINC000811799180 631624257 /nfs/dbraw/zinc/62/42/57/631624257.db2.gz RLEYLHMYHRLGSV-UHFFFAOYSA-N 1 0 257.359 2.799 20 5 CFBDRO CC(C)(C)[C@@H](C[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842475034 631640223 /nfs/dbraw/zinc/64/02/23/631640223.db2.gz HHNNSHRLXZFVFH-GFCCVEGCSA-N 1 0 285.775 2.711 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476146 631641263 /nfs/dbraw/zinc/64/12/63/631641263.db2.gz HWAQVJSMEPUPJU-GPCCPHFNSA-N 1 0 297.786 2.724 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000812780419 631772986 /nfs/dbraw/zinc/77/29/86/631772986.db2.gz DLTJQKSUAMFMFV-LLVKDONJSA-N 1 0 284.743 2.859 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842915415 631781730 /nfs/dbraw/zinc/78/17/30/631781730.db2.gz GRMAJONDFGWCIH-DMDPSCGWSA-N 1 0 295.383 2.625 20 5 CFBDRO Cc1c(NC(=O)NCCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000843039764 631809698 /nfs/dbraw/zinc/80/96/98/631809698.db2.gz QINWDDXLVJWZIF-UHFFFAOYSA-N 1 0 294.355 2.544 20 5 CFBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000843052917 631817613 /nfs/dbraw/zinc/81/76/13/631817613.db2.gz OSSFNLFXEIPPEY-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO [NH3+]CCCCCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219007 631900703 /nfs/dbraw/zinc/90/07/03/631900703.db2.gz PBLKSVJKYCLJLG-UHFFFAOYSA-N 1 0 296.352 2.768 20 5 CFBDRO C[C@H]([NH2+]CCc1cscn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589633 632292952 /nfs/dbraw/zinc/29/29/52/632292952.db2.gz YUWPKCDXFRREIH-VIFPVBQESA-N 1 0 292.364 2.527 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000105908898 632434593 /nfs/dbraw/zinc/43/45/93/632434593.db2.gz BTVUYAHWMMYHCM-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845739787 632545870 /nfs/dbraw/zinc/54/58/70/632545870.db2.gz KDHDTYJARJHHRC-CYBMUJFWSA-N 1 0 292.335 2.624 20 5 CFBDRO [NH3+]CCCCCCCOc1cccc([N+](=O)[O-])c1 ZINC000818618106 632880956 /nfs/dbraw/zinc/88/09/56/632880956.db2.gz LRGBHSKWOSLTHI-UHFFFAOYSA-N 1 0 252.314 2.883 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000818967619 632917600 /nfs/dbraw/zinc/91/76/00/632917600.db2.gz XCQMGWXXBCWRRP-YOEHRIQHSA-N 1 0 298.342 2.558 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC23CCC(CC2)C3)c1 ZINC000819190026 633009101 /nfs/dbraw/zinc/00/91/01/633009101.db2.gz YSDHPNBNUNWGAF-DSSZZKGTSA-N 1 0 290.363 2.798 20 5 CFBDRO CCC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261886 633042934 /nfs/dbraw/zinc/04/29/34/633042934.db2.gz HOGNCXKWNWQSMF-ZDUSSCGKSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857080973 635926542 /nfs/dbraw/zinc/92/65/42/635926542.db2.gz MDLVCHSZUMFRDX-WCBMZHEXSA-N 1 0 285.294 2.873 20 5 CFBDRO Cc1ccc(CNC(=[NH2+])NCc2ccccc2[N+](=O)[O-])cc1 ZINC000849057998 633482622 /nfs/dbraw/zinc/48/26/22/633482622.db2.gz KCXIQDYCUMZJHR-UHFFFAOYSA-N 1 0 298.346 2.717 20 5 CFBDRO CC[C@H](C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849326231 633618604 /nfs/dbraw/zinc/61/86/04/633618604.db2.gz BIIAUCSZTZHEHX-SMDDNHRTSA-N 1 0 266.341 2.654 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000850461704 634004050 /nfs/dbraw/zinc/00/40/50/634004050.db2.gz JXFQGNXHSKCQPV-DGCLKSJQSA-N 1 0 292.335 2.947 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850535676 634040927 /nfs/dbraw/zinc/04/09/27/634040927.db2.gz ZFBISONQCZDLPP-MDZLAQPJSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850569891 634055945 /nfs/dbraw/zinc/05/59/45/634055945.db2.gz COJRSDCZCANQNE-ZYHUDNBSSA-N 1 0 293.367 2.643 20 5 CFBDRO CC(C)[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)[NH3+] ZINC000109504836 634069591 /nfs/dbraw/zinc/06/95/91/634069591.db2.gz WIYLMQXFZPVINN-BXKDBHETSA-N 1 0 290.323 2.732 20 5 CFBDRO CCC[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504644 634069655 /nfs/dbraw/zinc/06/96/55/634069655.db2.gz MJKSPSMQYVBTSO-VIFPVBQESA-N 1 0 276.296 2.705 20 5 CFBDRO CCC(CC)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000853136159 634917989 /nfs/dbraw/zinc/91/79/89/634917989.db2.gz WBSWLLWCJXEQJH-HNNXBMFYSA-N 1 0 294.399 2.955 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000853687616 635075173 /nfs/dbraw/zinc/07/51/73/635075173.db2.gz XPKCYBZAGKPRJK-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CN3C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000925490610 635837146 /nfs/dbraw/zinc/83/71/46/635837146.db2.gz BZPFGIWDCHVUCN-SNPRPXQTSA-N 1 0 289.379 2.648 20 5 CFBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512240 636017898 /nfs/dbraw/zinc/01/78/98/636017898.db2.gz MHAHSKNSWUTBFS-GXTWGEPZSA-N 1 0 286.335 2.627 20 5 CFBDRO C/C=C/C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858536470 636285733 /nfs/dbraw/zinc/28/57/33/636285733.db2.gz IGDNUXFCNSSWNW-NSCUHMNNSA-N 1 0 275.352 2.729 20 5 CFBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159151857 650249418 /nfs/dbraw/zinc/24/94/18/650249418.db2.gz BAELINQBQPEWRZ-SCZZXKLOSA-N 1 0 254.717 2.994 20 5 CFBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862468948 637396622 /nfs/dbraw/zinc/39/66/22/637396622.db2.gz UFZVUZHXMLAHDO-YGRLFVJLSA-N 1 0 296.754 2.905 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862541560 637415342 /nfs/dbraw/zinc/41/53/42/637415342.db2.gz WGIOPBIOWUTWOO-MGCOHNPYSA-N 1 0 270.716 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000863563557 637697233 /nfs/dbraw/zinc/69/72/33/637697233.db2.gz PSFGIVVCZHLITM-FAXLKDOZSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CC=CCC2)cc1 ZINC000863578207 637701489 /nfs/dbraw/zinc/70/14/89/637701489.db2.gz HHUHIXLGHOYYDW-BBRMVZONSA-N 1 0 290.363 2.964 20 5 CFBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865577064 638434363 /nfs/dbraw/zinc/43/43/63/638434363.db2.gz DYXSKJGSEWQQPX-UHFFFAOYSA-N 1 0 273.283 2.530 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000865734952 638543911 /nfs/dbraw/zinc/54/39/11/638543911.db2.gz XFPNRQQNAFKJFF-UMSPYCQHSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@H](O)[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000865741617 638546261 /nfs/dbraw/zinc/54/62/61/638546261.db2.gz QXLYBFWWEHBMDR-ORAYPTAESA-N 1 0 295.382 2.824 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000866208357 638770843 /nfs/dbraw/zinc/77/08/43/638770843.db2.gz TZCRAMHEZWJFIL-ZWNOBZJWSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000866208355 638770918 /nfs/dbraw/zinc/77/09/18/638770918.db2.gz TZCRAMHEZWJFIL-GXFFZTMASA-N 1 0 295.770 2.779 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]1C ZINC000866241951 638778080 /nfs/dbraw/zinc/77/80/80/638778080.db2.gz HOTHATKMLUWHMF-UMNHJUIQSA-N 1 0 266.316 2.911 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCCC1 ZINC000866265550 638784336 /nfs/dbraw/zinc/78/43/36/638784336.db2.gz NKRMQGROFVJWHG-NSHDSACASA-N 1 0 296.342 2.560 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866281560 638788348 /nfs/dbraw/zinc/78/83/48/638788348.db2.gz RCHMWLMSNXJDKB-RYUDHWBXSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866312991 638795633 /nfs/dbraw/zinc/79/56/33/638795633.db2.gz TWBICZRXGYZSGN-VXGBXAGGSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@@H]1C ZINC000866348900 638801385 /nfs/dbraw/zinc/80/13/85/638801385.db2.gz UCHXGECZLQWERV-MISXGVKJSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@@H](CCCCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866362783 638804426 /nfs/dbraw/zinc/80/44/26/638804426.db2.gz DHFMBKJRZBLLJG-RYUDHWBXSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)O ZINC000866364310 638804816 /nfs/dbraw/zinc/80/48/16/638804816.db2.gz QWIGJTPOUXQEDQ-MNOVXSKESA-N 1 0 298.358 2.804 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866498993 638831182 /nfs/dbraw/zinc/83/11/82/638831182.db2.gz CBULCFDGRCICMZ-GTNGPMTGSA-N 1 0 289.257 2.778 20 5 CFBDRO COC(C)(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866505470 638831879 /nfs/dbraw/zinc/83/18/79/638831879.db2.gz MNTPOKUSYANLRU-ZDUSSCGKSA-N 1 0 278.352 2.987 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OCC[C@H]1CC[NH2+]C1 ZINC000122534037 639186342 /nfs/dbraw/zinc/18/63/42/639186342.db2.gz NPFBEDYAQZYXRQ-MRVPVSSYSA-N 1 0 288.706 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000871789495 641458350 /nfs/dbraw/zinc/45/83/50/641458350.db2.gz ZDPRESPVUOVHAG-JTQLQIEISA-N 1 0 288.307 2.686 20 5 CFBDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000871933788 641516618 /nfs/dbraw/zinc/51/66/18/641516618.db2.gz YRMFAEBSZPDMIJ-AAEUAGOBSA-N 1 0 292.335 2.589 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025106 641557059 /nfs/dbraw/zinc/55/70/59/641557059.db2.gz ZIOHDOXDBUKURJ-GHMZBOCLSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026042 641557573 /nfs/dbraw/zinc/55/75/73/641557573.db2.gz XXZQGDAPCSBOJN-YGRLFVJLSA-N 1 0 295.358 2.725 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034475 641565705 /nfs/dbraw/zinc/56/57/05/641565705.db2.gz OTNVZXUDGJFEBL-MNOVXSKESA-N 1 0 293.342 2.621 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034477 641566365 /nfs/dbraw/zinc/56/63/65/641566365.db2.gz OTNVZXUDGJFEBL-QWRGUYRKSA-N 1 0 293.342 2.621 20 5 CFBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036000 641568754 /nfs/dbraw/zinc/56/87/54/641568754.db2.gz OTUWIZRHBYEEIK-YMTOWFKASA-N 1 0 282.315 2.546 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037652 641570625 /nfs/dbraw/zinc/57/06/25/641570625.db2.gz HJURBKPODZJWHS-NXEZZACHSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872041423 641575873 /nfs/dbraw/zinc/57/58/73/641575873.db2.gz SRVPANYROJLQJD-JTQLQIEISA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052349 641585899 /nfs/dbraw/zinc/58/58/99/641585899.db2.gz CMIORZOMMYMIAZ-GHMZBOCLSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079581 641612312 /nfs/dbraw/zinc/61/23/12/641612312.db2.gz JDGDKBWNAOTABK-SRVKXCTJSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083080 641617176 /nfs/dbraw/zinc/61/71/76/641617176.db2.gz GVKKBWXSNKPAFU-MRGUHSIWSA-N 1 0 280.299 2.704 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085076 641619000 /nfs/dbraw/zinc/61/90/00/641619000.db2.gz NGPSZDYGADSMDV-SKDRFNHKSA-N 1 0 282.315 2.546 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872084720 641619461 /nfs/dbraw/zinc/61/94/61/641619461.db2.gz UJNTWLNLUWLEND-JTQLQIEISA-N 1 0 282.315 2.811 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126252 641654269 /nfs/dbraw/zinc/65/42/69/641654269.db2.gz KAJOACAQXDUBJL-NHCYSSNCSA-N 1 0 296.392 2.738 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129835 641657402 /nfs/dbraw/zinc/65/74/02/641657402.db2.gz XXYJNDFPIFIVHI-DMDPSCGWSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC23CC3)c1 ZINC000872218457 641706853 /nfs/dbraw/zinc/70/68/53/641706853.db2.gz OGILMEWTXRWBGT-KGLIPLIRSA-N 1 0 276.336 2.551 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1F ZINC000872315023 641753027 /nfs/dbraw/zinc/75/30/27/641753027.db2.gz KJXRXHQNMCWLHP-KGLIPLIRSA-N 1 0 280.299 2.535 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780723 641934522 /nfs/dbraw/zinc/93/45/22/641934522.db2.gz MTYCVWKWAVLUJW-NWDGAFQWSA-N 1 0 295.770 2.921 20 5 CFBDRO Cc1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781388 641936033 /nfs/dbraw/zinc/93/60/33/641936033.db2.gz SMXKJZCNSLVVME-OLZOCXBDSA-N 1 0 275.352 2.576 20 5 CFBDRO CC[C@H](CNCc1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000873013226 641984375 /nfs/dbraw/zinc/98/43/75/641984375.db2.gz XIOISLJNGWOQGL-OAHLLOKOSA-N 1 0 291.395 2.867 20 5 CFBDRO CC[C@@H](CNCc1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 ZINC000873013225 641984524 /nfs/dbraw/zinc/98/45/24/641984524.db2.gz XIOISLJNGWOQGL-HNNXBMFYSA-N 1 0 291.395 2.867 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000873016045 641985532 /nfs/dbraw/zinc/98/55/32/641985532.db2.gz DDQGHYMKYXQANS-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCOC1 ZINC000873020796 641987509 /nfs/dbraw/zinc/98/75/09/641987509.db2.gz AVBQVTOBYCPHJJ-CYBMUJFWSA-N 1 0 278.352 2.728 20 5 CFBDRO Cc1c(C[NH2+][C@H]2c3ccccc3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000873037353 641991676 /nfs/dbraw/zinc/99/16/76/641991676.db2.gz UWCRUKCJSKELDG-SJORKVTESA-N 1 0 298.342 2.651 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873052466 641996643 /nfs/dbraw/zinc/99/66/43/641996643.db2.gz YDTSTXLSGQJCKS-BONVTDFDSA-N 1 0 280.368 2.708 20 5 CFBDRO CC[C@@H](CCO)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873075105 642005051 /nfs/dbraw/zinc/00/50/51/642005051.db2.gz VHASFSQJFYOQCY-ZDUSSCGKSA-N 1 0 280.368 2.710 20 5 CFBDRO Cc1c(C[NH2+][C@H](CO)CC2CCC2)cccc1[N+](=O)[O-] ZINC000873117673 642017970 /nfs/dbraw/zinc/01/79/70/642017970.db2.gz LTRVTLKEOYGZJF-AWEZNQCLSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(C)(C)CO ZINC000873128782 642021156 /nfs/dbraw/zinc/02/11/56/642021156.db2.gz DEGNQEYMYPVGBB-UHFFFAOYSA-N 1 0 280.368 2.710 20 5 CFBDRO COCC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130263 642021871 /nfs/dbraw/zinc/02/18/71/642021871.db2.gz CKNKXARXDPZOCA-NSHDSACASA-N 1 0 266.341 2.665 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)CCCO ZINC000873129979 642022499 /nfs/dbraw/zinc/02/24/99/642022499.db2.gz XGOREYFCWOLHRG-LLVKDONJSA-N 1 0 280.368 2.710 20 5 CFBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873133109 642023087 /nfs/dbraw/zinc/02/30/87/642023087.db2.gz CSVXBWSGKQLORZ-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CC(C)(C)O ZINC000873131359 642023817 /nfs/dbraw/zinc/02/38/17/642023817.db2.gz NYWFPFOKHUNZQK-LLVKDONJSA-N 1 0 280.368 2.851 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873146861 642030398 /nfs/dbraw/zinc/03/03/98/642030398.db2.gz PZMUSZRNWAMDBM-ZDUSSCGKSA-N 1 0 280.368 2.852 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cs1 ZINC000873154839 642036051 /nfs/dbraw/zinc/03/60/51/642036051.db2.gz BKYSPUVUJXODOS-GRYCIOLGSA-N 1 0 282.365 2.704 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000873157445 642040544 /nfs/dbraw/zinc/04/05/44/642040544.db2.gz YSYISEMZHFBAGY-DZKIICNBSA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000873231098 642084093 /nfs/dbraw/zinc/08/40/93/642084093.db2.gz HDSKIVOTWGRNLL-KGLIPLIRSA-N 1 0 295.770 2.622 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000125231300 642564176 /nfs/dbraw/zinc/56/41/76/642564176.db2.gz YPFRYMSXJMVQPT-GFCCVEGCSA-N 1 0 284.406 2.533 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000876757929 642997274 /nfs/dbraw/zinc/99/72/74/642997274.db2.gz CNXUCNKOKVWOHS-HNNXBMFYSA-N 1 0 278.352 2.558 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000876804934 643016399 /nfs/dbraw/zinc/01/63/99/643016399.db2.gz WKYAPTAGRYUGAL-CJNGLKHVSA-N 1 0 292.379 2.804 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876970089 643087135 /nfs/dbraw/zinc/08/71/35/643087135.db2.gz INSHVBTXGUCNNY-QYNFOATHSA-N 1 0 266.345 2.519 20 5 CFBDRO C[C@@H](CCC1CC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877398915 643259833 /nfs/dbraw/zinc/25/98/33/643259833.db2.gz JGBMNVOLSSYBLU-PKSQDBQZSA-N 1 0 278.356 2.663 20 5 CFBDRO CSCCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877423086 643265245 /nfs/dbraw/zinc/26/52/45/643265245.db2.gz SHDMOBYFJAYRCD-UHFFFAOYSA-N 1 0 298.412 2.618 20 5 CFBDRO Cc1c(C[NH+]2CC(C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000877499368 643311757 /nfs/dbraw/zinc/31/17/57/643311757.db2.gz FOTVSYYYBOXTEZ-UHFFFAOYSA-N 1 0 290.363 2.762 20 5 CFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccsc1 ZINC000877502878 643314418 /nfs/dbraw/zinc/31/44/18/643314418.db2.gz VAXKBQDUJHLBIA-GCVQQVDUSA-N 1 0 292.364 2.907 20 5 CFBDRO CO[C@H](C)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877524338 643327703 /nfs/dbraw/zinc/32/77/03/643327703.db2.gz VNELLILWUCENTJ-LLVKDONJSA-N 1 0 266.341 2.678 20 5 CFBDRO COC(=O)CCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000877524245 643327925 /nfs/dbraw/zinc/32/79/25/643327925.db2.gz ULXZKOLUDLSSSE-UHFFFAOYSA-N 1 0 294.351 2.726 20 5 CFBDRO Cc1c(C[NH+]2CC3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000877581005 643378023 /nfs/dbraw/zinc/37/80/23/643378023.db2.gz VNHYHTVKASZYFS-UHFFFAOYSA-N 1 0 276.336 2.516 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CSC1 ZINC000877634046 643417645 /nfs/dbraw/zinc/41/76/45/643417645.db2.gz DANXJTAQEUAGJZ-YHYXMXQVSA-N 1 0 264.350 2.703 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)O1 ZINC000877683207 643452136 /nfs/dbraw/zinc/45/21/36/643452136.db2.gz UIWCYIZYGBOAHW-KBVBSXBZSA-N 1 0 284.743 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000877738958 643502576 /nfs/dbraw/zinc/50/25/76/643502576.db2.gz QTZXREBBEPHCIE-KGLIPLIRSA-N 1 0 292.404 2.822 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877777727 643554005 /nfs/dbraw/zinc/55/40/05/643554005.db2.gz CSGNIGHBAREPHO-MWLCHTKSSA-N 1 0 286.759 2.887 20 5 CFBDRO CC(C)(O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877835344 643601884 /nfs/dbraw/zinc/60/18/84/643601884.db2.gz PKSULHPASVZALB-BRLPQQTGSA-N 1 0 290.363 2.701 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1OCC1CC[NH2+]CC1 ZINC000126901436 643733437 /nfs/dbraw/zinc/73/34/37/643733437.db2.gz UWAVIKCVRTUFDX-UHFFFAOYSA-N 1 0 270.716 2.627 20 5 CFBDRO CC(C)[C@H](O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878202841 643792478 /nfs/dbraw/zinc/79/24/78/643792478.db2.gz UOOREXKUONIENH-MRXNPFEDSA-N 1 0 292.379 2.966 20 5 CFBDRO CO[C@H]1C[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000878203180 643793131 /nfs/dbraw/zinc/79/31/31/643793131.db2.gz ZVGADBIZVLOWII-AKAXFMLLSA-N 1 0 290.363 2.984 20 5 CFBDRO C=C/C=C/CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251651 643808120 /nfs/dbraw/zinc/80/81/20/643808120.db2.gz PQVHPCRKKBUZEX-ITDFMYJTSA-N 1 0 288.351 2.608 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000878319887 643838095 /nfs/dbraw/zinc/83/80/95/643838095.db2.gz CQSVDLKDHXOUEY-LLVKDONJSA-N 1 0 270.279 2.990 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000878416613 643884413 /nfs/dbraw/zinc/88/44/13/643884413.db2.gz MLBQXYLJWOWZLU-SNVBAGLBSA-N 1 0 294.380 2.820 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CCF)CC2)cc1 ZINC000879209949 644177145 /nfs/dbraw/zinc/17/71/45/644177145.db2.gz XJXDFURXGMJKOC-HNNXBMFYSA-N 1 0 296.342 2.700 20 5 CFBDRO C=C/C=C\CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879271972 644202858 /nfs/dbraw/zinc/20/28/58/644202858.db2.gz JSKJYNGORMFHSU-FOSCPCJNSA-N 1 0 276.336 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000880295770 644635447 /nfs/dbraw/zinc/63/54/47/644635447.db2.gz OTHWQXXWNJHZPD-GFCCVEGCSA-N 1 0 282.315 2.655 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC000880511464 644744915 /nfs/dbraw/zinc/74/49/15/644744915.db2.gz MPCYMKXBPRTNGV-CABCVRRESA-N 1 0 276.336 2.786 20 5 CFBDRO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000881807916 645131769 /nfs/dbraw/zinc/13/17/69/645131769.db2.gz GZADYSQGFLEEDY-WDEREUQCSA-N 1 0 296.346 2.661 20 5 CFBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756405 645563755 /nfs/dbraw/zinc/56/37/55/645563755.db2.gz GDOLQHAEEVTEBM-VXGBXAGGSA-N 1 0 266.345 2.649 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2C=CCC2)c([N+](=O)[O-])cc1OC ZINC000883238508 645687237 /nfs/dbraw/zinc/68/72/37/645687237.db2.gz DYUGZRZTQOYTLA-LLVKDONJSA-N 1 0 292.335 2.668 20 5 CFBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000883355710 645761312 /nfs/dbraw/zinc/76/13/12/645761312.db2.gz WPDFZYGOUYFAJD-ZFWWWQNUSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000135282755 646507359 /nfs/dbraw/zinc/50/73/59/646507359.db2.gz BORMVMGMEXSSMR-QJPTWQEYSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000884855523 646560398 /nfs/dbraw/zinc/56/03/98/646560398.db2.gz IVTNJEBSYMRZPT-ZDUSSCGKSA-N 1 0 298.346 2.705 20 5 CFBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000884855880 646560554 /nfs/dbraw/zinc/56/05/54/646560554.db2.gz SXKZHWFNMQIREB-ZDUSSCGKSA-N 1 0 298.346 2.705 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140892 646891812 /nfs/dbraw/zinc/89/18/12/646891812.db2.gz RYZJPGNBVWWZLA-NTZNESFSSA-N 1 0 263.341 2.904 20 5 CFBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166991 646904879 /nfs/dbraw/zinc/90/48/79/646904879.db2.gz XNQJMKGWMPNHBY-UTUOFQBUSA-N 1 0 263.341 2.856 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CCC2)CC1 ZINC000886202822 646918219 /nfs/dbraw/zinc/91/82/19/646918219.db2.gz FSRGVWAGZOBHAA-UHFFFAOYSA-N 1 0 261.325 2.756 20 5 CFBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000886209442 646922226 /nfs/dbraw/zinc/92/22/26/646922226.db2.gz NAAIFSDUSRQPFE-CYBMUJFWSA-N 1 0 293.367 2.769 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886215426 646924958 /nfs/dbraw/zinc/92/49/58/646924958.db2.gz KDHAIJJMYHMNNU-LRDDRELGSA-N 1 0 290.363 2.846 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000218795082 646927473 /nfs/dbraw/zinc/92/74/73/646927473.db2.gz PPJFLUJOCPHDQZ-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000886245465 646935971 /nfs/dbraw/zinc/93/59/71/646935971.db2.gz WTSHBYDWVGMPFP-UHFFFAOYSA-N 1 0 293.392 2.851 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000886285575 646953474 /nfs/dbraw/zinc/95/34/74/646953474.db2.gz MORAOYJFBYQGCV-CQSZACIVSA-N 1 0 290.363 2.952 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1 ZINC000886291083 646956321 /nfs/dbraw/zinc/95/63/21/646956321.db2.gz WXHUAVAFWVQJMY-AWEZNQCLSA-N 1 0 276.336 2.644 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886290839 646956629 /nfs/dbraw/zinc/95/66/29/646956629.db2.gz OYTJRKBRVFTOMP-ZDUSSCGKSA-N 1 0 276.336 2.644 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(CO)CCCCCCC1 ZINC000886308476 646962297 /nfs/dbraw/zinc/96/22/97/646962297.db2.gz DWYYYPHOHOSPEU-UHFFFAOYSA-N 1 0 293.367 2.555 20 5 CFBDRO Cc1c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000219246164 646991107 /nfs/dbraw/zinc/99/11/07/646991107.db2.gz YRVZHIFNDYPEPR-HOCLYGCPSA-N 1 0 289.379 2.620 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886836088 647157648 /nfs/dbraw/zinc/15/76/48/647157648.db2.gz VLQRBARUWNWFSB-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000886834733 647157692 /nfs/dbraw/zinc/15/76/92/647157692.db2.gz CCKKFKHYUUGWIM-HOCLYGCPSA-N 1 0 290.363 2.904 20 5 CFBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000300670500 647347130 /nfs/dbraw/zinc/34/71/30/647347130.db2.gz OETHHHHTVJPGBU-YUTCNCBUSA-N 1 0 296.392 2.502 20 5 CFBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924956808 648079425 /nfs/dbraw/zinc/07/94/25/648079425.db2.gz YQQVWJQOIZDDJY-HOTGVXAUSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@@H]1OC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000925465872 648176000 /nfs/dbraw/zinc/17/60/00/648176000.db2.gz JIIBRWGELBFEAP-DVOMOZLQSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H]1COC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925465110 648176504 /nfs/dbraw/zinc/17/65/04/648176504.db2.gz GRVZXLXYPQMBMQ-DOMZBBRYSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)nn1 ZINC000930208999 649207305 /nfs/dbraw/zinc/20/73/05/649207305.db2.gz ZMYDIIOONPSQDC-NSHDSACASA-N 1 0 286.335 2.852 20 5 CFBDRO O=[N+]([O-])CCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000930846222 649335053 /nfs/dbraw/zinc/33/50/53/649335053.db2.gz XXBIWIHPPZCWAH-UHFFFAOYSA-N 1 0 272.304 2.581 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931046958 649370253 /nfs/dbraw/zinc/37/02/53/649370253.db2.gz CSPRXAPCQOBMCN-LALPHHSUSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931043695 649370463 /nfs/dbraw/zinc/37/04/63/649370463.db2.gz UFAPEOFXTSFGDO-BZPMIXESSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931043689 649370573 /nfs/dbraw/zinc/37/05/73/649370573.db2.gz UBZICSWVBJWQJW-GXFFZTMASA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000931043927 649370630 /nfs/dbraw/zinc/37/06/30/649370630.db2.gz RRTHTBYWTHPHRO-HZMBPMFUSA-N 1 0 297.786 2.773 20 5 CFBDRO COc1ccccc1[C@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000931565743 649455410 /nfs/dbraw/zinc/45/54/10/649455410.db2.gz WUBUHXKCXYZCSZ-ZDUSSCGKSA-N 1 0 278.352 2.541 20 5 CFBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105829 649750527 /nfs/dbraw/zinc/75/05/27/649750527.db2.gz QFMQPWSUKMUPPI-GXTWGEPZSA-N 1 0 264.325 2.512 20 5 CFBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934127676 649753034 /nfs/dbraw/zinc/75/30/34/649753034.db2.gz NZMAOOTXPLGFHF-DDTOSNHZSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000934620814 649805525 /nfs/dbraw/zinc/80/55/25/649805525.db2.gz HRCMUUIYVLEQGC-ZYHUDNBSSA-N 1 0 286.335 2.915 20 5 CFBDRO O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccncc1)C1CC1 ZINC000934699347 649816624 /nfs/dbraw/zinc/81/66/24/649816624.db2.gz VWNFBXOZZXHYRF-INIZCTEOSA-N 1 0 299.330 2.936 20 5 CFBDRO O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934699348 649816747 /nfs/dbraw/zinc/81/67/47/649816747.db2.gz VWNFBXOZZXHYRF-MRXNPFEDSA-N 1 0 299.330 2.936 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000934765690 649825636 /nfs/dbraw/zinc/82/56/36/649825636.db2.gz HELOWECRSBRMIZ-RISCZKNCSA-N 1 0 296.367 2.919 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420403751 651089461 /nfs/dbraw/zinc/08/94/61/651089461.db2.gz NOXYUBQTZGGHEO-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001224624596 778605305 /nfs/dbraw/zinc/60/53/05/778605305.db2.gz YFDRCIJTKKFUFV-GFCCVEGCSA-N 1 0 267.349 2.769 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001167281403 770206901 /nfs/dbraw/zinc/20/69/01/770206901.db2.gz ZFQKQCLMNYSWKF-NSHDSACASA-N 1 0 271.320 2.864 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cs1 ZINC000723996944 770738368 /nfs/dbraw/zinc/73/83/68/770738368.db2.gz QQBKVWBBEYPPCF-TZMCWYRMSA-N 1 0 296.392 2.951 20 5 CFBDRO [NH3+]Cc1cccn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001167590127 770948086 /nfs/dbraw/zinc/94/80/86/770948086.db2.gz SLGSXIAXARBQCU-UHFFFAOYSA-N 1 0 286.266 2.532 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2SCCS2)cs1 ZINC000693779058 773248871 /nfs/dbraw/zinc/24/88/71/773248871.db2.gz CAPZNUBIUCAOHE-UHFFFAOYSA-N 1 0 290.435 2.942 20 5 CFBDRO C[N@@H+]1CCC[C@H](OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224331254 775159753 /nfs/dbraw/zinc/15/97/53/775159753.db2.gz NSPACVFPXOQHTB-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO COc1ccc2c(c1)CC[C@H](OCCC[N+](C)(C)C)C2 ZINC001224621625 775229691 /nfs/dbraw/zinc/22/96/91/775229691.db2.gz YGCVIUOGCGYNRA-KRWDZBQOSA-N 1 0 278.416 2.665 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC000725078130 775268105 /nfs/dbraw/zinc/26/81/05/775268105.db2.gz UNSGIFCSQMTULV-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO CCOc1ccc(CCO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001225067410 775349103 /nfs/dbraw/zinc/34/91/03/775349103.db2.gz GLLJDEGMQFSFNU-AWEZNQCLSA-N 1 0 266.405 2.739 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000694332768 775446039 /nfs/dbraw/zinc/44/60/39/775446039.db2.gz PKSBEIHWXKFUIE-NEPJUHHUSA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001218062525 775466456 /nfs/dbraw/zinc/46/64/56/775466456.db2.gz VDBFPIQRLFIPPI-JOYOIKCWSA-N 1 0 264.325 2.731 20 5 CFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cn1)C2 ZINC001225630820 775531759 /nfs/dbraw/zinc/53/17/59/775531759.db2.gz GKBORVANGOKQSA-IMRBUKKESA-N 1 0 291.351 2.772 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293093018 775560380 /nfs/dbraw/zinc/56/03/80/775560380.db2.gz KOSYBWKTMBYESC-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccccc2s1 ZINC001225696822 775562169 /nfs/dbraw/zinc/56/21/69/775562169.db2.gz ZBPSWCMMMWFFAH-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO COc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001225767625 775587877 /nfs/dbraw/zinc/58/78/77/775587877.db2.gz QKHFNBLEHSDGIO-PJXYFTJBSA-N 1 0 292.335 2.607 20 5 CFBDRO CC(C)(C)N1CC(Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225794863 775596074 /nfs/dbraw/zinc/59/60/74/775596074.db2.gz WYSCKZOLFLNTJO-UHFFFAOYSA-N 1 0 268.288 2.595 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001225804408 775598358 /nfs/dbraw/zinc/59/83/58/775598358.db2.gz SHTMUMLPKZWPBZ-CYBMUJFWSA-N 1 0 292.335 2.661 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225915736 775633957 /nfs/dbraw/zinc/63/39/57/775633957.db2.gz MKHBEXYBCSZIEU-LBPRGKRZSA-N 1 0 282.315 2.986 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225943328 775643598 /nfs/dbraw/zinc/64/35/98/775643598.db2.gz YSGJISMJYYKSEA-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1F ZINC001225945426 775643800 /nfs/dbraw/zinc/64/38/00/775643800.db2.gz GFMYANAOKZAKJQ-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961848 775648935 /nfs/dbraw/zinc/64/89/35/775648935.db2.gz APDZUTPSKRMOCS-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CC[NH2+]C[C@@H]1C ZINC001218418500 775652477 /nfs/dbraw/zinc/65/24/77/775652477.db2.gz ZXAKCQAVHAPIDL-TVQRCGJNSA-N 1 0 264.325 2.588 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001218419638 775652560 /nfs/dbraw/zinc/65/25/60/775652560.db2.gz CEJKNMWIZPUOAP-IINYFYTJSA-N 1 0 264.325 2.588 20 5 CFBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001226033074 775674275 /nfs/dbraw/zinc/67/42/75/775674275.db2.gz MIXYYPKLXUETBD-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)c1 ZINC001226448503 775827244 /nfs/dbraw/zinc/82/72/44/775827244.db2.gz YJKZNTRJFPBZFN-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO C[C@@H](Oc1cc[nH+]c(N)c1)c1ccccc1[N+](=O)[O-] ZINC001226655999 775907295 /nfs/dbraw/zinc/90/72/95/775907295.db2.gz KAWVFYCQBBJJMB-SECBINFHSA-N 1 0 259.265 2.712 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001226744850 775943756 /nfs/dbraw/zinc/94/37/56/775943756.db2.gz UULDITBLSJBGPT-DOFRTFSJSA-N 1 0 298.289 2.877 20 5 CFBDRO CC(=O)Nc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001226880423 776001016 /nfs/dbraw/zinc/00/10/16/776001016.db2.gz ROORCMFRLBTFQR-JTQLQIEISA-O 1 0 285.795 2.772 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908121 776011280 /nfs/dbraw/zinc/01/12/80/776011280.db2.gz DNSJXDYFYCQFID-MRVPVSSYSA-N 1 0 288.706 2.860 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226908054 776012345 /nfs/dbraw/zinc/01/23/45/776012345.db2.gz BIPKYYVZWFKRJK-MRVPVSSYSA-N 1 0 291.730 2.861 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001226969698 776038847 /nfs/dbraw/zinc/03/88/47/776038847.db2.gz SURWPUVUDQSDPC-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO CCCc1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001227148945 776115704 /nfs/dbraw/zinc/11/57/04/776115704.db2.gz BKEKQCKNAXENAG-GFCCVEGCSA-O 1 0 252.378 2.818 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233738 776148572 /nfs/dbraw/zinc/14/85/72/776148572.db2.gz GBGOGYUTYRTRST-NSHDSACASA-N 1 0 291.307 2.599 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)CC1 ZINC001227239660 776152792 /nfs/dbraw/zinc/15/27/92/776152792.db2.gz ZPHCWZYXVNSMQE-SNVBAGLBSA-N 1 0 291.307 2.599 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2cc(Cl)ncc21 ZINC001227856105 776311131 /nfs/dbraw/zinc/31/11/31/776311131.db2.gz WUONIOITLIZEOB-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO Cc1cccc2c(O[C@@H](C)C[N+](C)(C)C)cc(=O)[nH]c12 ZINC001227920374 776330102 /nfs/dbraw/zinc/33/01/02/776330102.db2.gz XYGFSULWSFGTCV-LBPRGKRZSA-O 1 0 275.372 2.722 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228014010 776362906 /nfs/dbraw/zinc/36/29/06/776362906.db2.gz CTOLUJIXHZGKEJ-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135766 776405624 /nfs/dbraw/zinc/40/56/24/776405624.db2.gz MVHOEFPMXFFAHP-NSHDSACASA-N 1 0 287.319 2.616 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001228572121 776525469 /nfs/dbraw/zinc/52/54/69/776525469.db2.gz XEAYJPXBQRKKNL-CQSZACIVSA-N 1 0 276.336 2.685 20 5 CFBDRO Cc1ccc(COC2C[NH+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001223226931 776526283 /nfs/dbraw/zinc/52/62/83/776526283.db2.gz YQTAXWONEUJJED-UHFFFAOYSA-N 1 0 278.352 2.903 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c3ccccc3[nH]c21 ZINC001228782912 776610482 /nfs/dbraw/zinc/61/04/82/776610482.db2.gz HUNVCHJWSRNZNP-NSHDSACASA-N 1 0 285.371 2.585 20 5 CFBDRO O=[N+]([O-])c1ccc2ccnc(O[C@@H]3C[NH+]4CCC3CC4)c2c1 ZINC001229007084 776687547 /nfs/dbraw/zinc/68/75/47/776687547.db2.gz FLPOBQDFCLADMO-OAHLLOKOSA-N 1 0 299.330 2.616 20 5 CFBDRO O=[N+]([O-])c1ccc2ccnc(O[C@H]3C[NH+]4CCC3CC4)c2c1 ZINC001229007083 776687591 /nfs/dbraw/zinc/68/75/91/776687591.db2.gz FLPOBQDFCLADMO-HNNXBMFYSA-N 1 0 299.330 2.616 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001229396825 776799030 /nfs/dbraw/zinc/79/90/30/776799030.db2.gz ZJCZQEOCPBNRTC-UHFFFAOYSA-N 1 0 294.351 2.942 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2O)CC1 ZINC001229395966 776800351 /nfs/dbraw/zinc/80/03/51/776800351.db2.gz OCACTVCSYUBXQA-UMSPYCQHSA-N 1 0 280.324 2.552 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c2cccnc2n1 ZINC001229508530 776833757 /nfs/dbraw/zinc/83/37/57/776833757.db2.gz AVOSZTBIAPGUSD-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c2cccnc2n1 ZINC001229508529 776834215 /nfs/dbraw/zinc/83/42/15/776834215.db2.gz AVOSZTBIAPGUSD-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO CC(=O)n1cc(O[C@H](C)C[N+](C)(C)C)c2ccccc21 ZINC001229535234 776842885 /nfs/dbraw/zinc/84/28/85/776842885.db2.gz ZGQWOKLPSLQBIU-GFCCVEGCSA-N 1 0 275.372 2.775 20 5 CFBDRO Cc1cc(O)c(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001229754045 776889002 /nfs/dbraw/zinc/88/90/02/776889002.db2.gz LDVQVZZLDGAILN-HAQNSBGRSA-N 1 0 294.351 2.860 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c2c1C(=O)CC2 ZINC001229842374 776901938 /nfs/dbraw/zinc/90/19/38/776901938.db2.gz CAMYFTLWZZXCML-SNVBAGLBSA-N 1 0 282.791 2.942 20 5 CFBDRO Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001230143248 776955201 /nfs/dbraw/zinc/95/52/01/776955201.db2.gz HRZUERWDLBHECZ-ITGUQSILSA-N 1 0 276.336 2.907 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001230144969 776955522 /nfs/dbraw/zinc/95/55/22/776955522.db2.gz BNDUSQQDRAWQGR-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2scnc2c1 ZINC001230232296 776962259 /nfs/dbraw/zinc/96/22/59/776962259.db2.gz GUJRYUZULCRXTH-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001231058894 777128808 /nfs/dbraw/zinc/12/88/08/777128808.db2.gz DSAGICPAYHBAQS-CYBMUJFWSA-N 1 0 276.336 2.685 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667860 777158422 /nfs/dbraw/zinc/15/84/22/777158422.db2.gz VHRPWDZGPPMZCB-JTQLQIEISA-N 1 0 268.288 2.595 20 5 CFBDRO C[NH+](C)CCNc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001161671280 777487057 /nfs/dbraw/zinc/48/70/57/777487057.db2.gz OMAQKHZZYPPDRY-UHFFFAOYSA-N 1 0 265.357 2.866 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1OC1CCC([NH+](C)C)CC1 ZINC001226762474 777636543 /nfs/dbraw/zinc/63/65/43/777636543.db2.gz VZLCGAAXCANSID-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ncc(F)cc21 ZINC001233637095 778020562 /nfs/dbraw/zinc/02/05/62/778020562.db2.gz SAZLSCIAXDGWRG-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CCCC[NH2+]C1 ZINC000697073858 778041271 /nfs/dbraw/zinc/04/12/71/778041271.db2.gz GEAPGVHWOZXQFT-LBPRGKRZSA-N 1 0 264.325 2.672 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233716712 778052460 /nfs/dbraw/zinc/05/24/60/778052460.db2.gz QFTRWRDTBNBJQA-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093212789 778090446 /nfs/dbraw/zinc/09/04/46/778090446.db2.gz LNSCUYKJOIVDJA-BDAKNGLRSA-N 1 0 269.732 2.930 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)nc1 ZINC001234177131 778180305 /nfs/dbraw/zinc/18/03/05/778180305.db2.gz UBFWWXIYOSQWNC-GFCCVEGCSA-N 1 0 251.394 2.853 20 5 CFBDRO COc1cc(C)cc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001234227636 778189501 /nfs/dbraw/zinc/18/95/01/778189501.db2.gz JMMUKEIHDHREHU-LLVKDONJSA-N 1 0 256.341 2.616 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226366 778257751 /nfs/dbraw/zinc/25/77/51/778257751.db2.gz FXBWTAGSEHKMGB-NEPJUHHUSA-N 1 0 281.331 2.632 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1ccon1 ZINC001234636690 778271207 /nfs/dbraw/zinc/27/12/07/778271207.db2.gz UMSZCFXRWDBXTC-LBPRGKRZSA-N 1 0 261.345 2.815 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1C(=O)c1ccccc1 ZINC001234662616 778282191 /nfs/dbraw/zinc/28/21/91/778282191.db2.gz HEVNSNOYDAHSTM-CQSZACIVSA-N 1 0 299.394 2.786 20 5 CFBDRO COc1cc(OC)c(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234883856 778321128 /nfs/dbraw/zinc/32/11/28/778321128.db2.gz GWVUDXZOPRHYLH-JTQLQIEISA-N 1 0 288.795 2.831 20 5 CFBDRO COc1cc(OC)c(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001234940543 778333391 /nfs/dbraw/zinc/33/33/91/778333391.db2.gz AHMZEYQDTREUTG-JTQLQIEISA-N 1 0 288.795 2.831 20 5 CFBDRO CCCCOC[C@H](C)OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224621046 778603151 /nfs/dbraw/zinc/60/31/51/778603151.db2.gz JIAMVXSCDOEDJD-JKSUJKDBSA-N 1 0 290.468 2.710 20 5 CFBDRO C[C@@H](OCCC[N+](C)(C)C)c1cc(Br)no1 ZINC001224621007 778603442 /nfs/dbraw/zinc/60/34/42/778603442.db2.gz HOUVNADJRBWIPH-SECBINFHSA-N 1 0 292.197 2.611 20 5 CFBDRO NC(=[NH2+])c1nccn1-c1nc2ccccc2c2ccccc21 ZINC001168419579 778937052 /nfs/dbraw/zinc/93/70/52/778937052.db2.gz GQYUJSVQPPMSNL-UHFFFAOYSA-N 1 0 287.326 2.858 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698634682 778964893 /nfs/dbraw/zinc/96/48/93/778964893.db2.gz GVCDGFFZCVDFAZ-NOZJJQNGSA-N 1 0 288.294 2.570 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698634689 778965021 /nfs/dbraw/zinc/96/50/21/778965021.db2.gz GVCDGFFZCVDFAZ-ZANVPECISA-N 1 0 288.294 2.570 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764351 779084091 /nfs/dbraw/zinc/08/40/91/779084091.db2.gz CFNCHEYFANAJAZ-VIFPVBQESA-N 1 0 286.278 2.735 20 5 CFBDRO C[C@H](O)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000691315056 779867784 /nfs/dbraw/zinc/86/77/84/779867784.db2.gz RNGDGHXSCMWYOP-VIFPVBQESA-N 1 0 284.743 2.593 20 5 CFBDRO CCC1(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C[NH2+]C1 ZINC001168580388 779996965 /nfs/dbraw/zinc/99/69/65/779996965.db2.gz HWUOYPIAPNZSJM-UHFFFAOYSA-N 1 0 298.346 2.821 20 5 CFBDRO CCC1(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168584034 780005091 /nfs/dbraw/zinc/00/50/91/780005091.db2.gz XCJPFNMWYZTRGT-UHFFFAOYSA-N 1 0 289.257 2.778 20 5 CFBDRO CC(C)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O ZINC000691360456 780353220 /nfs/dbraw/zinc/35/32/20/780353220.db2.gz RYTBNCFBHXDWJE-SNVBAGLBSA-N 1 0 286.759 2.839 20 5 CFBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000702006568 780866628 /nfs/dbraw/zinc/86/66/28/780866628.db2.gz TXSNYKHIELJHJU-AAEUAGOBSA-N 1 0 266.366 2.887 20 5 CFBDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000702377513 780918550 /nfs/dbraw/zinc/91/85/50/780918550.db2.gz MQWWIDFHROISRU-HIFRSBDPSA-N 1 0 278.352 2.654 20 5 CFBDRO COC1CC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000703119638 780988798 /nfs/dbraw/zinc/98/87/98/780988798.db2.gz AYPQKVSMIFIREK-IFQILLTASA-N 1 0 264.325 2.670 20 5 CFBDRO COC1CC(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000703163718 780994348 /nfs/dbraw/zinc/99/43/48/780994348.db2.gz NOBMMQBJMZFBFF-LKSINWNRSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CCSC2)c1 ZINC000704797991 781118973 /nfs/dbraw/zinc/11/89/73/781118973.db2.gz OLPKRRLIBFAHLU-NSHDSACASA-N 1 0 266.366 2.828 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCSC1 ZINC000704813900 781120920 /nfs/dbraw/zinc/12/09/20/781120920.db2.gz IYKOMAQONPRMJT-NSHDSACASA-N 1 0 266.366 2.828 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000706954546 781218459 /nfs/dbraw/zinc/21/84/59/781218459.db2.gz ABZVEJDXVOPQKV-KGLIPLIRSA-N 1 0 276.336 2.551 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000706954547 781218693 /nfs/dbraw/zinc/21/86/93/781218693.db2.gz ABZVEJDXVOPQKV-UONOGXRCSA-N 1 0 276.336 2.551 20 5 CFBDRO CSC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000708263504 781268544 /nfs/dbraw/zinc/26/85/44/781268544.db2.gz WDOASTBMPUTZIX-UHFFFAOYSA-N 1 0 266.366 2.621 20 5 CFBDRO CSC1CC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000708258488 781268613 /nfs/dbraw/zinc/26/86/13/781268613.db2.gz PWPXHJSMDWTILF-UHFFFAOYSA-N 1 0 266.366 2.887 20 5 CFBDRO Cc1c(C[NH2+]CCc2ccns2)cccc1[N+](=O)[O-] ZINC000709824994 781319617 /nfs/dbraw/zinc/31/96/17/781319617.db2.gz KQEQAUNBEMQSRY-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC3(CCC3)O2)cs1 ZINC000711427497 781432502 /nfs/dbraw/zinc/43/25/02/781432502.db2.gz PNANJDOCKPSDBA-LLVKDONJSA-N 1 0 282.365 2.848 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1 ZINC000711463183 781441208 /nfs/dbraw/zinc/44/12/08/781441208.db2.gz MUQSKANBTFCGNC-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164067188 781660329 /nfs/dbraw/zinc/66/03/29/781660329.db2.gz CCZALNGTPIMSAI-PSASIEDQSA-N 1 0 298.774 2.515 20 5 CFBDRO COCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000594513313 349436485 /nfs/dbraw/zinc/43/64/85/349436485.db2.gz XICMJUKONOTJNL-HNNXBMFYSA-N 1 0 290.363 2.988 20 5 CFBDRO CC(=O)c1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594592859 349454566 /nfs/dbraw/zinc/45/45/66/349454566.db2.gz ZLLUKGMAMZQAIN-BJHJDKERSA-N 1 0 291.351 2.550 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CO1 ZINC000594937823 349519353 /nfs/dbraw/zinc/51/93/53/349519353.db2.gz JAPFPQLWIRBEOK-STQMWFEESA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000273060289 192033336 /nfs/dbraw/zinc/03/33/36/192033336.db2.gz YIRAGPOENKZYLC-LBPRGKRZSA-N 1 0 275.352 2.966 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594955898 349528496 /nfs/dbraw/zinc/52/84/96/349528496.db2.gz GXWXMRHWLAUIOH-NSHDSACASA-N 1 0 283.397 2.619 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594955895 349528526 /nfs/dbraw/zinc/52/85/26/349528526.db2.gz GXWXMRHWLAUIOH-LLVKDONJSA-N 1 0 283.397 2.619 20 5 CFBDRO COC1CC(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000594961062 349531422 /nfs/dbraw/zinc/53/14/22/349531422.db2.gz DSSQRZBCMVCVTI-UHFFFAOYSA-N 1 0 278.352 2.808 20 5 CFBDRO CC(C)(F)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594972302 349535831 /nfs/dbraw/zinc/53/58/31/349535831.db2.gz CKXUPPCMFSQECY-UHFFFAOYSA-N 1 0 298.314 2.594 20 5 CFBDRO CC(C)(C)OCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594974462 349536864 /nfs/dbraw/zinc/53/68/64/349536864.db2.gz LTMRGSUYPYUBBL-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594982984 349537686 /nfs/dbraw/zinc/53/76/86/349537686.db2.gz DHXSWLXMMUOJST-WCQYABFASA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)CC1CC1 ZINC000594982357 349537714 /nfs/dbraw/zinc/53/77/14/349537714.db2.gz CKHDWNYOMLMQRK-PKXJPQMGSA-N 1 0 290.363 2.606 20 5 CFBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000594985715 349538853 /nfs/dbraw/zinc/53/88/53/349538853.db2.gz NPVSFIXGYFNZCN-WCQYABFASA-N 1 0 264.325 2.642 20 5 CFBDRO COc1cc(C[NH2+]CC2=CCCC2)c([N+](=O)[O-])cc1OC ZINC000594991082 349541293 /nfs/dbraw/zinc/54/12/93/349541293.db2.gz ZIAZTDYSHFXYCJ-UHFFFAOYSA-N 1 0 292.335 2.812 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CCC(O)CC1 ZINC000594991511 349541384 /nfs/dbraw/zinc/54/13/84/349541384.db2.gz IOCWMKDFYHUBNU-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594985374 349538942 /nfs/dbraw/zinc/53/89/42/349538942.db2.gz LUZYUEYOSKHRFL-TZMCWYRMSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000594984560 349539216 /nfs/dbraw/zinc/53/92/16/349539216.db2.gz JELVYZFPZITFIP-SMDDNHRTSA-N 1 0 264.325 2.642 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000595011401 349548059 /nfs/dbraw/zinc/54/80/59/349548059.db2.gz HIUDPDBOSDYJFB-NSHDSACASA-N 1 0 289.335 2.793 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000595018102 349552215 /nfs/dbraw/zinc/55/22/15/349552215.db2.gz QBBRIQVDQIAPOK-VXGBXAGGSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(O)CCCC1 ZINC000595019044 349552378 /nfs/dbraw/zinc/55/23/78/349552378.db2.gz QHLCZQUWZALQTE-NSHDSACASA-N 1 0 294.351 2.559 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCF ZINC000595022350 349552952 /nfs/dbraw/zinc/55/29/52/349552952.db2.gz LLYHAAQYAWQDME-SECBINFHSA-N 1 0 256.277 2.614 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000595024478 349553784 /nfs/dbraw/zinc/55/37/84/349553784.db2.gz GHEOPQCHXGOIQB-WOPDTQHZSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000595024476 349554088 /nfs/dbraw/zinc/55/40/88/349554088.db2.gz GHEOPQCHXGOIQB-SDDRHHMPSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@@H](CSCCF)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000595029082 349556943 /nfs/dbraw/zinc/55/69/43/349556943.db2.gz VUHIQCKKPLXWEQ-NSHDSACASA-N 1 0 286.372 2.818 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCOC1(C)C ZINC000594997190 349543334 /nfs/dbraw/zinc/54/33/34/349543334.db2.gz ZCXJHAPHVYGKGI-CYBMUJFWSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005287 349545369 /nfs/dbraw/zinc/54/53/69/349545369.db2.gz BHNCHOPOVXXBEB-LBPRGKRZSA-N 1 0 295.383 2.596 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+](C)C(C)C ZINC000595042870 349561891 /nfs/dbraw/zinc/56/18/91/349561891.db2.gz SXKNHGXWJMCVGP-GFCCVEGCSA-N 1 0 295.383 2.594 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595046966 349562665 /nfs/dbraw/zinc/56/26/65/349562665.db2.gz OWFJPPBNOQNWEV-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000595045503 349562774 /nfs/dbraw/zinc/56/27/74/349562774.db2.gz MZRXCYYWYVUZEN-COPLHBTASA-N 1 0 294.351 2.679 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595050086 349564955 /nfs/dbraw/zinc/56/49/55/349564955.db2.gz FXXHVNCCUNUIIA-NWDGAFQWSA-N 1 0 296.367 2.927 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)COC1 ZINC000595052934 349566558 /nfs/dbraw/zinc/56/65/58/349566558.db2.gz TWHOXVXCOJKVCY-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO CCC[C@H]([NH2+]C/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595069845 349573090 /nfs/dbraw/zinc/57/30/90/349573090.db2.gz LMMZITCPTAAUON-NQHOJNORSA-N 1 0 264.325 2.574 20 5 CFBDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595069692 349573099 /nfs/dbraw/zinc/57/30/99/349573099.db2.gz QPBAPHLNDWZWLL-CABZTGNLSA-N 1 0 286.278 2.670 20 5 CFBDRO CC[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000067905798 346827176 /nfs/dbraw/zinc/82/71/76/346827176.db2.gz KJPFDRDCCXLEBI-UHFFFAOYSA-N 1 0 255.343 2.553 20 5 CFBDRO Cc1ccnc(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000096609683 185107911 /nfs/dbraw/zinc/10/79/11/185107911.db2.gz UGJATFUUROCCAP-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000595089822 349577524 /nfs/dbraw/zinc/57/75/24/349577524.db2.gz MRHXPZOHBMBLCF-LEWSCRJBSA-N 1 0 276.336 2.549 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC)cc1[N+](=O)[O-] ZINC000595108449 349583007 /nfs/dbraw/zinc/58/30/07/349583007.db2.gz PXLCGKDZEPLDKO-VQISRLSMSA-N 1 0 294.351 2.822 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCO[C@H]1CC1(F)F ZINC000595070577 349573769 /nfs/dbraw/zinc/57/37/69/349573769.db2.gz YECUJXWQGUDKQU-YPMHNXCESA-N 1 0 298.289 2.596 20 5 CFBDRO COC(=O)CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595320958 349601365 /nfs/dbraw/zinc/60/13/65/349601365.db2.gz UXLZKAJJWXLODD-UHFFFAOYSA-N 1 0 298.314 2.507 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595330166 349603170 /nfs/dbraw/zinc/60/31/70/349603170.db2.gz KAUFDZDKXSRYCL-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331213 349603435 /nfs/dbraw/zinc/60/34/35/349603435.db2.gz SJMWUFVLAHIREW-AWEZNQCLSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000068334742 346848426 /nfs/dbraw/zinc/84/84/26/346848426.db2.gz KYCPZCMEHFSDNP-LBPRGKRZSA-N 1 0 293.367 2.818 20 5 CFBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCCC1 ZINC000595290569 349591879 /nfs/dbraw/zinc/59/18/79/349591879.db2.gz MBKNWDAUZBCJPX-UHFFFAOYSA-N 1 0 253.302 2.656 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(CO)CCCCC1 ZINC000595389656 349614101 /nfs/dbraw/zinc/61/41/01/349614101.db2.gz JMGDUMSYSANUED-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO CC(C)=CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423131 349620572 /nfs/dbraw/zinc/62/05/72/349620572.db2.gz JLMHZOPDEAPBQN-UHFFFAOYSA-N 1 0 261.325 2.704 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183065841 529393505 /nfs/dbraw/zinc/39/35/05/529393505.db2.gz ZIHGJAWVTVSHIM-VXGBXAGGSA-N 1 0 293.367 2.948 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294972925 199277749 /nfs/dbraw/zinc/27/77/49/199277749.db2.gz JFTOKYOUWPMQAU-CQSZACIVSA-N 1 0 278.352 2.842 20 5 CFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442291 349627946 /nfs/dbraw/zinc/62/79/46/349627946.db2.gz REUTUEYTFWSZRT-WCBMZHEXSA-N 1 0 253.302 2.512 20 5 CFBDRO CO[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000595458058 349632907 /nfs/dbraw/zinc/63/29/07/349632907.db2.gz HVNHAIVTQGTOTI-YGRLFVJLSA-N 1 0 282.315 2.591 20 5 CFBDRO Cc1noc(CN2CCSC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595469163 349636596 /nfs/dbraw/zinc/63/65/96/349636596.db2.gz UVKDYDORONYBFE-UHFFFAOYSA-N 1 0 285.369 2.609 20 5 CFBDRO Cc1noc(C[N@@H+]2[C@@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000595521312 349649970 /nfs/dbraw/zinc/64/99/70/349649970.db2.gz APKAHDUHZZMBIA-QMMMGPOBSA-N 1 0 253.302 2.654 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595524286 349650813 /nfs/dbraw/zinc/65/08/13/349650813.db2.gz KTHCGMORCVEWIZ-PHIMTYICSA-N 1 0 265.313 2.513 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595597935 349669797 /nfs/dbraw/zinc/66/97/97/349669797.db2.gz CVUBRUWVMCPNIT-GFCCVEGCSA-N 1 0 293.367 2.678 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565079 349661447 /nfs/dbraw/zinc/66/14/47/349661447.db2.gz AMWLHVSABPBVKT-STQMWFEESA-N 1 0 276.336 2.848 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595566987 349662500 /nfs/dbraw/zinc/66/25/00/349662500.db2.gz PYWPVOSNPIYFLP-WFASDCNBSA-N 1 0 276.336 2.848 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670150 349694904 /nfs/dbraw/zinc/69/49/04/349694904.db2.gz AGDBEWCOWWZNSY-BBRMVZONSA-N 1 0 292.379 2.620 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000125945389 187205657 /nfs/dbraw/zinc/20/56/57/187205657.db2.gz FPXJTWVTZNTVTB-JTQLQIEISA-N 1 0 267.354 2.566 20 5 CFBDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000069831096 346901212 /nfs/dbraw/zinc/90/12/12/346901212.db2.gz VIEAZYIOKCIWOO-UHFFFAOYSA-N 1 0 299.330 2.843 20 5 CFBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595691116 349702374 /nfs/dbraw/zinc/70/23/74/349702374.db2.gz ZCVICZLWOHTNKF-GASCZTMLSA-N 1 0 294.326 2.592 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000595740995 349720741 /nfs/dbraw/zinc/72/07/41/349720741.db2.gz TWSKWJCLRFYSNF-AWEZNQCLSA-N 1 0 292.383 2.694 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595749099 349723083 /nfs/dbraw/zinc/72/30/83/349723083.db2.gz DLBUEBCLPSQMBM-WBMJQRKESA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595755862 349724901 /nfs/dbraw/zinc/72/49/01/349724901.db2.gz DWYJOWYQYNRDQF-LALPHHSUSA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595756944 349725021 /nfs/dbraw/zinc/72/50/21/349725021.db2.gz HUWJVQHHSYIPIT-ZLDLUXBVSA-N 1 0 276.336 2.624 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326822 346909962 /nfs/dbraw/zinc/90/99/62/346909962.db2.gz BURCFMUJMBNGJL-ZFWWWQNUSA-N 1 0 278.352 2.685 20 5 CFBDRO O=C1CCCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000595805119 349736040 /nfs/dbraw/zinc/73/60/40/349736040.db2.gz FFNRJOOOGMCECO-UHFFFAOYSA-N 1 0 288.347 2.930 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595830782 349744620 /nfs/dbraw/zinc/74/46/20/349744620.db2.gz LVMOYXGGCMCEKV-BFHYXJOUSA-N 1 0 290.363 2.933 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595766100 349727000 /nfs/dbraw/zinc/72/70/00/349727000.db2.gz RWOPOKVRPJJGNP-LBPRGKRZSA-N 1 0 264.325 2.752 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595780343 349731688 /nfs/dbraw/zinc/73/16/88/349731688.db2.gz IYALXHVJKSVLQZ-NEPJUHHUSA-N 1 0 294.351 2.603 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000595835692 349748060 /nfs/dbraw/zinc/74/80/60/349748060.db2.gz WCWPVUKZHRGUTO-GFCCVEGCSA-N 1 0 276.336 2.687 20 5 CFBDRO Cc1cc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596055920 349782925 /nfs/dbraw/zinc/78/29/25/349782925.db2.gz ZSILVPPGISTPCD-UHFFFAOYSA-N 1 0 283.397 2.743 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596094458 349793059 /nfs/dbraw/zinc/79/30/59/349793059.db2.gz RGOQYHLKMMHLFY-JTQLQIEISA-N 1 0 269.370 2.859 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCOCCF)cccc1[N+](=O)[O-] ZINC000596096692 349793770 /nfs/dbraw/zinc/79/37/70/349793770.db2.gz XFIDTFXNWZVCDJ-NSHDSACASA-N 1 0 270.304 2.540 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000596106067 349795647 /nfs/dbraw/zinc/79/56/47/349795647.db2.gz STPIABFDALOCLQ-LLVKDONJSA-N 1 0 281.381 2.639 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000072521866 346927095 /nfs/dbraw/zinc/92/70/95/346927095.db2.gz GWECKNRLQNVSET-AWEZNQCLSA-N 1 0 286.335 2.705 20 5 CFBDRO CN(C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000020122409 282247502 /nfs/dbraw/zinc/24/75/02/282247502.db2.gz SCDGZEADIPYBDK-CQSZACIVSA-N 1 0 289.335 2.580 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(C)(C)O ZINC000294993114 199288691 /nfs/dbraw/zinc/28/86/91/199288691.db2.gz HTXNCVKYYRTDSG-NSHDSACASA-N 1 0 296.367 2.633 20 5 CFBDRO CN1CCN(Cc2csc([N+](=O)[O-])c2)c2cccnc21 ZINC000331954363 136383086 /nfs/dbraw/zinc/38/30/86/136383086.db2.gz IRMOCCXXTKEEBX-UHFFFAOYSA-N 1 0 290.348 2.508 20 5 CFBDRO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])s1 ZINC000596244889 349838849 /nfs/dbraw/zinc/83/88/49/349838849.db2.gz VJDMLWCIRQFWGJ-CQSZACIVSA-N 1 0 295.408 2.887 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128025276 187346636 /nfs/dbraw/zinc/34/66/36/187346636.db2.gz VLWGKEZBCGNAJK-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596307746 349858989 /nfs/dbraw/zinc/85/89/89/349858989.db2.gz ONUHOZVJBBVKAG-LLVKDONJSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000596309279 349859015 /nfs/dbraw/zinc/85/90/15/349859015.db2.gz XLZACNJDTHCMLZ-NSHDSACASA-N 1 0 263.341 2.880 20 5 CFBDRO CCC[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000074258626 347005664 /nfs/dbraw/zinc/00/56/64/347005664.db2.gz OCRVWHVHWOMFHR-UHFFFAOYSA-N 1 0 263.341 2.517 20 5 CFBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478466 349913858 /nfs/dbraw/zinc/91/38/58/349913858.db2.gz NLCCEEBKOLVSTI-GFCCVEGCSA-N 1 0 290.367 2.809 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000413442285 530061030 /nfs/dbraw/zinc/06/10/30/530061030.db2.gz QIDCOAVINWTZTG-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596518499 349928223 /nfs/dbraw/zinc/92/82/23/349928223.db2.gz VDVKCEBCQNROBA-SNVBAGLBSA-N 1 0 269.370 2.861 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000596544106 349937285 /nfs/dbraw/zinc/93/72/85/349937285.db2.gz YBWRDQUWWHRUIG-UHFFFAOYSA-N 1 0 280.372 2.831 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000163410168 232258089 /nfs/dbraw/zinc/25/80/89/232258089.db2.gz QFYHGKFRTRSXNH-HUBLWGQQSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000027136024 346267653 /nfs/dbraw/zinc/26/76/53/346267653.db2.gz HKOJCERIIOSQAR-JTQLQIEISA-N 1 0 293.367 2.560 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000030269537 346287611 /nfs/dbraw/zinc/28/76/11/346287611.db2.gz SNBDDMUAQCOWEH-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000037649788 346332219 /nfs/dbraw/zinc/33/22/19/346332219.db2.gz CSQYUCCYJIUAIR-GFCCVEGCSA-N 1 0 275.352 2.799 20 5 CFBDRO CO[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075712942 347093664 /nfs/dbraw/zinc/09/36/64/347093664.db2.gz QOJMBJPWZPJDLM-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO C[NH+](C)CCOc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000596638487 349964331 /nfs/dbraw/zinc/96/43/31/349964331.db2.gz WKAGCOSYTOCEKG-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196061 346604276 /nfs/dbraw/zinc/60/42/76/346604276.db2.gz OUUYQXWKIKPTQJ-VXGBXAGGSA-N 1 0 293.367 2.550 20 5 CFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000058610986 346647161 /nfs/dbraw/zinc/64/71/61/346647161.db2.gz LUHMAPRXROLUQR-CYBMUJFWSA-N 1 0 278.356 2.522 20 5 CFBDRO CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000061757771 346682375 /nfs/dbraw/zinc/68/23/75/346682375.db2.gz RPAKOUQYIXCWDJ-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000128448701 187371335 /nfs/dbraw/zinc/37/13/35/187371335.db2.gz GYQHGKKATUSYTQ-ONGXEEELSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000128448243 187371405 /nfs/dbraw/zinc/37/14/05/187371405.db2.gz GYQHGKKATUSYTQ-GXSJLCMTSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3C=CCCC3)CC2)c1 ZINC000066494539 346764531 /nfs/dbraw/zinc/76/45/31/346764531.db2.gz WOZUVTKSQHRFTN-AWEZNQCLSA-N 1 0 287.363 2.826 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000066796377 346779779 /nfs/dbraw/zinc/77/97/79/346779779.db2.gz YJAQEAFOJCKHJN-AWEZNQCLSA-N 1 0 286.335 2.705 20 5 CFBDRO CCO[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076407110 347137991 /nfs/dbraw/zinc/13/79/91/347137991.db2.gz HYBCNKNLKZAXHP-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077456273 347193176 /nfs/dbraw/zinc/19/31/76/347193176.db2.gz IGGIGJUUXBQGJE-OAHLLOKOSA-N 1 0 280.368 2.872 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000128456579 187372206 /nfs/dbraw/zinc/37/22/06/187372206.db2.gz CUULYMQIIRZWIM-GDBMZVCRSA-N 1 0 290.363 2.722 20 5 CFBDRO Cc1cc(N2CCC[N@@H+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080531118 347364512 /nfs/dbraw/zinc/36/45/12/347364512.db2.gz FWLIJQBBOSLKFK-UHFFFAOYSA-N 1 0 283.759 2.699 20 5 CFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000083172519 347449278 /nfs/dbraw/zinc/44/92/78/347449278.db2.gz RDUDXQXGTGCLDQ-UHFFFAOYSA-N 1 0 275.308 2.968 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000089580663 347521909 /nfs/dbraw/zinc/52/19/09/347521909.db2.gz QKDJCFOGJHUVEN-NSHDSACASA-N 1 0 264.325 2.752 20 5 CFBDRO CCC[NH+]1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000090786687 347557463 /nfs/dbraw/zinc/55/74/63/347557463.db2.gz SKBSZACSPZHFPA-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO CCCC[C@H](COC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910008 347561343 /nfs/dbraw/zinc/56/13/43/347561343.db2.gz ZONCBDPACFDCEW-CQSZACIVSA-N 1 0 280.368 2.932 20 5 CFBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092581643 347633214 /nfs/dbraw/zinc/63/32/14/347633214.db2.gz GOMPACRGIZRKFM-UHFFFAOYSA-N 1 0 289.282 2.560 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000092585052 347633789 /nfs/dbraw/zinc/63/37/89/347633789.db2.gz NSTQEQPCHXCIFH-AWEZNQCLSA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092649039 347636796 /nfs/dbraw/zinc/63/67/96/347636796.db2.gz PUDPSHAERIDNBK-UHFFFAOYSA-N 1 0 288.351 2.943 20 5 CFBDRO O[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1O ZINC000093483703 347677465 /nfs/dbraw/zinc/67/74/65/347677465.db2.gz YDROAGUKWXWCFW-KDURUIRLSA-N 1 0 293.366 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000111128405 347752231 /nfs/dbraw/zinc/75/22/31/347752231.db2.gz GZXGXNPVWJCNQR-NSHDSACASA-N 1 0 272.304 2.736 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122239942 347815632 /nfs/dbraw/zinc/81/56/32/347815632.db2.gz XZHBMOJSXWEGBR-NSHDSACASA-N 1 0 266.341 2.979 20 5 CFBDRO Cc1cc(OCCC2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000134495595 347898895 /nfs/dbraw/zinc/89/88/95/347898895.db2.gz IWJBWFUFPOIYEA-UHFFFAOYSA-N 1 0 282.315 2.811 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000152857953 347971015 /nfs/dbraw/zinc/97/10/15/347971015.db2.gz QSVXOCVYGZQQEF-STQMWFEESA-N 1 0 276.336 2.706 20 5 CFBDRO CSCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000154823552 347983799 /nfs/dbraw/zinc/98/37/99/347983799.db2.gz IEHQJTUKPMXVKD-LLVKDONJSA-N 1 0 268.382 2.869 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000157379363 348000693 /nfs/dbraw/zinc/00/06/93/348000693.db2.gz REJICFMRXPEBRZ-UHFFFAOYSA-N 1 0 292.379 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157665025 348001188 /nfs/dbraw/zinc/00/11/88/348001188.db2.gz DOTNWBPIQPVDSF-WDEREUQCSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@](CO)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000169248477 348050910 /nfs/dbraw/zinc/05/09/10/348050910.db2.gz ZHKNOONJEHVKSK-MRXNPFEDSA-N 1 0 286.331 2.592 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128755711 187388229 /nfs/dbraw/zinc/38/82/29/187388229.db2.gz CJIOEXAPRNPGKJ-JTQLQIEISA-N 1 0 295.314 2.547 20 5 CFBDRO Cc1c(C[NH2+]Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000228411041 348195330 /nfs/dbraw/zinc/19/53/30/348195330.db2.gz ABLUDUFLLCIEDQ-UHFFFAOYSA-N 1 0 272.304 2.899 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252417295 348296003 /nfs/dbraw/zinc/29/60/03/348296003.db2.gz QXCZAUBYTDIWJD-CHWSQXEVSA-N 1 0 295.408 2.620 20 5 CFBDRO CCC[C@H]([NH2+]Cc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000289886112 348350563 /nfs/dbraw/zinc/35/05/63/348350563.db2.gz SGSQYHFKINVKBC-HNNXBMFYSA-N 1 0 288.351 2.959 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000305113917 348380939 /nfs/dbraw/zinc/38/09/39/348380939.db2.gz HDSXCQDHXFWDPU-LBPRGKRZSA-N 1 0 278.352 2.859 20 5 CFBDRO CCOCC(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000293168747 348361664 /nfs/dbraw/zinc/36/16/64/348361664.db2.gz GGRRVPJROGJYTQ-UHFFFAOYSA-N 1 0 296.367 2.768 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000311215734 348412130 /nfs/dbraw/zinc/41/21/30/348412130.db2.gz MYFJHIWGKHHTHT-JQWIXIFHSA-N 1 0 266.366 2.887 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273373910 192130791 /nfs/dbraw/zinc/13/07/91/192130791.db2.gz GGIRCQHTQZRGJC-CVEARBPZSA-N 1 0 290.363 2.950 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000314395277 348425260 /nfs/dbraw/zinc/42/52/60/348425260.db2.gz CYUMIFCMKWNUNG-VXGBXAGGSA-N 1 0 293.367 2.806 20 5 CFBDRO Cc1nccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273425244 192146352 /nfs/dbraw/zinc/14/63/52/192146352.db2.gz KCPMEYKKHOZQCH-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000402019409 348580099 /nfs/dbraw/zinc/58/00/99/348580099.db2.gz DRYCGSNUFYBVEI-WPRPVWTQSA-N 1 0 270.716 2.515 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000400595071 348574098 /nfs/dbraw/zinc/57/40/98/348574098.db2.gz ZLXSJQKQDHXKQA-AWEZNQCLSA-N 1 0 278.352 2.544 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCC(C)C)c1 ZINC000589494953 348835733 /nfs/dbraw/zinc/83/57/33/348835733.db2.gz CNGBGUVWKYGOCZ-UHFFFAOYSA-N 1 0 294.351 2.859 20 5 CFBDRO C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000589877332 348862668 /nfs/dbraw/zinc/86/26/68/348862668.db2.gz VLESAJJACGYTLR-NSHDSACASA-N 1 0 295.408 2.967 20 5 CFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590568759 348909845 /nfs/dbraw/zinc/90/98/45/348909845.db2.gz KOBKEUNHCIZJLS-KOLCDFICSA-N 1 0 283.759 2.777 20 5 CFBDRO O=C1C[C@H]2CC[C@@H](C1)N2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590967169 348973610 /nfs/dbraw/zinc/97/36/10/348973610.db2.gz AZMMSYDGEVGJGV-DRYSKOCLSA-N 1 0 286.331 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1 ZINC000590970343 348974531 /nfs/dbraw/zinc/97/45/31/348974531.db2.gz VKEXZMKSAUZUPT-LSDHHAIUSA-N 1 0 288.347 2.596 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000591442905 349022761 /nfs/dbraw/zinc/02/27/61/349022761.db2.gz MIYDCUIYHBVEDB-AWEZNQCLSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1c([C@H](C)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591577821 349030894 /nfs/dbraw/zinc/03/08/94/349030894.db2.gz IDCJFSIDNZGNNA-STQMWFEESA-N 1 0 277.368 2.696 20 5 CFBDRO CCC[C@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577210 349031078 /nfs/dbraw/zinc/03/10/78/349031078.db2.gz BIDCEDXMSHJGAH-HNNXBMFYSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@@H]([NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591581364 349032661 /nfs/dbraw/zinc/03/26/61/349032661.db2.gz ROOIBKMRYNCHEJ-MLGOLLRUSA-N 1 0 285.347 2.621 20 5 CFBDRO C[N@H+](CCC[C@@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000592059059 349077436 /nfs/dbraw/zinc/07/74/36/349077436.db2.gz MOEJBPUEVLNWGY-CYBMUJFWSA-N 1 0 278.352 2.843 20 5 CFBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182438 349095828 /nfs/dbraw/zinc/09/58/28/349095828.db2.gz AESZUROGLBBNMQ-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000592378785 349112852 /nfs/dbraw/zinc/11/28/52/349112852.db2.gz DHAYKOISNDNLRB-CKYFFXLPSA-N 1 0 292.335 2.587 20 5 CFBDRO CC(C)[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485257 349127169 /nfs/dbraw/zinc/12/71/69/349127169.db2.gz UNLLEEZSSBOESO-TZMCWYRMSA-N 1 0 277.368 2.586 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593114485 349212013 /nfs/dbraw/zinc/21/20/13/349212013.db2.gz CSEGJGJUJZDLKT-ZDUSSCGKSA-N 1 0 298.289 2.705 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593114407 349212340 /nfs/dbraw/zinc/21/23/40/349212340.db2.gz ALCPYHBSAPQDOO-GFCCVEGCSA-N 1 0 268.263 2.826 20 5 CFBDRO C[C@@H](CO)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000593082478 349203958 /nfs/dbraw/zinc/20/39/58/349203958.db2.gz HMHUPXUJTMQHDX-QWHCGFSZSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593091315 349206746 /nfs/dbraw/zinc/20/67/46/349206746.db2.gz FVPOBKVZTWCWOU-ZDUSSCGKSA-N 1 0 290.363 2.781 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000593518453 349288733 /nfs/dbraw/zinc/28/87/33/349288733.db2.gz ZVQZDELYNXDOEM-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO C[NH2+]Cc1ccccc1CNCc1csc([N+](=O)[O-])c1 ZINC000593319767 349246359 /nfs/dbraw/zinc/24/63/59/349246359.db2.gz XSRLVUIUDJQSMO-UHFFFAOYSA-N 1 0 291.376 2.666 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)CCO ZINC000593693818 349310305 /nfs/dbraw/zinc/31/03/05/349310305.db2.gz FHIACMHWICFYNY-CNELAYHGSA-N 1 0 278.352 2.701 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593689706 349310621 /nfs/dbraw/zinc/31/06/21/349310621.db2.gz PZBOPINWXQADRD-GFCCVEGCSA-N 1 0 284.331 2.528 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1(C)C ZINC000594496749 349430920 /nfs/dbraw/zinc/43/09/20/349430920.db2.gz UCQQOGFOULMSJV-NWANDNLSSA-N 1 0 290.363 2.985 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502167 349433060 /nfs/dbraw/zinc/43/30/60/349433060.db2.gz YRDZTPPYLWNBPW-WDMOLILDSA-N 1 0 276.336 2.739 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1(CO)CCC1 ZINC000597256616 350073863 /nfs/dbraw/zinc/07/38/63/350073863.db2.gz WLVNDXMXLUOZAK-LCYFTJDESA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414563598 233294536 /nfs/dbraw/zinc/29/45/36/233294536.db2.gz DAKQIUUBJWMRAM-JSGCOSHPSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271308768 191065472 /nfs/dbraw/zinc/06/54/72/191065472.db2.gz WGEJPTUVQYUJOQ-UUSSSYRCSA-N 1 0 276.336 2.765 20 5 CFBDRO C[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956116 350348880 /nfs/dbraw/zinc/34/88/80/350348880.db2.gz XKWKHUGSNSHZQK-CYBMUJFWSA-N 1 0 277.368 2.557 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000598985536 350354149 /nfs/dbraw/zinc/35/41/49/350354149.db2.gz RNIUVBBHRLFMSS-LBPRGKRZSA-N 1 0 264.325 2.501 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OCC ZINC000598989643 350354715 /nfs/dbraw/zinc/35/47/15/350354715.db2.gz PCCOEGGRKDSBLH-ZDUSSCGKSA-N 1 0 266.341 2.890 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OCC ZINC000598989642 350354948 /nfs/dbraw/zinc/35/49/48/350354948.db2.gz PCCOEGGRKDSBLH-CYBMUJFWSA-N 1 0 266.341 2.890 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC=CC2)n1 ZINC000599063524 350368242 /nfs/dbraw/zinc/36/82/42/350368242.db2.gz CQINXVXAQHKKSO-UONOGXRCSA-N 1 0 290.367 2.831 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599001146 350357394 /nfs/dbraw/zinc/35/73/94/350357394.db2.gz XYLIBYCJOOQALC-OAHLLOKOSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000599000849 350357512 /nfs/dbraw/zinc/35/75/12/350357512.db2.gz XRVYHYKMVXXGTQ-SREGZZRCSA-N 1 0 270.354 2.558 20 5 CFBDRO COCCCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599033949 350362035 /nfs/dbraw/zinc/36/20/35/350362035.db2.gz OTOCDZJSDZYYEG-UHFFFAOYSA-N 1 0 275.308 2.616 20 5 CFBDRO CN(C[C@H]1CCCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038787 350363177 /nfs/dbraw/zinc/36/31/77/350363177.db2.gz SJBIWXDDGBFGKB-GFCCVEGCSA-N 1 0 287.319 2.758 20 5 CFBDRO C[C@H](O)C[C@H](C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599046752 350364867 /nfs/dbraw/zinc/36/48/67/350364867.db2.gz MKGSYVYCHSSXCU-QWRGUYRKSA-N 1 0 289.335 2.962 20 5 CFBDRO C/C=C\CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078737 350371904 /nfs/dbraw/zinc/37/19/04/350371904.db2.gz DTJNBIQNILXYFG-VQTKUKTRSA-N 1 0 286.335 2.583 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599097056 350375342 /nfs/dbraw/zinc/37/53/42/350375342.db2.gz DSZDRRNAYLDELQ-UHFFFAOYSA-N 1 0 286.763 2.833 20 5 CFBDRO Cc1cnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599163583 350387584 /nfs/dbraw/zinc/38/75/84/350387584.db2.gz DXVRFXNMYSCQNF-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO CC1(C)CC(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000599397229 350431013 /nfs/dbraw/zinc/43/10/13/350431013.db2.gz XKXQXZHNIKLBCJ-UHFFFAOYSA-N 1 0 292.383 2.864 20 5 CFBDRO Cc1noc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599514854 350449340 /nfs/dbraw/zinc/44/93/40/350449340.db2.gz LWFMTWOTPLYHAK-OCAPTIKFSA-N 1 0 289.282 2.614 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](CCF)C1 ZINC000599641610 350471073 /nfs/dbraw/zinc/47/10/73/350471073.db2.gz JFGKUSFVQQPTAU-NEPJUHHUSA-N 1 0 282.315 2.716 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415493171 233493992 /nfs/dbraw/zinc/49/39/92/233493992.db2.gz CTXNZGFUPDTAJR-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000092427756 180383720 /nfs/dbraw/zinc/38/37/20/180383720.db2.gz XMZKDECOLMYXBB-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000108324442 186211212 /nfs/dbraw/zinc/21/12/12/186211212.db2.gz VSVAOIHKQOBUES-TYNCELHUSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000600790606 350612695 /nfs/dbraw/zinc/61/26/95/350612695.db2.gz SSFKBCCVOCYFLI-UHFFFAOYSA-N 1 0 290.298 2.522 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601120220 350673922 /nfs/dbraw/zinc/67/39/22/350673922.db2.gz HSQYBUZTAFLARR-LLVKDONJSA-N 1 0 283.397 2.824 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000601229653 350704005 /nfs/dbraw/zinc/70/40/05/350704005.db2.gz WRVRKZFMHCWQLF-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601128867 350676495 /nfs/dbraw/zinc/67/64/95/350676495.db2.gz FODYKUJZAHITCN-LLVKDONJSA-N 1 0 296.346 2.519 20 5 CFBDRO CCC[C@H](CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000601140289 350680849 /nfs/dbraw/zinc/68/08/49/350680849.db2.gz SXQKVONXFZSORS-BMWLXYDHSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149331 350682236 /nfs/dbraw/zinc/68/22/36/350682236.db2.gz LILNLLZAZBDEFB-OAHLLOKOSA-N 1 0 280.368 2.828 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601289111 350717618 /nfs/dbraw/zinc/71/76/18/350717618.db2.gz IDVSZGMEFZFZNV-FZMZJTMJSA-N 1 0 278.352 2.723 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](O)C(F)F ZINC000601298721 350719077 /nfs/dbraw/zinc/71/90/77/350719077.db2.gz JKPUWVGZBCIPHU-SKDRFNHKSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000601300832 350719163 /nfs/dbraw/zinc/71/91/63/350719163.db2.gz JVTIHFYKWIYSNN-RNSXUZJQSA-N 1 0 292.257 2.557 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](O)C(F)F ZINC000601298718 350719231 /nfs/dbraw/zinc/71/92/31/350719231.db2.gz JKPUWVGZBCIPHU-BXKDBHETSA-N 1 0 288.294 2.570 20 5 CFBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602485007 350902415 /nfs/dbraw/zinc/90/24/15/350902415.db2.gz LZUQQIAAPYBTFA-YPMHNXCESA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503342 350907499 /nfs/dbraw/zinc/90/74/99/350907499.db2.gz MQDBBFRHBVVGMU-LBPRGKRZSA-N 1 0 292.383 2.737 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000602543645 350919154 /nfs/dbraw/zinc/91/91/54/350919154.db2.gz FCQSEZKGOIGCER-OAHLLOKOSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000602557899 350923547 /nfs/dbraw/zinc/92/35/47/350923547.db2.gz MGSCRWSRXSMBAY-ONGXEEELSA-N 1 0 270.279 2.771 20 5 CFBDRO CO[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000602561871 350924874 /nfs/dbraw/zinc/92/48/74/350924874.db2.gz QDJWBDLGHVLWMA-CQSZACIVSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602580462 350932880 /nfs/dbraw/zinc/93/28/80/350932880.db2.gz NCDBLWKQQKDUOW-WFASDCNBSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@H]([NH2+]C1CC(n2cccn2)C1)c1ccccc1[N+](=O)[O-] ZINC000602582100 350933799 /nfs/dbraw/zinc/93/37/99/350933799.db2.gz KYVNOHNXZVCKHX-HIFPTAJRSA-N 1 0 286.335 2.846 20 5 CFBDRO CC[C@@H](CSC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602583329 350934384 /nfs/dbraw/zinc/93/43/84/350934384.db2.gz PXGYPHRGMGNNQA-VIFPVBQESA-N 1 0 295.364 2.967 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])n1 ZINC000602440123 350883524 /nfs/dbraw/zinc/88/35/24/350883524.db2.gz ODTXWNDHODUWGY-CQSZACIVSA-N 1 0 292.383 2.873 20 5 CFBDRO CCC1CCC([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602441522 350884523 /nfs/dbraw/zinc/88/45/23/350884523.db2.gz ODYRZERFBVSCFA-UHFFFAOYSA-N 1 0 280.372 2.729 20 5 CFBDRO Cn1cc(C[N@H+](CC2CC2)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000602457971 350890406 /nfs/dbraw/zinc/89/04/06/350890406.db2.gz KOICWRZVVQSCIS-UHFFFAOYSA-N 1 0 292.383 2.873 20 5 CFBDRO CCCN1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602656534 350963533 /nfs/dbraw/zinc/96/35/33/350963533.db2.gz VHGUDKPGQMKBTP-INIZCTEOSA-N 1 0 291.395 2.601 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602674981 350973031 /nfs/dbraw/zinc/97/30/31/350973031.db2.gz JBWVXWJVKGYOLS-AWEZNQCLSA-N 1 0 293.323 2.641 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000602690812 350981664 /nfs/dbraw/zinc/98/16/64/350981664.db2.gz PILKCDYUYWGLOU-DYEKYZERSA-N 1 0 278.352 2.540 20 5 CFBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602694639 350982872 /nfs/dbraw/zinc/98/28/72/350982872.db2.gz ADSNMXQLCBFSSW-OCCSQVGLSA-N 1 0 280.368 2.524 20 5 CFBDRO C/C=C\C[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602731824 351004821 /nfs/dbraw/zinc/00/48/21/351004821.db2.gz YECSDFDSYGTCLA-MVZIDQBPSA-N 1 0 278.356 2.507 20 5 CFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(F)F ZINC000602638002 350956622 /nfs/dbraw/zinc/95/66/22/350956622.db2.gz QCYOCUCHLPQPGI-APPZFPTMSA-N 1 0 296.277 2.604 20 5 CFBDRO C[C@@H]1OCC[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602783703 351023871 /nfs/dbraw/zinc/02/38/71/351023871.db2.gz KTVPWFBFBLXUND-GXTWGEPZSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@H]1OCC[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602796984 351029186 /nfs/dbraw/zinc/02/91/86/351029186.db2.gz LFXPEYNVNIIUPC-CHWSQXEVSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000602797575 351029539 /nfs/dbraw/zinc/02/95/39/351029539.db2.gz KCQCGIVRCMWFAN-LBPRGKRZSA-N 1 0 292.383 2.612 20 5 CFBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000602812653 351035158 /nfs/dbraw/zinc/03/51/58/351035158.db2.gz BJSKQUVYZPYXFP-YPMHNXCESA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000602838038 351040801 /nfs/dbraw/zinc/04/08/01/351040801.db2.gz RRHXCZJMGRWMIM-SGMGOOAPSA-N 1 0 294.399 2.904 20 5 CFBDRO CC[C@@]1(O)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602741849 351011305 /nfs/dbraw/zinc/01/13/05/351011305.db2.gz WJACGAAHNSGADI-CDVVCGDMSA-N 1 0 290.363 2.845 20 5 CFBDRO CC/C=C/CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962667 351073339 /nfs/dbraw/zinc/07/33/39/351073339.db2.gz NMMAWUUNOBVZDH-MBVDDHJVSA-N 1 0 278.352 2.748 20 5 CFBDRO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000602982207 351083300 /nfs/dbraw/zinc/08/33/00/351083300.db2.gz OYFQNFDCSJPVJW-SWLSCSKDSA-N 1 0 278.352 2.893 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(F)CC1 ZINC000602993273 351087625 /nfs/dbraw/zinc/08/76/25/351087625.db2.gz WGHXZJHJJXIUIZ-UHFFFAOYSA-N 1 0 282.315 2.927 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC(C)C ZINC000603425194 351161792 /nfs/dbraw/zinc/16/17/92/351161792.db2.gz RQJVACFKJSDWON-XETPBLJFSA-N 1 0 292.379 2.995 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000603428836 351163135 /nfs/dbraw/zinc/16/31/35/351163135.db2.gz SBRPYAAIWUMWIJ-IINYFYTJSA-N 1 0 278.352 2.942 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000603433645 351164176 /nfs/dbraw/zinc/16/41/76/351164176.db2.gz UXRBVYYPIONIRN-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000603661534 351177485 /nfs/dbraw/zinc/17/74/85/351177485.db2.gz ADORJVGKMILDHD-CHWSQXEVSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000603857951 351187180 /nfs/dbraw/zinc/18/71/80/351187180.db2.gz QLHVCHSHSLHVSN-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000604409262 351211442 /nfs/dbraw/zinc/21/14/42/351211442.db2.gz LMRKVVRWFGRYGW-VIFPVBQESA-N 1 0 267.354 2.553 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000604409244 351211638 /nfs/dbraw/zinc/21/16/38/351211638.db2.gz IIETXWHBKJCUQV-NXEZZACHSA-N 1 0 267.354 2.695 20 5 CFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](CC2CC2)CC1 ZINC000604433457 351212409 /nfs/dbraw/zinc/21/24/09/351212409.db2.gz FHWORZVMCFFLKF-UHFFFAOYSA-N 1 0 281.381 2.943 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609350606 351497279 /nfs/dbraw/zinc/49/72/79/351497279.db2.gz CDZGDGAMCKGELB-LLVKDONJSA-N 1 0 281.381 2.721 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609385953 351500236 /nfs/dbraw/zinc/50/02/36/351500236.db2.gz IGMCDDBXOYVZCT-HNNXBMFYSA-N 1 0 291.395 2.600 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157642 351489522 /nfs/dbraw/zinc/48/95/22/351489522.db2.gz MDLGODUZOGEURT-OAHLLOKOSA-N 1 0 286.335 2.628 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157292 351489815 /nfs/dbraw/zinc/48/98/15/351489815.db2.gz BGTVGNLOCMJZRB-CQSZACIVSA-N 1 0 286.335 2.628 20 5 CFBDRO COc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610275201 351546694 /nfs/dbraw/zinc/54/66/94/351546694.db2.gz VMAXLSPHZMGJAX-GFCCVEGCSA-N 1 0 293.367 2.570 20 5 CFBDRO CC(C)[NH+](CCCNc1cccnc1[N+](=O)[O-])C(C)C ZINC000610431103 351566045 /nfs/dbraw/zinc/56/60/45/351566045.db2.gz WHGVQVOSXWDTSR-UHFFFAOYSA-N 1 0 280.372 2.911 20 5 CFBDRO O=C(CC[NH+]1C2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000610504311 351573173 /nfs/dbraw/zinc/57/31/73/351573173.db2.gz PYUPGXBCUGIIHJ-UHFFFAOYSA-N 1 0 289.335 2.550 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])s1 ZINC000610514787 351575294 /nfs/dbraw/zinc/57/52/94/351575294.db2.gz OXFCMYDJVDTJIP-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000610664848 351590032 /nfs/dbraw/zinc/59/00/32/351590032.db2.gz AVWJCGBECLVGPE-NTZNESFSSA-N 1 0 280.372 2.514 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000610762797 351605261 /nfs/dbraw/zinc/60/52/61/351605261.db2.gz WXXRSLIFLIRATH-RYUDHWBXSA-N 1 0 262.309 2.588 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000611146410 351645201 /nfs/dbraw/zinc/64/52/01/351645201.db2.gz MNQGEPQMEHJOIH-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000611168385 351646569 /nfs/dbraw/zinc/64/65/69/351646569.db2.gz JTBQVDRWKDWYRG-IKKNBEIESA-N 1 0 288.347 2.765 20 5 CFBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000611203030 351651504 /nfs/dbraw/zinc/65/15/04/351651504.db2.gz RDXZZEHPVHGMCE-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](C1CC1)[NH+](C)C ZINC000120608338 186911928 /nfs/dbraw/zinc/91/19/28/186911928.db2.gz ZDCGZFKCADFZRV-CYBMUJFWSA-N 1 0 263.341 2.655 20 5 CFBDRO C[C@H]1COCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611272348 351662516 /nfs/dbraw/zinc/66/25/16/351662516.db2.gz AXWTVVAZSSIVHA-IRBQFCFKSA-N 1 0 276.336 2.719 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCOC2)C2CC2)c1 ZINC000610864865 351617477 /nfs/dbraw/zinc/61/74/77/351617477.db2.gz LQUYBUTXFFRJAI-AWEZNQCLSA-N 1 0 290.363 2.986 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000610959387 351625166 /nfs/dbraw/zinc/62/51/66/351625166.db2.gz UGCXZQQMABJPMD-CHWSQXEVSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000611411732 351685118 /nfs/dbraw/zinc/68/51/18/351685118.db2.gz XDLCUYURCYLYHM-VIFPVBQESA-N 1 0 267.354 2.553 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3sccc3[N+](=O)[O-])CC[C@H]21 ZINC000611413826 351686846 /nfs/dbraw/zinc/68/68/46/351686846.db2.gz YUAMOWHCUTVART-WDEREUQCSA-N 1 0 281.381 2.577 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000611470262 351693841 /nfs/dbraw/zinc/69/38/41/351693841.db2.gz UCLIZGRSUYVTOH-MNOVXSKESA-N 1 0 296.367 2.804 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cocn1)C1CC1 ZINC000611474385 351695092 /nfs/dbraw/zinc/69/50/92/351695092.db2.gz SACKBKLIOLUQHY-AWEZNQCLSA-N 1 0 287.319 2.694 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC000120862570 186931786 /nfs/dbraw/zinc/93/17/86/186931786.db2.gz QYTKREMYGBMZHV-CQSZACIVSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501457 351698248 /nfs/dbraw/zinc/69/82/48/351698248.db2.gz CCPGITXMDUEHII-RISCZKNCSA-N 1 0 266.316 2.817 20 5 CFBDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000611519598 351703449 /nfs/dbraw/zinc/70/34/49/351703449.db2.gz UFXXXTTXCONGFM-JTQLQIEISA-N 1 0 274.324 2.520 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC1CC1 ZINC000611337499 351670003 /nfs/dbraw/zinc/67/00/03/351670003.db2.gz UXNCZWIOZYQWSP-AAEUAGOBSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000611337481 351670114 /nfs/dbraw/zinc/67/01/14/351670114.db2.gz PPCXQEIGRKHYCZ-WCQYABFASA-N 1 0 278.352 2.715 20 5 CFBDRO CC(C)(CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611336985 351670178 /nfs/dbraw/zinc/67/01/78/351670178.db2.gz YZVAGOMCCORRGF-AWEZNQCLSA-N 1 0 292.379 2.524 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000611336930 351670220 /nfs/dbraw/zinc/67/02/20/351670220.db2.gz ODAIIQQHTCRUGR-NSHDSACASA-N 1 0 266.341 2.572 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000271445305 191140990 /nfs/dbraw/zinc/14/09/90/191140990.db2.gz YBPHWFIIWISYEU-OCCSQVGLSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH2+]C(C)C)C2)n1 ZINC000611616177 351714453 /nfs/dbraw/zinc/71/44/53/351714453.db2.gz RZDDMONRISLLJN-ZDUSSCGKSA-N 1 0 292.383 2.573 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000611617351 351715737 /nfs/dbraw/zinc/71/57/37/351715737.db2.gz YUQBYJDTCUGTEK-VXGBXAGGSA-N 1 0 290.367 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(Cl)c1 ZINC000612185691 351786393 /nfs/dbraw/zinc/78/63/93/351786393.db2.gz APNHFEQFHRJNCI-KLPPZKSPSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CC(C)(C)C ZINC000612577470 351838150 /nfs/dbraw/zinc/83/81/50/351838150.db2.gz UEMKHLPUCZFFHD-UHFFFAOYSA-N 1 0 280.368 2.744 20 5 CFBDRO CCC(CC)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000291715383 198068634 /nfs/dbraw/zinc/06/86/34/198068634.db2.gz LXONWWJTAJIFEH-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000291754102 198080699 /nfs/dbraw/zinc/08/06/99/198080699.db2.gz GBLIJWQREONPLK-JTQLQIEISA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C[NH+](C)C ZINC000291972585 198122280 /nfs/dbraw/zinc/12/22/80/198122280.db2.gz WHCBKUUHTGGTIX-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000271453203 191145345 /nfs/dbraw/zinc/14/53/45/191145345.db2.gz GLDRYJDLYCXGMW-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)n[nH]1 ZINC000615724250 352236201 /nfs/dbraw/zinc/23/62/01/352236201.db2.gz SQVAIWYSRNVEKG-WDZFZDKYSA-N 1 0 286.335 2.819 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1sccc1[N+](=O)[O-] ZINC000615948781 352266225 /nfs/dbraw/zinc/26/62/25/352266225.db2.gz QMKCMLPXJKGBSH-UHFFFAOYSA-N 1 0 283.397 2.969 20 5 CFBDRO CC[N@H+](CCOC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615833538 352247118 /nfs/dbraw/zinc/24/71/18/352247118.db2.gz YQHSZCTYPSAVDL-RAXLEYEMSA-N 1 0 278.352 2.966 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCCO)C1CC1 ZINC000615835219 352247261 /nfs/dbraw/zinc/24/72/61/352247261.db2.gz BQLCACJDNGTJCU-RAXLEYEMSA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000271528504 191193946 /nfs/dbraw/zinc/19/39/46/191193946.db2.gz WIDAYRXATAIVEH-JTQLQIEISA-N 1 0 290.323 2.570 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CC2)n1 ZINC000618571885 352814664 /nfs/dbraw/zinc/81/46/64/352814664.db2.gz KLTRZUHUARUZSF-QWHCGFSZSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618573000 352814844 /nfs/dbraw/zinc/81/48/44/352814844.db2.gz HIXSQBQJHXLRDW-HZMBPMFUSA-N 1 0 278.352 2.721 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)n1 ZINC000618571883 352815018 /nfs/dbraw/zinc/81/50/18/352815018.db2.gz KLTRZUHUARUZSF-CHWSQXEVSA-N 1 0 278.356 2.665 20 5 CFBDRO CC(C)(CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618986711 352928044 /nfs/dbraw/zinc/92/80/44/352928044.db2.gz QCBAHWDLGRZXCG-CQSZACIVSA-N 1 0 292.379 2.925 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CCO2)CC1 ZINC000619727178 353060518 /nfs/dbraw/zinc/06/05/18/353060518.db2.gz OCNLIVNTVWUXOB-HYXAFXHYSA-N 1 0 288.347 2.863 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000153101837 188064840 /nfs/dbraw/zinc/06/48/40/188064840.db2.gz OTPWFBCTHVOKTI-RYUDHWBXSA-N 1 0 264.325 2.733 20 5 CFBDRO COCCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153325074 188075886 /nfs/dbraw/zinc/07/58/86/188075886.db2.gz WZGQQHOAYXZIKT-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)CC)cc1[N+](=O)[O-] ZINC000153668813 188096024 /nfs/dbraw/zinc/09/60/24/188096024.db2.gz UGSMFSJDPFZEIC-XHDPSFHLSA-N 1 0 296.367 2.805 20 5 CFBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358246 198257884 /nfs/dbraw/zinc/25/78/84/198257884.db2.gz FQDLOXVZKKOANF-GJZGRUSLSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000154431221 188142462 /nfs/dbraw/zinc/14/24/62/188142462.db2.gz FPBKVCQVZQQKGB-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000154446804 188143275 /nfs/dbraw/zinc/14/32/75/188143275.db2.gz JZORIESKYFOKEV-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154536825 188149217 /nfs/dbraw/zinc/14/92/17/188149217.db2.gz ADKSFLGKJMFKPG-BXUZGUMPSA-N 1 0 266.341 2.715 20 5 CFBDRO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155820066 188229948 /nfs/dbraw/zinc/22/99/48/188229948.db2.gz ARXMLUBFGDQHPT-WWGRRREGSA-N 1 0 291.395 2.974 20 5 CFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158715865 188390882 /nfs/dbraw/zinc/39/08/82/188390882.db2.gz FGGCSQXOBILHOT-SWLSCSKDSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728636 191294405 /nfs/dbraw/zinc/29/44/05/191294405.db2.gz MPMVNMHVBNOOTL-CHWSQXEVSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273007762 192015821 /nfs/dbraw/zinc/01/58/21/192015821.db2.gz BJTFJNLGNMIZOW-OLZOCXBDSA-N 1 0 278.352 2.890 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272215436 283152402 /nfs/dbraw/zinc/15/24/02/283152402.db2.gz QZQYNXRBEOSOIH-IINYFYTJSA-N 1 0 295.770 2.779 20 5 CFBDRO CSCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293708823 198741212 /nfs/dbraw/zinc/74/12/12/198741212.db2.gz LVCGLMHQASPOHK-SECBINFHSA-N 1 0 269.370 2.581 20 5 CFBDRO CC(C)(CO)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000294762632 199171251 /nfs/dbraw/zinc/17/12/51/199171251.db2.gz JFEVGFFNUTZDDA-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119505033 540467663 /nfs/dbraw/zinc/46/76/63/540467663.db2.gz IOKIJGMNMUEJKE-ZDUSSCGKSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916819 237345390 /nfs/dbraw/zinc/34/53/90/237345390.db2.gz BOAUYHSHBGNUTE-SGMGOOAPSA-N 1 0 277.368 2.694 20 5 CFBDRO CC(C)OC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176898392 189013638 /nfs/dbraw/zinc/01/36/38/189013638.db2.gz NOTYTPMYXMFEAA-LLVKDONJSA-N 1 0 280.324 2.587 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000177930683 189080261 /nfs/dbraw/zinc/08/02/61/189080261.db2.gz VCZQQBHHSRXNRQ-NWDGAFQWSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1cccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000179584147 189204182 /nfs/dbraw/zinc/20/41/82/189204182.db2.gz WGBRFFRZNXENAR-UHFFFAOYSA-N 1 0 288.351 2.625 20 5 CFBDRO C[C@H](C[NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300318 238355529 /nfs/dbraw/zinc/35/55/29/238355529.db2.gz DMBXDQNKOFDPHE-CXAGYDPISA-N 1 0 299.374 2.869 20 5 CFBDRO Cc1cnc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301425069 201004216 /nfs/dbraw/zinc/00/42/16/201004216.db2.gz GJRPAACPZZBCIX-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000181775970 189306581 /nfs/dbraw/zinc/30/65/81/189306581.db2.gz CUBXZMDSZBCTPU-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355745 189321098 /nfs/dbraw/zinc/32/10/98/189321098.db2.gz RSPASZIZRDOPHY-ZDUSSCGKSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182890807 189338655 /nfs/dbraw/zinc/33/86/55/189338655.db2.gz HMZYNEREHFMHTQ-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO Cc1nc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301653866 201118965 /nfs/dbraw/zinc/11/89/65/201118965.db2.gz RIZWVSLFJZDNPQ-NEPJUHHUSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccnn2C)cc1[N+](=O)[O-] ZINC000184015199 189373846 /nfs/dbraw/zinc/37/38/46/189373846.db2.gz KLXBJAZGVFFNMV-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO CC[C@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301973698 201283036 /nfs/dbraw/zinc/28/30/36/201283036.db2.gz AEAYEHCKCPFLOT-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000301980947 201287542 /nfs/dbraw/zinc/28/75/42/201287542.db2.gz GXVLIPPFBMNFJV-VIFPVBQESA-N 1 0 257.359 2.799 20 5 CFBDRO CCC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301984079 201287776 /nfs/dbraw/zinc/28/77/76/201287776.db2.gz ITPUATDTZLJSSW-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000302039797 201314752 /nfs/dbraw/zinc/31/47/52/201314752.db2.gz VZZALARMBNUXAG-VHSXEESVSA-N 1 0 269.370 2.941 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426473862 239229871 /nfs/dbraw/zinc/22/98/71/239229871.db2.gz RQBUKQJZVVIFKO-IUODEOHRSA-N 1 0 276.336 2.848 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000275435289 193036111 /nfs/dbraw/zinc/03/61/11/193036111.db2.gz GOVTXMBNRVAWQO-GRYCIOLGSA-N 1 0 291.351 2.795 20 5 CFBDRO COc1ccc(OCC[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000441436956 240936286 /nfs/dbraw/zinc/93/62/86/240936286.db2.gz IRQZZYYQIOUJEX-UHFFFAOYSA-N 1 0 296.367 2.960 20 5 CFBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000443442354 241063090 /nfs/dbraw/zinc/06/30/90/241063090.db2.gz HBHHTCGRXVLHGG-LLVKDONJSA-N 1 0 288.351 2.813 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CCC2)n1 ZINC000447542772 241383385 /nfs/dbraw/zinc/38/33/85/241383385.db2.gz QBGDRVIXTSMNNL-STQMWFEESA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000449179139 241750181 /nfs/dbraw/zinc/75/01/81/241750181.db2.gz YYKBFRBNWCOLLU-CMPLNLGQSA-N 1 0 266.366 2.621 20 5 CFBDRO COCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449308741 241836933 /nfs/dbraw/zinc/83/69/33/241836933.db2.gz ZJGABENNLGJHLC-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449198856 241761581 /nfs/dbraw/zinc/76/15/81/241761581.db2.gz AEIWBCKAFQUQKB-JGGQBBKZSA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449521010 242000842 /nfs/dbraw/zinc/00/08/42/242000842.db2.gz GZMPIUCOBLLJTN-RLWBPUTGSA-N 1 0 276.336 2.765 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449625423 242073938 /nfs/dbraw/zinc/07/39/38/242073938.db2.gz RTNLHCNSFRWWNX-HZRUHFOJSA-N 1 0 276.336 2.623 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000449678395 242103888 /nfs/dbraw/zinc/10/38/88/242103888.db2.gz PKSOTPSTKUUVOA-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000449683552 242107075 /nfs/dbraw/zinc/10/70/75/242107075.db2.gz JGNHRTSRLXCUAG-OAHLLOKOSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000449740573 242129349 /nfs/dbraw/zinc/12/93/49/242129349.db2.gz PYAYBDZDWOIKDO-LRDDRELGSA-N 1 0 292.379 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)cc1 ZINC000451550491 242880355 /nfs/dbraw/zinc/88/03/55/242880355.db2.gz RYBWBTXELCTDBX-UKRRQHHQSA-N 1 0 290.363 2.811 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330691291 203121979 /nfs/dbraw/zinc/12/19/79/203121979.db2.gz BCJICWUEUQNCJX-LSDHHAIUSA-N 1 0 292.379 2.824 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330709233 203139702 /nfs/dbraw/zinc/13/97/02/203139702.db2.gz OEJBJNHXYIHXGO-LSDHHAIUSA-N 1 0 292.379 2.824 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCCO ZINC000276377698 193305831 /nfs/dbraw/zinc/30/58/31/193305831.db2.gz LBCRUQURPLBXIR-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459426371 245175893 /nfs/dbraw/zinc/17/58/93/245175893.db2.gz TYRAORFHKXEXMX-UHFFFAOYSA-N 1 0 298.346 2.595 20 5 CFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000459676292 245267661 /nfs/dbraw/zinc/26/76/61/245267661.db2.gz NNNVBVYUFIZOQW-HNNXBMFYSA-N 1 0 278.352 2.986 20 5 CFBDRO Cc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955197 245374877 /nfs/dbraw/zinc/37/48/77/245374877.db2.gz FCTKBMRVYYQCIB-JQWIXIFHSA-N 1 0 281.331 2.937 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H](C)C1 ZINC000332315732 204593227 /nfs/dbraw/zinc/59/32/27/204593227.db2.gz YLCFYGQSVKPGIC-NEPJUHHUSA-N 1 0 264.325 2.624 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000020092531 372228551 /nfs/dbraw/zinc/22/85/51/372228551.db2.gz CDMYUIXXQCNEFX-WCQYABFASA-N 1 0 264.325 2.733 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000023042834 372250782 /nfs/dbraw/zinc/25/07/82/372250782.db2.gz RXAPIGZMIFETTE-AWEZNQCLSA-N 1 0 298.346 2.676 20 5 CFBDRO CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000023991597 372269357 /nfs/dbraw/zinc/26/93/57/372269357.db2.gz CGZRQICHVRMVJY-UHFFFAOYSA-N 1 0 299.758 2.919 20 5 CFBDRO CCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000026161824 372313886 /nfs/dbraw/zinc/31/38/86/372313886.db2.gz RLZHYXKVDQUVNZ-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO CCCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026161818 372314479 /nfs/dbraw/zinc/31/44/79/372314479.db2.gz KVGRDXMMXLTPTQ-UHFFFAOYSA-N 1 0 279.340 2.655 20 5 CFBDRO CC[C@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010473 372627385 /nfs/dbraw/zinc/62/73/85/372627385.db2.gz OBFSDLJOPVXFHT-AWEZNQCLSA-N 1 0 265.357 2.587 20 5 CFBDRO CC[C@@H]([NH2+]CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010518 372627514 /nfs/dbraw/zinc/62/75/14/372627514.db2.gz OEUXXGFGTODSIU-OAHLLOKOSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037156930 372659896 /nfs/dbraw/zinc/65/98/96/372659896.db2.gz PLYWRZYDFNLBRD-RYUDHWBXSA-N 1 0 274.324 2.531 20 5 CFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038013962 372769071 /nfs/dbraw/zinc/76/90/71/372769071.db2.gz WLRWOGFVMUNHEX-RYUDHWBXSA-N 1 0 293.367 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2F)cc1 ZINC000038079371 372772714 /nfs/dbraw/zinc/77/27/14/372772714.db2.gz SQBHFNYXVXGTNT-UHFFFAOYSA-N 1 0 290.294 2.903 20 5 CFBDRO C[NH+](C)CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000041058413 372806576 /nfs/dbraw/zinc/80/65/76/372806576.db2.gz KJTUUHIYSDLUSD-UHFFFAOYSA-N 1 0 257.721 2.612 20 5 CFBDRO Cc1ccc(C[NH2+]CCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000044353200 373002597 /nfs/dbraw/zinc/00/25/97/373002597.db2.gz OXUGXAONFLNLIE-UHFFFAOYSA-N 1 0 288.351 2.670 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+](C)C ZINC000043411941 372989470 /nfs/dbraw/zinc/98/94/70/372989470.db2.gz LEIQKTJZAQRULT-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])nc2)([NH+](C)C)C1 ZINC000048553465 373198951 /nfs/dbraw/zinc/19/89/51/373198951.db2.gz XNASTAXCEIBPNG-WFASDCNBSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000049558746 373311099 /nfs/dbraw/zinc/31/10/99/373311099.db2.gz WSECKZSOPICRBO-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO C[NH+](C)C(C)(C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963748 373338576 /nfs/dbraw/zinc/33/85/76/373338576.db2.gz LIMFCGJHXVGPOV-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015614 373340612 /nfs/dbraw/zinc/34/06/12/373340612.db2.gz ZUDJQSDIYHIZBM-TZMCWYRMSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1c(C[N@@H+]2CCCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000050105122 373353468 /nfs/dbraw/zinc/35/34/68/373353468.db2.gz OHILYWUOQTYIJN-AWEZNQCLSA-N 1 0 278.352 2.640 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000051149555 373388266 /nfs/dbraw/zinc/38/82/66/373388266.db2.gz CWQPDUILJMBOMS-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000051576246 373400385 /nfs/dbraw/zinc/40/03/85/373400385.db2.gz WHGZTJZLGAJIRI-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000052812735 373451511 /nfs/dbraw/zinc/45/15/11/373451511.db2.gz UWWCOCSENCSMFS-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000052926254 373458459 /nfs/dbraw/zinc/45/84/59/373458459.db2.gz VZZUQDFQAFVOAK-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000052926315 373459443 /nfs/dbraw/zinc/45/94/43/373459443.db2.gz PFEVRZULSYCBDT-INIZCTEOSA-N 1 0 286.331 2.592 20 5 CFBDRO CCC(CC)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000053066346 373463314 /nfs/dbraw/zinc/46/33/14/373463314.db2.gz XHQRFCPOSIARIA-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO CC(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000053363824 373477195 /nfs/dbraw/zinc/47/71/95/373477195.db2.gz YHQDMKOCRVPOCT-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])cc1F ZINC000184222754 220222556 /nfs/dbraw/zinc/22/25/56/220222556.db2.gz VFVXROQHNACUHT-PHIMTYICSA-N 1 0 294.326 2.830 20 5 CFBDRO COc1ccccc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000061015804 373710883 /nfs/dbraw/zinc/71/08/83/373710883.db2.gz AXCVPLQUXFYZSQ-UHFFFAOYSA-N 1 0 286.331 2.936 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000068449992 374030095 /nfs/dbraw/zinc/03/00/95/374030095.db2.gz ZQQIYLIHRRJTGO-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070272222 374159503 /nfs/dbraw/zinc/15/95/03/374159503.db2.gz PJVJOVJKSIVBIN-LLVKDONJSA-N 1 0 280.324 2.589 20 5 CFBDRO Cc1ccnc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000070496029 374188192 /nfs/dbraw/zinc/18/81/92/374188192.db2.gz ZCIJJEKCWMRIGT-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC1(C)C ZINC000072605110 374268992 /nfs/dbraw/zinc/26/89/92/374268992.db2.gz ZJIROJNFXZCNAM-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000072950242 374307507 /nfs/dbraw/zinc/30/75/07/374307507.db2.gz VEILSXDMMRIBEQ-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CC(C)C[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000072978671 374310829 /nfs/dbraw/zinc/31/08/29/374310829.db2.gz BGDYHJDIYKJLBT-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000076004726 374520330 /nfs/dbraw/zinc/52/03/30/374520330.db2.gz JSXYHDFFBXJATA-CQSZACIVSA-N 1 0 291.395 2.759 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(C)(C)C1 ZINC000076014448 374520995 /nfs/dbraw/zinc/52/09/95/374520995.db2.gz DYGIHQXVSAMFSC-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000075646927 374498192 /nfs/dbraw/zinc/49/81/92/374498192.db2.gz PBCWFSRYKVPNDS-CQSZACIVSA-N 1 0 266.341 2.576 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081570875 374706225 /nfs/dbraw/zinc/70/62/25/374706225.db2.gz ZSMTUVBMIPUWQP-HNNXBMFYSA-N 1 0 291.395 2.759 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081707759 374713180 /nfs/dbraw/zinc/71/31/80/374713180.db2.gz BPZWLEIGVCAXHL-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571536296 383704045 /nfs/dbraw/zinc/70/40/45/383704045.db2.gz CMAOIDZVIBURGA-DOMZBBRYSA-N 1 0 291.395 2.902 20 5 CFBDRO CC[C@H]([NH2+]CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090224519 375006953 /nfs/dbraw/zinc/00/69/53/375006953.db2.gz NCDHXYUHRALCBC-HNNXBMFYSA-N 1 0 276.336 2.982 20 5 CFBDRO CC(C)=CCC[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539102 375021244 /nfs/dbraw/zinc/02/12/44/375021244.db2.gz BRUUXOHPXMJCSR-LBPRGKRZSA-N 1 0 266.345 2.516 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000090795148 375030296 /nfs/dbraw/zinc/03/02/96/375030296.db2.gz KHPQPDSYULFMPD-NXEZZACHSA-N 1 0 267.304 2.629 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000451787003 383706609 /nfs/dbraw/zinc/70/66/09/383706609.db2.gz XQNPSJMILAFLFV-OAHLLOKOSA-N 1 0 294.395 2.866 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000093818532 375315703 /nfs/dbraw/zinc/31/57/03/375315703.db2.gz YISPIXOYKVFJED-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(C)(C)C[NH3+] ZINC000093861197 375323522 /nfs/dbraw/zinc/32/35/22/375323522.db2.gz DIGQZVPCJOGDGO-LLVKDONJSA-N 1 0 265.357 2.573 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094948455 375395079 /nfs/dbraw/zinc/39/50/79/375395079.db2.gz VDSIWKUZSCTKBE-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000094796975 375379924 /nfs/dbraw/zinc/37/99/24/375379924.db2.gz DPKFXPYVPZVIDG-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000094801387 375380785 /nfs/dbraw/zinc/38/07/85/375380785.db2.gz MNCDLMSQBDBLDV-ZDUSSCGKSA-N 1 0 284.743 2.907 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000102426183 375675483 /nfs/dbraw/zinc/67/54/83/375675483.db2.gz PGRRYVQPLLHYBJ-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000111637297 375860834 /nfs/dbraw/zinc/86/08/34/375860834.db2.gz NJPBCQXCVRFAIY-SECBINFHSA-N 1 0 292.257 2.824 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000112379530 375914792 /nfs/dbraw/zinc/91/47/92/375914792.db2.gz FRJGVUJBAAVMSU-IUCCYITESA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198683 376053130 /nfs/dbraw/zinc/05/31/30/376053130.db2.gz AUPSKTLZDGCMKQ-QWHCGFSZSA-N 1 0 277.368 2.539 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+](C)C)C1 ZINC000266738182 296240660 /nfs/dbraw/zinc/24/06/60/296240660.db2.gz MPRHUZZNQCYWDA-STQMWFEESA-N 1 0 277.368 2.539 20 5 CFBDRO CCOc1cc(C[NH2+][C@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000451809624 383713271 /nfs/dbraw/zinc/71/32/71/383713271.db2.gz JHKCIIVUOGTILA-AWEZNQCLSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000118415035 376296027 /nfs/dbraw/zinc/29/60/27/376296027.db2.gz ZFJYEYQUCAIFGO-NEPJUHHUSA-N 1 0 296.392 2.799 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000119852997 376488027 /nfs/dbraw/zinc/48/80/27/376488027.db2.gz HFTZVRKNKQBRGQ-CYBMUJFWSA-N 1 0 266.366 2.575 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000451816140 383715252 /nfs/dbraw/zinc/71/52/52/383715252.db2.gz YIMBDRDBIXBEPQ-SMDDNHRTSA-N 1 0 278.352 2.979 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000451819790 383716621 /nfs/dbraw/zinc/71/66/21/383716621.db2.gz BKYYERPRSZYPKA-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000125580325 377173461 /nfs/dbraw/zinc/17/34/61/377173461.db2.gz AXYPPLPHMFKANL-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000129522226 377438936 /nfs/dbraw/zinc/43/89/36/377438936.db2.gz JPNPLRVNTVNSSC-MRVPVSSYSA-N 1 0 257.721 2.516 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059008 190154891 /nfs/dbraw/zinc/15/48/91/190154891.db2.gz RZOGMXVYODOCRG-CABCVRRESA-N 1 0 278.352 2.720 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265522316 190188082 /nfs/dbraw/zinc/18/80/82/190188082.db2.gz MCIFQFOXUAJZKM-VIFPVBQESA-N 1 0 284.747 2.538 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131541303 377724952 /nfs/dbraw/zinc/72/49/52/377724952.db2.gz ZXWHSNJEJHPXPK-GFCCVEGCSA-N 1 0 266.341 2.980 20 5 CFBDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000133825679 377960569 /nfs/dbraw/zinc/96/05/69/377960569.db2.gz VWASTEZZNBRSII-IUCAKERBSA-N 1 0 254.717 2.994 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC1CC1 ZINC000135289937 378111651 /nfs/dbraw/zinc/11/16/51/378111651.db2.gz YJUFRRXRDZLWFE-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135310179 378115024 /nfs/dbraw/zinc/11/50/24/378115024.db2.gz YNGGMXYNCZSDCW-ZDUSSCGKSA-N 1 0 280.372 2.692 20 5 CFBDRO CC(C)CC[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135310366 378115360 /nfs/dbraw/zinc/11/53/60/378115360.db2.gz SILDKIDXHDWQHA-CYBMUJFWSA-N 1 0 280.372 2.692 20 5 CFBDRO CSC[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000135480582 378137470 /nfs/dbraw/zinc/13/74/70/378137470.db2.gz PSCHNWPTEKMTKS-ZDUSSCGKSA-N 1 0 296.392 2.801 20 5 CFBDRO CC[C@]1(C)CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000135665363 378154823 /nfs/dbraw/zinc/15/48/23/378154823.db2.gz YAXVDOJHGNAFSO-OAHLLOKOSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000135174217 378095072 /nfs/dbraw/zinc/09/50/72/378095072.db2.gz XJKOUVFUFWDKJH-PWSUYJOCSA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000149370153 378263280 /nfs/dbraw/zinc/26/32/80/378263280.db2.gz UKHIJKSFDHCCPT-UHFFFAOYSA-N 1 0 289.379 2.559 20 5 CFBDRO COCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151666617 378345362 /nfs/dbraw/zinc/34/53/62/378345362.db2.gz NNIZVXJVJIBJFP-NSHDSACASA-N 1 0 252.314 2.590 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152808482 378450035 /nfs/dbraw/zinc/45/00/35/378450035.db2.gz OMHDPEUYXQIILH-CYBMUJFWSA-N 1 0 279.384 2.896 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1Cl ZINC000154210771 378549409 /nfs/dbraw/zinc/54/94/09/378549409.db2.gz XSBJGHVABVHMRL-AWEZNQCLSA-N 1 0 296.754 2.861 20 5 CFBDRO C[C@@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331072306 378626819 /nfs/dbraw/zinc/62/68/19/378626819.db2.gz SSICZMGOFJSZAO-LBPRGKRZSA-N 1 0 278.352 2.637 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCSC1 ZINC000266144580 190234710 /nfs/dbraw/zinc/23/47/10/190234710.db2.gz IEOZEWLZVNEDOZ-OGOUPESXSA-N 1 0 264.350 2.703 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000331003871 378612991 /nfs/dbraw/zinc/61/29/91/378612991.db2.gz RTJMAOUJLPKSRR-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331285160 378663199 /nfs/dbraw/zinc/66/31/99/378663199.db2.gz GEYJEYKXTFPWLJ-VXGBXAGGSA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281855 378663800 /nfs/dbraw/zinc/66/38/00/378663800.db2.gz ITLKHUCSXZOSKX-HFAKWTLXSA-N 1 0 296.342 2.715 20 5 CFBDRO CCC(CC)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000159664116 378722629 /nfs/dbraw/zinc/72/26/29/378722629.db2.gz KTSFSGNBMZZJMO-UHFFFAOYSA-N 1 0 294.351 2.664 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000160542074 378780335 /nfs/dbraw/zinc/78/03/35/378780335.db2.gz ZIQNURYBQMPPSK-GFCCVEGCSA-N 1 0 294.351 2.651 20 5 CFBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332647542 378782920 /nfs/dbraw/zinc/78/29/20/378782920.db2.gz CAXCBJOOXNRMCT-LBPRGKRZSA-N 1 0 280.372 2.729 20 5 CFBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332710984 378792711 /nfs/dbraw/zinc/79/27/11/378792711.db2.gz OTABXEDQFZBACR-LBPRGKRZSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000161473176 378848998 /nfs/dbraw/zinc/84/89/98/378848998.db2.gz KLCFACVADFACFW-GFCCVEGCSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000266239391 190242794 /nfs/dbraw/zinc/24/27/94/190242794.db2.gz LAFDTUCSSLRYEM-UWVGGRQHSA-N 1 0 298.774 2.562 20 5 CFBDRO CC(C)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339505875 220265561 /nfs/dbraw/zinc/26/55/61/220265561.db2.gz DZFNFJAVEDRDQS-UHFFFAOYSA-N 1 0 264.325 2.752 20 5 CFBDRO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266433820 190257580 /nfs/dbraw/zinc/25/75/80/190257580.db2.gz DSVUTSGCNPDEQT-NSHDSACASA-N 1 0 280.324 2.587 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000266508622 190262091 /nfs/dbraw/zinc/26/20/91/190262091.db2.gz CYNLMCCOFJSHSA-KGLIPLIRSA-N 1 0 291.395 2.929 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171950501 379449402 /nfs/dbraw/zinc/44/94/02/379449402.db2.gz JVNFTZFJQNBZIP-LLVKDONJSA-N 1 0 293.367 2.820 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266804265 190281592 /nfs/dbraw/zinc/28/15/92/190281592.db2.gz SQOWUHXUKAZYMX-GXFFZTMASA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000266886443 190287312 /nfs/dbraw/zinc/28/73/12/190287312.db2.gz CFDLFTBZUITMBF-CYBMUJFWSA-N 1 0 292.364 2.690 20 5 CFBDRO COC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266962055 190293704 /nfs/dbraw/zinc/29/37/04/190293704.db2.gz XQXAXAWXDLJOJV-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000267075213 190301708 /nfs/dbraw/zinc/30/17/08/190301708.db2.gz WURBBBCBICGTIF-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172669455 379619475 /nfs/dbraw/zinc/61/94/75/379619475.db2.gz HKPKKOLTPVUMAR-LBPRGKRZSA-N 1 0 266.341 2.840 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173344827 379728285 /nfs/dbraw/zinc/72/82/85/379728285.db2.gz WVVHFFAWHJYIIX-KBPBESRZSA-N 1 0 291.395 2.977 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000267277462 190317063 /nfs/dbraw/zinc/31/70/63/190317063.db2.gz OAZJFGANFKQPOI-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000267279359 190317552 /nfs/dbraw/zinc/31/75/52/190317552.db2.gz UWFLSNLBCFGSDE-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000173662470 379761850 /nfs/dbraw/zinc/76/18/50/379761850.db2.gz WFXMYQFTPNUHNR-UHFFFAOYSA-N 1 0 294.351 2.857 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000174863100 379953438 /nfs/dbraw/zinc/95/34/38/379953438.db2.gz DAHXYUUOUXAMPG-HNNXBMFYSA-N 1 0 290.367 2.614 20 5 CFBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178207252 380421448 /nfs/dbraw/zinc/42/14/48/380421448.db2.gz YBEPOFDFIWJIOO-ZDUSSCGKSA-N 1 0 291.351 2.702 20 5 CFBDRO COCC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000336814217 380674638 /nfs/dbraw/zinc/67/46/38/380674638.db2.gz WOLOBIOQGALCRT-UHFFFAOYSA-N 1 0 266.341 2.665 20 5 CFBDRO COc1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402038332 380880605 /nfs/dbraw/zinc/88/06/05/380880605.db2.gz KSDYXVPZNAOMMY-GFCCVEGCSA-N 1 0 294.351 2.510 20 5 CFBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341217595 380837192 /nfs/dbraw/zinc/83/71/92/380837192.db2.gz YEQYLWGNNDGHKT-GFCCVEGCSA-N 1 0 274.324 2.569 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353769928 380839062 /nfs/dbraw/zinc/83/90/62/380839062.db2.gz SRQRTQXOCBYQNK-DZGCQCFKSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[C@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000287546494 380861182 /nfs/dbraw/zinc/86/11/82/380861182.db2.gz WDPYVBHDBDGCME-JTQLQIEISA-N 1 0 286.759 2.841 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000341287196 380902504 /nfs/dbraw/zinc/90/25/04/380902504.db2.gz ZEHMYSYTJWDTCK-TZMCWYRMSA-N 1 0 294.351 2.508 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000353881706 380925079 /nfs/dbraw/zinc/92/50/79/380925079.db2.gz MJGXMRQFBOSNOO-VURMDHGXSA-N 1 0 290.363 2.845 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1OCCC[NH+]1CCCCC1 ZINC000341347862 380955335 /nfs/dbraw/zinc/95/53/35/380955335.db2.gz HQINKEDWMKYLOD-UHFFFAOYSA-N 1 0 282.315 2.989 20 5 CFBDRO C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000295596542 380964824 /nfs/dbraw/zinc/96/48/24/380964824.db2.gz UBSGASNVTOCLMN-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CCn1nccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295659569 381002018 /nfs/dbraw/zinc/00/20/18/381002018.db2.gz BNPUHKXGAMVJLU-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000358670212 381003217 /nfs/dbraw/zinc/00/32/17/381003217.db2.gz VVQAZKQYMYYNFG-UHFFFAOYSA-N 1 0 281.331 2.656 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182294298 381053648 /nfs/dbraw/zinc/05/36/48/381053648.db2.gz VJGAZKOJBGNKNJ-CABCVRRESA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000182340497 381069147 /nfs/dbraw/zinc/06/91/47/381069147.db2.gz WIXZUWGFJXZEFN-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000182266701 381044051 /nfs/dbraw/zinc/04/40/51/381044051.db2.gz IYYJGZQRPHEAAS-DZGCQCFKSA-N 1 0 294.351 2.651 20 5 CFBDRO COCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347347320 381087628 /nfs/dbraw/zinc/08/76/28/381087628.db2.gz WUYVIOZCUCFALK-XFXZXTDPSA-N 1 0 264.325 2.576 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000368625371 381087667 /nfs/dbraw/zinc/08/76/67/381087667.db2.gz PJKHYGSCJVYUJM-CABCVRRESA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000368625374 381087904 /nfs/dbraw/zinc/08/79/04/381087904.db2.gz PJKHYGSCJVYUJM-LSDHHAIUSA-N 1 0 276.336 2.560 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000295811252 381091346 /nfs/dbraw/zinc/09/13/46/381091346.db2.gz AAHRTWCDMYUEIK-SMDDNHRTSA-N 1 0 286.335 2.629 20 5 CFBDRO Cc1c(CN2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347357189 381094336 /nfs/dbraw/zinc/09/43/36/381094336.db2.gz RZLREYSCSAWYMG-CYBMUJFWSA-N 1 0 252.289 2.837 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CC)OC ZINC000289693061 381105682 /nfs/dbraw/zinc/10/56/82/381105682.db2.gz DEKIPORRWZEXMV-CYBMUJFWSA-N 1 0 282.340 2.508 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCOC1 ZINC000347376092 381108688 /nfs/dbraw/zinc/10/86/88/381108688.db2.gz ZHBLPPRFIGECBV-LDCOFTPGSA-N 1 0 276.336 2.719 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279348907 194394684 /nfs/dbraw/zinc/39/46/84/194394684.db2.gz VJBOHKONCFULSH-VXGBXAGGSA-N 1 0 291.351 2.702 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000347448043 381156572 /nfs/dbraw/zinc/15/65/72/381156572.db2.gz JLZLVHKCVHWTMQ-UHFFFAOYSA-N 1 0 294.351 2.603 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000358926971 381160018 /nfs/dbraw/zinc/16/00/18/381160018.db2.gz UEVQOEKVOBTOEF-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368791184 381134505 /nfs/dbraw/zinc/13/45/05/381134505.db2.gz KHOMFSANUJDGFY-OAHLLOKOSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCSCC(F)(F)F ZINC000354279678 381180986 /nfs/dbraw/zinc/18/09/86/381180986.db2.gz CNCHRJHGUNPPFQ-UHFFFAOYSA-N 1 0 294.298 2.980 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000182995270 381195576 /nfs/dbraw/zinc/19/55/76/381195576.db2.gz XHUINEDNBNMNQR-IUODEOHRSA-N 1 0 278.352 2.811 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347531863 381204188 /nfs/dbraw/zinc/20/41/88/381204188.db2.gz CJVBJRVOWQJTOU-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000183061799 381206133 /nfs/dbraw/zinc/20/61/33/381206133.db2.gz NWFOOOJIWHWWQU-VXGBXAGGSA-N 1 0 266.341 2.998 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000359085852 381257191 /nfs/dbraw/zinc/25/71/91/381257191.db2.gz UGKNXQVSNBULQF-QWHCGFSZSA-N 1 0 290.367 2.645 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359088412 381258452 /nfs/dbraw/zinc/25/84/52/381258452.db2.gz ZANAIFDLBRPADI-ZDUSSCGKSA-N 1 0 292.383 2.893 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2CCCC2)n1 ZINC000359098456 381264217 /nfs/dbraw/zinc/26/42/17/381264217.db2.gz ACPLNSTXWUSZAN-UHFFFAOYSA-N 1 0 278.356 2.504 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000183385791 381264280 /nfs/dbraw/zinc/26/42/80/381264280.db2.gz MLPZUFNDYPQUMC-OAHLLOKOSA-N 1 0 276.336 2.516 20 5 CFBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000347634053 381267764 /nfs/dbraw/zinc/26/77/64/381267764.db2.gz IYFSAWVFVFCVLT-VIFPVBQESA-N 1 0 280.353 2.631 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCSC2)c(F)c1 ZINC000342308667 381269004 /nfs/dbraw/zinc/26/90/04/381269004.db2.gz HSQXMCDBLALSRU-JTQLQIEISA-N 1 0 284.356 2.967 20 5 CFBDRO CC[C@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000183288369 381250226 /nfs/dbraw/zinc/25/02/26/381250226.db2.gz DBJCUBJXESVBBB-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000354458624 381285029 /nfs/dbraw/zinc/28/50/29/381285029.db2.gz QIFUSAPFDIUPED-GFCCVEGCSA-N 1 0 296.367 2.849 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342405818 381314134 /nfs/dbraw/zinc/31/41/34/381314134.db2.gz JLGQIRORUFOXGD-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000369901534 381349985 /nfs/dbraw/zinc/34/99/85/381349985.db2.gz GWCFMVIMIXRTGM-GJZGRUSLSA-N 1 0 290.363 2.762 20 5 CFBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290268164 381363933 /nfs/dbraw/zinc/36/39/33/381363933.db2.gz XNNXBLQPVILHKT-HHAVJRIZSA-N 1 0 290.363 2.701 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000370059915 381375950 /nfs/dbraw/zinc/37/59/50/381375950.db2.gz MELOOTJZRARSJW-UHFFFAOYSA-N 1 0 292.364 2.690 20 5 CFBDRO CCC(=O)c1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000359368579 381376707 /nfs/dbraw/zinc/37/67/07/381376707.db2.gz GUNZSEXSRNWSTE-UHFFFAOYSA-N 1 0 279.340 2.551 20 5 CFBDRO CCCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000347931509 381420421 /nfs/dbraw/zinc/42/04/21/381420421.db2.gz ZAIAEASVNQUJET-LBPRGKRZSA-N 1 0 280.372 2.777 20 5 CFBDRO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290521888 381464462 /nfs/dbraw/zinc/46/44/62/381464462.db2.gz QBOLFXUIYXMWMG-DZGCQCFKSA-N 1 0 291.395 2.675 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348362547 381532048 /nfs/dbraw/zinc/53/20/48/381532048.db2.gz ANIHKQNNSYQNOY-CABCVRRESA-N 1 0 260.337 2.916 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000348470706 381581015 /nfs/dbraw/zinc/58/10/15/381581015.db2.gz RKHJZNROGRXQOM-ZDUSSCGKSA-N 1 0 296.367 2.754 20 5 CFBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000414856722 381610379 /nfs/dbraw/zinc/61/03/79/381610379.db2.gz ZJQCFBSHYRRHCL-OAHLLOKOSA-N 1 0 277.368 2.592 20 5 CFBDRO C[C@@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414938396 381629074 /nfs/dbraw/zinc/62/90/74/381629074.db2.gz FKCAYXVTNLAMDT-JTQLQIEISA-N 1 0 291.376 2.760 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000355120294 381625212 /nfs/dbraw/zinc/62/52/12/381625212.db2.gz YFTZUSBREIKNPS-LSDHHAIUSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1nn([C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000298464026 381638062 /nfs/dbraw/zinc/63/80/62/381638062.db2.gz YXHSKXNJEFSJDI-AWEZNQCLSA-N 1 0 286.335 2.547 20 5 CFBDRO Cc1nn([C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000298464029 381638659 /nfs/dbraw/zinc/63/86/59/381638659.db2.gz YXHSKXNJEFSJDI-CQSZACIVSA-N 1 0 286.335 2.547 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355141435 381638810 /nfs/dbraw/zinc/63/88/10/381638810.db2.gz YERAVSNYURFXRL-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H](C)OC ZINC000291224085 381714230 /nfs/dbraw/zinc/71/42/30/381714230.db2.gz LUAUWZYGMOLRTI-LLVKDONJSA-N 1 0 266.341 2.760 20 5 CFBDRO Cc1ccsc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348898630 381758391 /nfs/dbraw/zinc/75/83/91/381758391.db2.gz YMPIBSDQGKDOIU-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415057467 381742776 /nfs/dbraw/zinc/74/27/76/381742776.db2.gz UIAZFEFYXYCGTH-CHWSQXEVSA-N 1 0 295.408 2.620 20 5 CFBDRO COc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488936 381746523 /nfs/dbraw/zinc/74/65/23/381746523.db2.gz ZIMOUTHSKUKERV-MWLCHTKSSA-N 1 0 297.330 2.637 20 5 CFBDRO CN(CC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000415112834 381789042 /nfs/dbraw/zinc/78/90/42/381789042.db2.gz SKMRWNXGTSUWOP-UHFFFAOYSA-N 1 0 291.376 2.714 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000372155482 381765460 /nfs/dbraw/zinc/76/54/60/381765460.db2.gz KQVSQNNYOQUTKW-HUUCEWRRSA-N 1 0 276.336 2.503 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000360198251 381770198 /nfs/dbraw/zinc/77/01/98/381770198.db2.gz FZWRNEIAKLVGIO-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCCCO1 ZINC000299019104 381799905 /nfs/dbraw/zinc/79/99/05/381799905.db2.gz FNSNIKDCKQDNRU-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000299077423 381816005 /nfs/dbraw/zinc/81/60/05/381816005.db2.gz QXBRMOQDDVNOED-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000349342010 381897342 /nfs/dbraw/zinc/89/73/42/381897342.db2.gz MIQQUUXEHNFLPH-CWBMUHOVSA-N 1 0 264.325 2.573 20 5 CFBDRO CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000349413133 381928619 /nfs/dbraw/zinc/92/86/19/381928619.db2.gz CTDHRPDOKZBXRR-YFHOEESVSA-N 1 0 291.395 2.882 20 5 CFBDRO C[N@@H+]1CCCC12CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000343762145 381929294 /nfs/dbraw/zinc/92/92/94/381929294.db2.gz KJQFTICFSMDJGM-UHFFFAOYSA-N 1 0 295.408 2.717 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000349568916 381962485 /nfs/dbraw/zinc/96/24/85/381962485.db2.gz NHFJKWGOJJJWDV-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000343802005 381950309 /nfs/dbraw/zinc/95/03/09/381950309.db2.gz HBRDTQFJKCDYIK-NSHDSACASA-N 1 0 288.351 2.813 20 5 CFBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000293157445 382010530 /nfs/dbraw/zinc/01/05/30/382010530.db2.gz VIFGNYLVFBWIFE-RCQQVGEISA-N 1 0 278.352 2.747 20 5 CFBDRO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000293094880 381986216 /nfs/dbraw/zinc/98/62/16/381986216.db2.gz KQKSEPUDJIWWJU-OAHLLOKOSA-N 1 0 296.342 2.981 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[N@H+](C)C1CC1 ZINC000186788538 382015309 /nfs/dbraw/zinc/01/53/09/382015309.db2.gz XGYOAVDMBDXUEA-LBPRGKRZSA-N 1 0 277.368 2.682 20 5 CFBDRO CN(Cc1cccc([N+](=O)[O-])c1)CC1([NH+](C)C)CCC1 ZINC000186965968 382061150 /nfs/dbraw/zinc/06/11/50/382061150.db2.gz IPNOLZUAPCTYEL-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO Cc1nocc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293284553 382062104 /nfs/dbraw/zinc/06/21/04/382062104.db2.gz OIAFGNWNPXCFHF-UHFFFAOYSA-N 1 0 295.726 2.877 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000344018859 382070543 /nfs/dbraw/zinc/07/05/43/382070543.db2.gz MSZCBATWFJFPSL-SMDDNHRTSA-N 1 0 264.325 2.672 20 5 CFBDRO CCC[C@@H]([NH2+]CC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000186822721 382024477 /nfs/dbraw/zinc/02/44/77/382024477.db2.gz GJXFBTVSNFSPFZ-CQSZACIVSA-N 1 0 293.367 2.504 20 5 CFBDRO CC(C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312817 382036702 /nfs/dbraw/zinc/03/67/02/382036702.db2.gz OFMQETPPWKXKPY-CQSZACIVSA-N 1 0 278.352 2.723 20 5 CFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000351985009 382104863 /nfs/dbraw/zinc/10/48/63/382104863.db2.gz PUHCCROJYPLRQE-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000293404620 382110885 /nfs/dbraw/zinc/11/08/85/382110885.db2.gz RMJDXYQJTHDEAO-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C/c1ccncc1 ZINC000344084709 382119241 /nfs/dbraw/zinc/11/92/41/382119241.db2.gz CCCOOWSCRCDFLC-ONEGZZNKSA-N 1 0 283.331 2.835 20 5 CFBDRO Cc1ccnc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301265828 382128740 /nfs/dbraw/zinc/12/87/40/382128740.db2.gz GMCWOJKMBBMVTD-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344093215 382123927 /nfs/dbraw/zinc/12/39/27/382123927.db2.gz DVHLQGLAXSISQB-LERXQTSPSA-N 1 0 278.352 2.744 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362446839 382072620 /nfs/dbraw/zinc/07/26/20/382072620.db2.gz AWSUTUWOQHSUGV-ZBFHGGJFSA-N 1 0 290.363 2.904 20 5 CFBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000301112701 382084524 /nfs/dbraw/zinc/08/45/24/382084524.db2.gz ZLRBFOWHIPHXLP-ZDUSSCGKSA-N 1 0 263.341 2.881 20 5 CFBDRO CC(=O)c1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301137827 382089647 /nfs/dbraw/zinc/08/96/47/382089647.db2.gz DJLPGTVMDJDQHA-UHFFFAOYSA-N 1 0 291.351 2.551 20 5 CFBDRO CC[C@H](NC[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361096 382093156 /nfs/dbraw/zinc/09/31/56/382093156.db2.gz HKECBIQTIXBIFR-DOMZBBRYSA-N 1 0 279.384 2.833 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301295444 382140237 /nfs/dbraw/zinc/14/02/37/382140237.db2.gz XDGLZSOARAIURH-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO Cc1ccnc(NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000301310324 382145486 /nfs/dbraw/zinc/14/54/86/382145486.db2.gz ZHIXFQOQDBAZND-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO C[C@H]1C[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139118 382152468 /nfs/dbraw/zinc/15/24/68/382152468.db2.gz YASWFVQGXONHPX-WDEREUQCSA-N 1 0 298.770 2.841 20 5 CFBDRO COc1cc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000301337412 382153171 /nfs/dbraw/zinc/15/31/71/382153171.db2.gz DLIPXHKVDKZSFT-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO COc1cc(NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301351570 382156646 /nfs/dbraw/zinc/15/66/46/382156646.db2.gz JBZCQYAJZWCPSJ-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000301384683 382164540 /nfs/dbraw/zinc/16/45/40/382164540.db2.gz VAVNENPIHHMZRD-CQSZACIVSA-N 1 0 281.331 2.510 20 5 CFBDRO CC(=O)c1ccc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000357556101 382224049 /nfs/dbraw/zinc/22/40/49/382224049.db2.gz DTGLSCORQWYTKC-NSHDSACASA-N 1 0 293.367 2.938 20 5 CFBDRO COC1CC([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000352223081 382232001 /nfs/dbraw/zinc/23/20/01/382232001.db2.gz TZRJSLBDGRGQNL-UHFFFAOYSA-N 1 0 264.325 2.512 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCCC[C@H]1C ZINC000357699707 382285010 /nfs/dbraw/zinc/28/50/10/382285010.db2.gz VCVMYVBXAYTRJQ-VXGBXAGGSA-N 1 0 278.356 2.665 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000377540660 382287712 /nfs/dbraw/zinc/28/77/12/382287712.db2.gz ARVUHXZYKJBRKS-CYBMUJFWSA-N 1 0 276.336 2.978 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419334518 382289546 /nfs/dbraw/zinc/28/95/46/382289546.db2.gz VOOAEPGGDPRXPU-QWHCGFSZSA-N 1 0 294.399 2.938 20 5 CFBDRO CC[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000419230463 382253179 /nfs/dbraw/zinc/25/31/79/382253179.db2.gz IPWSTGLCEATHOJ-HNNXBMFYSA-N 1 0 278.352 2.984 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N(C)CC1([NH+](C)C)CCC1 ZINC000302493119 382258455 /nfs/dbraw/zinc/25/84/55/382258455.db2.gz KXEPQXICDPQFGP-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1cccc(N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000302521511 382262843 /nfs/dbraw/zinc/26/28/43/382262843.db2.gz XXABGNYNTWKTAA-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1c(F)cccc1[N+](=O)[O-] ZINC000420289552 382344204 /nfs/dbraw/zinc/34/42/04/382344204.db2.gz TYAKUVQVDMROOY-HMKSTLMESA-N 1 0 279.315 2.662 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000357759591 382308228 /nfs/dbraw/zinc/30/82/28/382308228.db2.gz NLAXLZNIDQCUQF-OAHLLOKOSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352400282 382309030 /nfs/dbraw/zinc/30/90/30/382309030.db2.gz QZDAYCBIAQHBDI-GFCCVEGCSA-N 1 0 264.325 2.978 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)c(Cl)c1 ZINC000302775472 382315193 /nfs/dbraw/zinc/31/51/93/382315193.db2.gz OONDRWORAJCKJN-UHFFFAOYSA-N 1 0 281.743 2.533 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352424724 382325747 /nfs/dbraw/zinc/32/57/47/382325747.db2.gz HHBNLCFGNHVTPC-UHFFFAOYSA-N 1 0 296.367 2.852 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2(CCO)CC2)cccc1[N+](=O)[O-] ZINC000188052022 382333331 /nfs/dbraw/zinc/33/33/31/382333331.db2.gz YOUZYONGSABMFX-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925723 382300328 /nfs/dbraw/zinc/30/03/28/382300328.db2.gz PFXLTWWJRRRVBL-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO [NH3+]C[C@H](NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420356239 382380497 /nfs/dbraw/zinc/38/04/97/382380497.db2.gz GHHQATGVEWNNJO-AWEZNQCLSA-N 1 0 277.368 2.592 20 5 CFBDRO Cc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352549727 382393024 /nfs/dbraw/zinc/39/30/24/382393024.db2.gz GIHCKBRIAMJBSQ-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000378268557 382426788 /nfs/dbraw/zinc/42/67/88/382426788.db2.gz FXMITENVLNGFKD-QGZVFWFLSA-N 1 0 297.358 2.871 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000358000479 382404351 /nfs/dbraw/zinc/40/43/51/382404351.db2.gz BNDUAUIMVSLTOC-AWEZNQCLSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352671014 382446543 /nfs/dbraw/zinc/44/65/43/382446543.db2.gz HOUJBGJVGPAXBJ-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000294075421 382405654 /nfs/dbraw/zinc/40/56/54/382405654.db2.gz IAXDCACREMLTNW-ZDUSSCGKSA-N 1 0 264.325 2.560 20 5 CFBDRO CC(C)=CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188452639 382416785 /nfs/dbraw/zinc/41/67/85/382416785.db2.gz VOEAWQUPRLUUKM-LBPRGKRZSA-N 1 0 291.351 2.868 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000308401383 382474971 /nfs/dbraw/zinc/47/49/71/382474971.db2.gz WUMLCUDTWPSVLL-KGLIPLIRSA-N 1 0 276.336 2.642 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000308381983 382475504 /nfs/dbraw/zinc/47/55/04/382475504.db2.gz XFCVLBYEDZMYRI-LSDHHAIUSA-N 1 0 290.363 2.950 20 5 CFBDRO CC(C)(CN1CCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000308631996 382481627 /nfs/dbraw/zinc/48/16/27/382481627.db2.gz DLGYCXZKPACMIE-UHFFFAOYSA-N 1 0 291.395 2.601 20 5 CFBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000420995390 382503452 /nfs/dbraw/zinc/50/34/52/382503452.db2.gz HXXDMXFVFKOSEQ-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294317176 382508069 /nfs/dbraw/zinc/50/80/69/382508069.db2.gz OEHBYKDOWXPKPJ-GVXVVHGQSA-N 1 0 293.367 2.500 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649738 382538206 /nfs/dbraw/zinc/53/82/06/382538206.db2.gz DAIWJSRCJYKJBB-HUUCEWRRSA-N 1 0 290.363 2.762 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358297993 382554938 /nfs/dbraw/zinc/55/49/38/382554938.db2.gz LWLNVRUYFJVRLK-OCCSQVGLSA-N 1 0 298.408 2.750 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000295006708 382561076 /nfs/dbraw/zinc/56/10/76/382561076.db2.gz IZEMNUGGXMZPPI-NSHDSACASA-N 1 0 282.365 2.541 20 5 CFBDRO COCCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000358317917 382565988 /nfs/dbraw/zinc/56/59/88/382565988.db2.gz BBJFNYRYHGRRIO-LLVKDONJSA-N 1 0 266.341 2.808 20 5 CFBDRO CCOc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382486059 382531709 /nfs/dbraw/zinc/53/17/09/382531709.db2.gz ZKDHVBVMGPYSEG-QWRGUYRKSA-N 1 0 279.340 2.675 20 5 CFBDRO CCOc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382486061 382531749 /nfs/dbraw/zinc/53/17/49/382531749.db2.gz ZKDHVBVMGPYSEG-WDEREUQCSA-N 1 0 279.340 2.675 20 5 CFBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000358264932 382534797 /nfs/dbraw/zinc/53/47/97/382534797.db2.gz JGTZJKQZQFIDJJ-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189293653 382583985 /nfs/dbraw/zinc/58/39/85/382583985.db2.gz KQDLEPQEQQLXAH-GUTXKFCHSA-N 1 0 292.379 2.667 20 5 CFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000387633991 382600823 /nfs/dbraw/zinc/60/08/23/382600823.db2.gz GKHWSIWALQQCSL-LBPRGKRZSA-N 1 0 293.367 2.866 20 5 CFBDRO CCC[NH2+][C@H](C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295315693 382615004 /nfs/dbraw/zinc/61/50/04/382615004.db2.gz YQIPKMZNHMBABH-RISCZKNCSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1cc(OCC[C@@H]2CC[NH2+]C2)c(Cl)cc1[N+](=O)[O-] ZINC000396653848 382631481 /nfs/dbraw/zinc/63/14/81/382631481.db2.gz PJHYVBMKUOXHEH-JTQLQIEISA-N 1 0 284.743 2.935 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000190342426 382663016 /nfs/dbraw/zinc/66/30/16/382663016.db2.gz CUULCRBGXPFIST-NFAWXSAZSA-N 1 0 276.336 2.560 20 5 CFBDRO C[C@H]1CSCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190467595 382669789 /nfs/dbraw/zinc/66/97/89/382669789.db2.gz WJTVQJVBVHSHBA-LLVKDONJSA-N 1 0 266.366 2.780 20 5 CFBDRO CO[C@@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191150862 382693342 /nfs/dbraw/zinc/69/33/42/382693342.db2.gz URQHWIREFKXIHI-NSHDSACASA-N 1 0 290.319 2.979 20 5 CFBDRO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193086694 382715430 /nfs/dbraw/zinc/71/54/30/382715430.db2.gz YHBYYDUXXDCJAM-SWLSCSKDSA-N 1 0 294.351 2.789 20 5 CFBDRO CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193594019 382721303 /nfs/dbraw/zinc/72/13/03/382721303.db2.gz ZOHYQVRQMPYQIY-UHFFFAOYSA-N 1 0 267.285 2.735 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214746103 382777065 /nfs/dbraw/zinc/77/70/65/382777065.db2.gz KYBDHPGUTSRXCD-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000218835129 382791088 /nfs/dbraw/zinc/79/10/88/382791088.db2.gz DENPQIKDUAMOII-GFCCVEGCSA-N 1 0 275.352 2.799 20 5 CFBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000220626952 382796928 /nfs/dbraw/zinc/79/69/28/382796928.db2.gz CTAXMTXWWVWICE-JOYOIKCWSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000222470262 382801795 /nfs/dbraw/zinc/80/17/95/382801795.db2.gz VZXGWMZQJKLSRD-UWVGGRQHSA-N 1 0 260.297 2.730 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000222544445 382802176 /nfs/dbraw/zinc/80/21/76/382802176.db2.gz DUKOUDIVKLJCED-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000222535685 382802471 /nfs/dbraw/zinc/80/24/71/382802471.db2.gz DZNZYAGXSFWCKH-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO CO[C@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000224352580 382810761 /nfs/dbraw/zinc/81/07/61/382810761.db2.gz ACWZVVGFAKNFER-SNVBAGLBSA-N 1 0 275.308 2.898 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227504988 382837201 /nfs/dbraw/zinc/83/72/01/382837201.db2.gz FYKBLZCXLDYSTE-OCCSQVGLSA-N 1 0 275.352 2.942 20 5 CFBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227648452 382838985 /nfs/dbraw/zinc/83/89/85/382838985.db2.gz KXOVRARTCHMHDI-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887404 382842057 /nfs/dbraw/zinc/84/20/57/382842057.db2.gz HEOSUGQKFDKTSK-UHFFFAOYSA-N 1 0 287.310 2.873 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000533921408 382912757 /nfs/dbraw/zinc/91/27/57/382912757.db2.gz OZGJKFOHHMDQNW-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000230147713 382856350 /nfs/dbraw/zinc/85/63/50/382856350.db2.gz UFLDGQQJUACQOE-ONGXEEELSA-N 1 0 284.743 2.905 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000577388205 382857248 /nfs/dbraw/zinc/85/72/48/382857248.db2.gz DJWRANOIAGSTBK-AWEZNQCLSA-N 1 0 299.330 2.776 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000230692932 382862434 /nfs/dbraw/zinc/86/24/34/382862434.db2.gz QZLYVHOSWPHJKG-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO CC(C)(C)OCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648899 382866717 /nfs/dbraw/zinc/86/67/17/382866717.db2.gz NMSRHRRPBIEVBS-ZDUSSCGKSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000235509027 382884102 /nfs/dbraw/zinc/88/41/02/382884102.db2.gz MWDFETMFWAIMRF-OUCADQQQSA-N 1 0 278.352 2.715 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000578787459 382955722 /nfs/dbraw/zinc/95/57/22/382955722.db2.gz PMFNDAQUCZSXCX-YOGCLGLASA-N 1 0 291.351 2.641 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000237783639 382971627 /nfs/dbraw/zinc/97/16/27/382971627.db2.gz MZHXGAZMYOFHIZ-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579130398 382986494 /nfs/dbraw/zinc/98/64/94/382986494.db2.gz SGDVPXKZGRKXOL-ZFWWWQNUSA-N 1 0 278.352 2.579 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579130393 382987016 /nfs/dbraw/zinc/98/70/16/382987016.db2.gz SGDVPXKZGRKXOL-DZGCQCFKSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000447801922 383008224 /nfs/dbraw/zinc/00/82/24/383008224.db2.gz FSSITGFYTFTBKJ-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000447815099 383011049 /nfs/dbraw/zinc/01/10/49/383011049.db2.gz BWMKLNNSFRGMNH-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237790824 382971349 /nfs/dbraw/zinc/97/13/49/382971349.db2.gz AQFIUTBYVMRKKX-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000447903692 383028061 /nfs/dbraw/zinc/02/80/61/383028061.db2.gz NZRNGCBWXGFMIF-LBPRGKRZSA-N 1 0 297.424 2.866 20 5 CFBDRO Cc1cccc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000338712018 383029948 /nfs/dbraw/zinc/02/99/48/383029948.db2.gz KRHRRBNDWKCYTP-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000551274998 383038915 /nfs/dbraw/zinc/03/89/15/383038915.db2.gz XUDJZISFHNYJSC-ABAIWWIYSA-N 1 0 278.352 2.979 20 5 CFBDRO CCOc1cccc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338790219 383053266 /nfs/dbraw/zinc/05/32/66/383053266.db2.gz XMBVIGVFTBELRF-RYUDHWBXSA-N 1 0 293.367 2.522 20 5 CFBDRO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717147 383027907 /nfs/dbraw/zinc/02/79/07/383027907.db2.gz HDPXGXJRXNUJBQ-ZFWWWQNUSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000554523280 383139332 /nfs/dbraw/zinc/13/93/32/383139332.db2.gz XTMOPEWHVBMQME-GXFFZTMASA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552575581 383088920 /nfs/dbraw/zinc/08/89/20/383088920.db2.gz CJKSGHISJUEHLO-QEJZJMRPSA-N 1 0 292.379 2.809 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000588550962 383119217 /nfs/dbraw/zinc/11/92/17/383119217.db2.gz DBBKESAONOLNEM-JXINOZIDSA-N 1 0 288.347 2.765 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000449101502 383176296 /nfs/dbraw/zinc/17/62/96/383176296.db2.gz FMTZWWCZJOEBHV-QWHCGFSZSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000449171905 383183057 /nfs/dbraw/zinc/18/30/57/383183057.db2.gz LEPMDNGRTWTEBN-NFAWXSAZSA-N 1 0 291.395 2.598 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449276372 383195577 /nfs/dbraw/zinc/19/55/77/383195577.db2.gz RPQIDHVUCAYGSE-FPMFFAJLSA-N 1 0 278.352 2.683 20 5 CFBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000449279963 383196724 /nfs/dbraw/zinc/19/67/24/383196724.db2.gz UWIQZPINUHQKMC-WFASDCNBSA-N 1 0 294.395 2.911 20 5 CFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000339457290 383204158 /nfs/dbraw/zinc/20/41/58/383204158.db2.gz CVKIUUOWGNDIGT-QMMMGPOBSA-N 1 0 279.321 2.608 20 5 CFBDRO CC(C)OCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059456 383156139 /nfs/dbraw/zinc/15/61/39/383156139.db2.gz ATWAZSBZRYBSSN-ZDUSSCGKSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000449083172 383168062 /nfs/dbraw/zinc/16/80/62/383168062.db2.gz ATBRAPUVXLCOQA-CHWSQXEVSA-N 1 0 278.352 2.542 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449377855 383247244 /nfs/dbraw/zinc/24/72/44/383247244.db2.gz POJFRMLHWJEISN-AWEZNQCLSA-N 1 0 266.341 2.808 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339581853 383251513 /nfs/dbraw/zinc/25/15/13/383251513.db2.gz DLKJLLBLTLFMRY-NEPJUHHUSA-N 1 0 252.289 2.883 20 5 CFBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339623297 383266044 /nfs/dbraw/zinc/26/60/44/383266044.db2.gz NPNAVCBGTVHEAG-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449417607 383277048 /nfs/dbraw/zinc/27/70/48/383277048.db2.gz ZFRQOMVTFYXFOT-VSKVDJIOSA-N 1 0 276.336 2.765 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000567024671 383234459 /nfs/dbraw/zinc/23/44/59/383234459.db2.gz XHTFGRAXARAHFI-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNc1cc2c(c[nH+]1)CCC2 ZINC000339553366 383240122 /nfs/dbraw/zinc/24/01/22/383240122.db2.gz IJQXEYXHABDLKB-UHFFFAOYSA-N 1 0 283.331 2.821 20 5 CFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[C@H]1O ZINC000249296397 383338402 /nfs/dbraw/zinc/33/84/02/383338402.db2.gz BRTCBZVQDQSGOC-ZIAGYGMSSA-N 1 0 298.770 2.984 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449502552 383339192 /nfs/dbraw/zinc/33/91/92/383339192.db2.gz OSGQDAVYNGLFNG-DOMZBBRYSA-N 1 0 278.352 2.760 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449432741 383291943 /nfs/dbraw/zinc/29/19/43/383291943.db2.gz IXRFMFDOBGVOPT-CHWSQXEVSA-N 1 0 280.368 2.667 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CF)CCOCC1 ZINC000449444984 383297356 /nfs/dbraw/zinc/29/73/56/383297356.db2.gz FLCQBUFDICBTOL-HWKANZROSA-N 1 0 294.326 2.716 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1 ZINC000449467427 383310489 /nfs/dbraw/zinc/31/04/89/383310489.db2.gz JBBFWKPOJJWCMU-UPJWGTAASA-N 1 0 296.392 2.782 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000468606987 383361696 /nfs/dbraw/zinc/36/16/96/383361696.db2.gz ISVHVAOBTRQVJC-LNVAGALZSA-N 1 0 290.363 2.747 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c(Cl)c1 ZINC000250085730 383370353 /nfs/dbraw/zinc/37/03/53/383370353.db2.gz PQNJKKODSXFGOG-IACUBPJLSA-N 1 0 296.754 2.905 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000524619876 383376570 /nfs/dbraw/zinc/37/65/70/383376570.db2.gz MIKORHVDUVQGMA-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000340202705 383380270 /nfs/dbraw/zinc/38/02/70/383380270.db2.gz PCLHQKRYVVRXCO-NHYWBVRUSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000340202706 383380280 /nfs/dbraw/zinc/38/02/80/383380280.db2.gz PCLHQKRYVVRXCO-XHDPSFHLSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000250924027 383383134 /nfs/dbraw/zinc/38/31/34/383383134.db2.gz RKJDNAYOYHRSJP-CORIIIEPSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252732734 383430768 /nfs/dbraw/zinc/43/07/68/383430768.db2.gz WMMKEWHBEPVXKN-YZIJFISFSA-N 1 0 298.408 2.793 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568768274 383436500 /nfs/dbraw/zinc/43/65/00/383436500.db2.gz MCWVXEHWWLNTDO-OOVXXXAESA-N 1 0 290.363 2.985 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252895496 383439664 /nfs/dbraw/zinc/43/96/64/383439664.db2.gz ZCXKVYGJPNEMIY-STQMWFEESA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253086880 383441397 /nfs/dbraw/zinc/44/13/97/383441397.db2.gz CNMHQLKRCVFVQS-BMFZPTHFSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000568879006 383446915 /nfs/dbraw/zinc/44/69/15/383446915.db2.gz DBBGLDUBMLDRKF-OFQRWUPVSA-N 1 0 288.347 2.739 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCCCO)C1CC1 ZINC000255680930 383485210 /nfs/dbraw/zinc/48/52/10/383485210.db2.gz KIVZWZWYHHCAQD-ALCCZGGFSA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428555618 383491286 /nfs/dbraw/zinc/49/12/86/383491286.db2.gz ZADLFJZWQQBPBS-AWEZNQCLSA-N 1 0 298.342 2.866 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cs1 ZINC000428563620 383491655 /nfs/dbraw/zinc/49/16/55/383491655.db2.gz ZTLRJJXSHWDCCA-NSHDSACASA-N 1 0 290.344 2.619 20 5 CFBDRO Cc1nc(CNCc2cccc([N+](=O)[O-])c2C)[nH]c1C ZINC000569470426 383504256 /nfs/dbraw/zinc/50/42/56/383504256.db2.gz BRECBWUUEWLZIL-UHFFFAOYSA-N 1 0 274.324 2.533 20 5 CFBDRO CCOCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569502985 383507391 /nfs/dbraw/zinc/50/73/91/383507391.db2.gz OPCHOPLMTSPEBD-CQSZACIVSA-N 1 0 278.352 2.988 20 5 CFBDRO CC(C)C[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450878098 383531382 /nfs/dbraw/zinc/53/13/82/383531382.db2.gz IQJDSVUXRBOZBS-GFCCVEGCSA-N 1 0 280.372 2.863 20 5 CFBDRO [NH3+]C1(c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)CCC1 ZINC000261636436 383534428 /nfs/dbraw/zinc/53/44/28/383534428.db2.gz CXFYDDGZTVOJGC-UHFFFAOYSA-N 1 0 294.698 2.636 20 5 CFBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(C)cc1 ZINC000341038781 383539193 /nfs/dbraw/zinc/53/91/93/383539193.db2.gz MUHGZPPCGLBCJX-ZDUSSCGKSA-N 1 0 288.351 2.878 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C(C)(C)C ZINC000569807684 383539234 /nfs/dbraw/zinc/53/92/34/383539234.db2.gz MRYGLCJHJCRRKY-UHFFFAOYSA-N 1 0 279.340 2.572 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451321561 383589465 /nfs/dbraw/zinc/58/94/65/383589465.db2.gz CSBAFPSSQFTONJ-LLVKDONJSA-N 1 0 282.365 2.541 20 5 CFBDRO COC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544900 383640999 /nfs/dbraw/zinc/64/09/99/383640999.db2.gz GDQAKYSVDWCZSD-TZMCWYRMSA-N 1 0 278.352 2.809 20 5 CFBDRO C[C@H](O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548469 383642277 /nfs/dbraw/zinc/64/22/77/383642277.db2.gz NMMRYFZUOBHWOP-GXTWGEPZSA-N 1 0 278.352 2.545 20 5 CFBDRO C[C@H](O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553137 383644983 /nfs/dbraw/zinc/64/49/83/383644983.db2.gz XLUNHERPWMSQPK-DZGCQCFKSA-N 1 0 292.379 2.935 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570988683 383653934 /nfs/dbraw/zinc/65/39/34/383653934.db2.gz ZWTUVZXVZWNQPZ-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO CC1=C(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280860638 195005867 /nfs/dbraw/zinc/00/58/67/195005867.db2.gz YSNAPRVANIEOTC-OAHLLOKOSA-N 1 0 276.336 2.670 20 5 CFBDRO Cc1cnc(C)nc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000570582893 383617285 /nfs/dbraw/zinc/61/72/85/383617285.db2.gz MYVMACUUNTZNBC-UHFFFAOYSA-N 1 0 286.335 2.681 20 5 CFBDRO Cc1nc(CNC(C)(C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000570583239 383617765 /nfs/dbraw/zinc/61/77/65/383617765.db2.gz ADCHJXPOSANWSE-UHFFFAOYSA-N 1 0 288.351 2.960 20 5 CFBDRO C[NH2+][C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420248385 533002606 /nfs/dbraw/zinc/00/26/06/533002606.db2.gz VZSLANLKLLAVKD-MRVPVSSYSA-N 1 0 291.273 2.942 20 5 CFBDRO CCN1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453243998 383814369 /nfs/dbraw/zinc/81/43/69/383814369.db2.gz CDTISTKFQFCKBN-TYNCELHUSA-N 1 0 277.368 2.586 20 5 CFBDRO CC[NH2+]CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000572951359 383844475 /nfs/dbraw/zinc/84/44/75/383844475.db2.gz HPAMXYNQCNKAEO-LBPRGKRZSA-N 1 0 265.357 2.553 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@H]12 ZINC000531342500 383853679 /nfs/dbraw/zinc/85/36/79/383853679.db2.gz IAEIXYUACFETIQ-JHJVBQTASA-N 1 0 292.383 2.729 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000453593420 383864846 /nfs/dbraw/zinc/86/48/46/383864846.db2.gz ABSRCMPHEYYPGQ-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000438354548 383990283 /nfs/dbraw/zinc/99/02/83/383990283.db2.gz GJVAFKOTOAOXIE-WOPDTQHZSA-N 1 0 264.325 2.593 20 5 CFBDRO CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983861 383954403 /nfs/dbraw/zinc/95/44/03/383954403.db2.gz CQLYRTRIRNTEKL-CJNGLKHVSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000574234750 384065541 /nfs/dbraw/zinc/06/55/41/384065541.db2.gz XSJIQPNDZHUMEI-DUVNUKRYSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCCF)C2 ZINC000574350944 384083012 /nfs/dbraw/zinc/08/30/12/384083012.db2.gz XUWCLPZUMDFKFO-UHFFFAOYSA-N 1 0 252.289 2.703 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574624103 384123424 /nfs/dbraw/zinc/12/34/24/384123424.db2.gz AWOIXVVWKLFVHV-XJKSGUPXSA-N 1 0 289.379 2.731 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000277193740 384228087 /nfs/dbraw/zinc/22/80/87/384228087.db2.gz MAQCDUYNOYQROR-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO COc1cc(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277256163 384246171 /nfs/dbraw/zinc/24/61/71/384246171.db2.gz WFWMFLRMNCUCCM-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC000277384863 384286128 /nfs/dbraw/zinc/28/61/28/384286128.db2.gz ISENKPKXKJCPIG-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(F)(F)C1 ZINC000277772178 384400503 /nfs/dbraw/zinc/40/05/03/384400503.db2.gz YGYPNBRQQQBNNP-UHFFFAOYSA-N 1 0 286.278 2.881 20 5 CFBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277695280 384378797 /nfs/dbraw/zinc/37/87/97/384378797.db2.gz RATSTRGUIMLCLB-ZDUSSCGKSA-N 1 0 293.367 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000037668372 285114603 /nfs/dbraw/zinc/11/46/03/285114603.db2.gz RBONMHCWEGEHSM-UHFFFAOYSA-N 1 0 252.339 2.580 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000347667931 285112173 /nfs/dbraw/zinc/11/21/73/285112173.db2.gz HLFJRSIMPXSRLH-MRXNPFEDSA-N 1 0 290.363 2.986 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289380722 197320204 /nfs/dbraw/zinc/32/02/04/197320204.db2.gz MMMJPPXGYQLMOB-CCSSQEOUSA-N 1 0 276.336 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1N1CCC([NH+]2CCCC2)CC1 ZINC000302819433 285118177 /nfs/dbraw/zinc/11/81/77/285118177.db2.gz OHFPWMDEQBENJQ-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC[C@H]1C ZINC000278373435 384544714 /nfs/dbraw/zinc/54/47/14/384544714.db2.gz BZMSKBCJLRAHLJ-NFAWXSAZSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888154 384599809 /nfs/dbraw/zinc/59/98/09/384599809.db2.gz YKDGFCAOSWSNDR-WBMJQRKESA-N 1 0 291.395 2.902 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268859124 384677012 /nfs/dbraw/zinc/67/70/12/384677012.db2.gz RDYTWWVYPBGCGH-STQMWFEESA-N 1 0 280.368 2.931 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268859558 384679952 /nfs/dbraw/zinc/67/99/52/384679952.db2.gz FNJBCNRNSUVVPS-ITDIGPHOSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000268932976 384696069 /nfs/dbraw/zinc/69/60/69/384696069.db2.gz SXDYMHHHOFCNBL-JQWIXIFHSA-N 1 0 265.357 2.504 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269362805 384751923 /nfs/dbraw/zinc/75/19/23/384751923.db2.gz JSVAGEBVIICFBA-LDYMZIIASA-N 1 0 296.758 2.538 20 5 CFBDRO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692323 384839220 /nfs/dbraw/zinc/83/92/20/384839220.db2.gz VMBJPYDLRAHVRZ-LSDHHAIUSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000269733093 384854378 /nfs/dbraw/zinc/85/43/78/384854378.db2.gz YQFZHBZEOSOBDP-OAHLLOKOSA-N 1 0 278.352 2.894 20 5 CFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000270187933 385008027 /nfs/dbraw/zinc/00/80/27/385008027.db2.gz WBDHTSOZIKHVEV-HZMBPMFUSA-N 1 0 298.770 2.841 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCSC1 ZINC000289083256 197230238 /nfs/dbraw/zinc/23/02/38/197230238.db2.gz BARBHXKBSAPTPE-GFCCVEGCSA-N 1 0 280.393 2.822 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000282274029 385266399 /nfs/dbraw/zinc/26/63/99/385266399.db2.gz RKBSRBKEVIBMSK-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccsc1 ZINC000282346423 385289491 /nfs/dbraw/zinc/28/94/91/385289491.db2.gz ZXKWAWYEPZKAMW-VIFPVBQESA-N 1 0 298.393 2.828 20 5 CFBDRO C[N@@H+](C/C=C/Cl)CCc1cccc([N+](=O)[O-])c1 ZINC000282538613 385337614 /nfs/dbraw/zinc/33/76/14/385337614.db2.gz VTDPKYQZWAATMZ-XVNBXDOJSA-N 1 0 254.717 2.822 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000271112180 385339912 /nfs/dbraw/zinc/33/99/12/385339912.db2.gz HOTMZZQPPWJJNU-FZMZJTMJSA-N 1 0 296.367 2.661 20 5 CFBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282586152 385346413 /nfs/dbraw/zinc/34/64/13/385346413.db2.gz BWQOAWHLVWDDAF-NSHDSACASA-N 1 0 252.339 2.578 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCO ZINC000271200534 385373727 /nfs/dbraw/zinc/37/37/27/385373727.db2.gz ZDXJWCBTFPDYSJ-RYUDHWBXSA-N 1 0 298.408 2.826 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301342891 285164668 /nfs/dbraw/zinc/16/46/68/285164668.db2.gz IPYQCHOKRZZBNW-IHRRRGAJSA-N 1 0 287.363 2.515 20 5 CFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000283135220 385439619 /nfs/dbraw/zinc/43/96/19/385439619.db2.gz NSBYUTUWCNHHPC-UTUOFQBUSA-N 1 0 294.351 2.833 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(C)(C)O ZINC000272269085 385494604 /nfs/dbraw/zinc/49/46/04/385494604.db2.gz CVPVKGYANFMVDX-LLVKDONJSA-N 1 0 266.341 2.667 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283990558 385521193 /nfs/dbraw/zinc/52/11/93/385521193.db2.gz HIMNBQLCFSCGTD-RKDXNWHRSA-N 1 0 269.370 2.579 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272620763 385577565 /nfs/dbraw/zinc/57/75/65/385577565.db2.gz YHZYIELWWKYJAR-GDBMZVCRSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286137162 385563594 /nfs/dbraw/zinc/56/35/94/385563594.db2.gz MYJAYPRMXKIYOL-BYCMXARLSA-N 1 0 278.352 2.797 20 5 CFBDRO CN(c1c(F)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286498065 385635415 /nfs/dbraw/zinc/63/54/15/385635415.db2.gz WFLQBVNPBJICHT-FOSCPWQOSA-N 1 0 293.342 2.795 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286724538 385695805 /nfs/dbraw/zinc/69/58/05/385695805.db2.gz XJSCNFQLEVVXKC-NILFDRSVSA-N 1 0 278.352 2.809 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@](F)(CO)C1 ZINC000286730796 385696444 /nfs/dbraw/zinc/69/64/44/385696444.db2.gz CXSCVQQAHCZOKY-IUODEOHRSA-N 1 0 296.342 2.761 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154612 385947747 /nfs/dbraw/zinc/94/77/47/385947747.db2.gz QCLPBJJVVCMCPP-XHDPSFHLSA-N 1 0 296.342 2.717 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283584576 195882474 /nfs/dbraw/zinc/88/24/74/195882474.db2.gz RLVKPAVUVFCETC-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414204957 533305758 /nfs/dbraw/zinc/30/57/58/533305758.db2.gz OSQVVESULWGAOL-RYUDHWBXSA-N 1 0 266.341 2.918 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCCO ZINC000471820744 533381447 /nfs/dbraw/zinc/38/14/47/533381447.db2.gz IBHZVXZGSIAJSC-RAXLEYEMSA-N 1 0 278.352 2.702 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC1(C)C ZINC000414226009 533445558 /nfs/dbraw/zinc/44/55/58/533445558.db2.gz UWBVLZHWZJIOAK-GWCFXTLKSA-N 1 0 291.351 2.700 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000355364633 130293235 /nfs/dbraw/zinc/29/32/35/130293235.db2.gz IJTSXTOKQYCMBJ-ZLKJLUDKSA-N 1 0 278.352 2.744 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000219919415 130777867 /nfs/dbraw/zinc/77/78/67/130777867.db2.gz WIFBGZJWWRZPFV-BXKDBHETSA-N 1 0 284.743 2.905 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000180423910 393481695 /nfs/dbraw/zinc/48/16/95/393481695.db2.gz LIANAGVWTFSLFQ-ZDUSSCGKSA-N 1 0 293.367 2.637 20 5 CFBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000180449611 393482506 /nfs/dbraw/zinc/48/25/06/393482506.db2.gz QUWFRLOYLPXWCO-SNVBAGLBSA-N 1 0 274.324 2.520 20 5 CFBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000302137572 393490093 /nfs/dbraw/zinc/49/00/93/393490093.db2.gz NHQZKHZOBCOWKG-UHFFFAOYSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190643330 393582610 /nfs/dbraw/zinc/58/26/10/393582610.db2.gz AJTRZVURPWPLKW-CQSZACIVSA-N 1 0 294.351 2.789 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000049568938 393612746 /nfs/dbraw/zinc/61/27/46/393612746.db2.gz KDFLBEGQSNNZFR-ZIAGYGMSSA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]Cc2ccccc21 ZINC000062818121 393628457 /nfs/dbraw/zinc/62/84/57/393628457.db2.gz GHHWEHJFLKQRFL-UHFFFAOYSA-N 1 0 283.331 2.705 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192796040 393632296 /nfs/dbraw/zinc/63/22/96/393632296.db2.gz YKHARJLTMKYDSY-IAQYHMDHSA-N 1 0 278.352 2.987 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCO[C@H](C2CCC2)C1 ZINC000411839847 393753813 /nfs/dbraw/zinc/75/38/13/393753813.db2.gz CTUKVSNEVZKCGI-HNNXBMFYSA-N 1 0 276.336 2.596 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000231080479 393780216 /nfs/dbraw/zinc/78/02/16/393780216.db2.gz QUZUSKLNFRVRDQ-CYBMUJFWSA-N 1 0 284.331 2.621 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1O ZINC000424192216 393792975 /nfs/dbraw/zinc/79/29/75/393792975.db2.gz IUKZSUGJOAXRNZ-NWDGAFQWSA-N 1 0 292.335 2.587 20 5 CFBDRO CC(C)C[C@@H]([NH3+])CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414677597 393801910 /nfs/dbraw/zinc/80/19/10/393801910.db2.gz PCKTXTYDWIZDSC-CQSZACIVSA-N 1 0 291.395 2.933 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000246384468 393864489 /nfs/dbraw/zinc/86/44/89/393864489.db2.gz KHPNBBMBYVTYJS-ZKYQVNSYSA-N 1 0 294.351 2.558 20 5 CFBDRO CCOCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470212196 393899233 /nfs/dbraw/zinc/89/92/33/393899233.db2.gz RKPNXIMDZDQVBN-JLHYYAGUSA-N 1 0 278.352 2.966 20 5 CFBDRO CC(C)(C)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000341900987 393859143 /nfs/dbraw/zinc/85/91/43/393859143.db2.gz JPGSDNNBTYKXOT-UHFFFAOYSA-N 1 0 263.341 2.784 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471805144 393917706 /nfs/dbraw/zinc/91/77/06/393917706.db2.gz PQSNGQQNHDWWFV-WCQYABFASA-N 1 0 278.352 2.673 20 5 CFBDRO C[C@@H](O)[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598062 393936929 /nfs/dbraw/zinc/93/69/29/393936929.db2.gz YCYBHGDDYQAFBT-GHMZBOCLSA-N 1 0 298.770 2.841 20 5 CFBDRO CO[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272296522 394027267 /nfs/dbraw/zinc/02/72/67/394027267.db2.gz HUANZGIUTHYBKQ-AAEUAGOBSA-N 1 0 264.325 2.685 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCS2)c1 ZINC000122047780 393964465 /nfs/dbraw/zinc/96/44/65/393964465.db2.gz CSKHGQYAWGEQIY-GFCCVEGCSA-N 1 0 252.339 2.580 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000430213250 393969177 /nfs/dbraw/zinc/96/91/77/393969177.db2.gz SMEQREBGEGKLPR-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000430225466 393970542 /nfs/dbraw/zinc/97/05/42/393970542.db2.gz XZOTWRWQZQQGLO-UONOGXRCSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000430225888 393970566 /nfs/dbraw/zinc/97/05/66/393970566.db2.gz ZIOUXRQAMKXUGG-PHIMTYICSA-N 1 0 264.325 2.976 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430226126 393970621 /nfs/dbraw/zinc/97/06/21/393970621.db2.gz MACFFQCGOCITTI-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128821 393976083 /nfs/dbraw/zinc/97/60/83/393976083.db2.gz WWMWOOSYSXACEW-JSGCOSHPSA-N 1 0 280.372 2.692 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000267474166 393987317 /nfs/dbraw/zinc/98/73/17/393987317.db2.gz YWALOJVIYOBLHZ-SMDDNHRTSA-N 1 0 266.341 2.916 20 5 CFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269002878 393998672 /nfs/dbraw/zinc/99/86/72/393998672.db2.gz KGXQGVVOHHVJCZ-UHIISALHSA-N 1 0 298.408 2.666 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C/c2ccncc2)c1 ZINC000487572402 394013287 /nfs/dbraw/zinc/01/32/87/394013287.db2.gz LFMPYGBKNYCFPX-DUXPYHPUSA-N 1 0 283.331 2.835 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420234962 394101489 /nfs/dbraw/zinc/10/14/89/394101489.db2.gz HWKDCDLIBLSQCD-WDEREUQCSA-N 1 0 286.335 2.825 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000277239128 394054482 /nfs/dbraw/zinc/05/44/82/394054482.db2.gz UMTNNGPTTPEXGG-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO CC(C)(O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278660567 394062191 /nfs/dbraw/zinc/06/21/91/394062191.db2.gz IRZMMGAMCYDMHA-AWEZNQCLSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@H](O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279036507 394065240 /nfs/dbraw/zinc/06/52/40/394065240.db2.gz IYVQFIFOQZYUEF-IINYFYTJSA-N 1 0 278.352 2.678 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000438357405 394079621 /nfs/dbraw/zinc/07/96/21/394079621.db2.gz XDJRAYKRGRRQBQ-XQQFMLRXSA-N 1 0 278.352 2.901 20 5 CFBDRO COc1cc(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281840637 394081444 /nfs/dbraw/zinc/08/14/44/394081444.db2.gz LOGYPAWQZMIGFZ-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000133449283 394176688 /nfs/dbraw/zinc/17/66/88/394176688.db2.gz GMZRIGUYJJNEDJ-CZUORRHYSA-N 1 0 289.379 2.824 20 5 CFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000420274814 394112824 /nfs/dbraw/zinc/11/28/24/394112824.db2.gz KFNGJWRTVZUFRP-CYBMUJFWSA-N 1 0 286.335 2.664 20 5 CFBDRO CN(CCOCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000130866592 394120336 /nfs/dbraw/zinc/12/03/36/394120336.db2.gz YNGUWHXNCNEMHZ-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO CC1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284304237 394136198 /nfs/dbraw/zinc/13/61/98/394136198.db2.gz ZIKILKAPJUFDCX-UHFFFAOYSA-N 1 0 279.296 2.877 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000131608777 394136524 /nfs/dbraw/zinc/13/65/24/394136524.db2.gz LAVNFBBQBUCONM-JTQLQIEISA-N 1 0 279.315 2.630 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049831 394144542 /nfs/dbraw/zinc/14/45/42/394144542.db2.gz HFNIZXFLBUITFT-QWRGUYRKSA-N 1 0 281.331 2.571 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360081331 394145678 /nfs/dbraw/zinc/14/56/78/394145678.db2.gz DYXBILBXHJKJRM-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H]3C[C@@H](O)C3)C2)cc1 ZINC000420982298 394146958 /nfs/dbraw/zinc/14/69/58/394146958.db2.gz ZMRRQPKCKRYTHE-DUVNUKRYSA-N 1 0 290.363 2.545 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449141580 394228144 /nfs/dbraw/zinc/22/81/44/394228144.db2.gz FBHPNHGCZAEHAC-SLEUVZQESA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(C)(C)C ZINC000449145762 394229069 /nfs/dbraw/zinc/22/90/69/394229069.db2.gz LWIISNPAKHDNTL-BXUZGUMPSA-N 1 0 280.368 2.522 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157855 394233959 /nfs/dbraw/zinc/23/39/59/394233959.db2.gz WPLVUQUCIDQZRP-IUODEOHRSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164983 394236969 /nfs/dbraw/zinc/23/69/69/394236969.db2.gz SFPWHXHZMZPSEH-AVGNSLFASA-N 1 0 280.368 2.522 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177335 394242193 /nfs/dbraw/zinc/24/21/93/394242193.db2.gz SECSDFHQESQGLE-UMVBOHGHSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449185690 394245806 /nfs/dbraw/zinc/24/58/06/394245806.db2.gz JLTRUSAMBLSCCN-YDHLFZDLSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000449194197 394248617 /nfs/dbraw/zinc/24/86/17/394248617.db2.gz OWKFTXDCZFMUJN-DOMZBBRYSA-N 1 0 278.352 2.685 20 5 CFBDRO COCCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449197154 394249742 /nfs/dbraw/zinc/24/97/42/394249742.db2.gz USZIYARVGVLAPR-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423260223 394275020 /nfs/dbraw/zinc/27/50/20/394275020.db2.gz GZHRGHNTUMMYEX-JSGCOSHPSA-N 1 0 279.384 2.927 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270053 394275588 /nfs/dbraw/zinc/27/55/88/394275588.db2.gz WKERBAJYKDCYDQ-AAEUAGOBSA-N 1 0 265.357 2.619 20 5 CFBDRO CC1(C)C[C@H](NCC2([NH3+])CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000423336102 394277714 /nfs/dbraw/zinc/27/77/14/394277714.db2.gz UQWVEBFWBQRWJT-AWEZNQCLSA-N 1 0 289.379 2.788 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153578764 394286590 /nfs/dbraw/zinc/28/65/90/394286590.db2.gz DTUDKWVLKFTACE-VIFPVBQESA-N 1 0 286.763 2.785 20 5 CFBDRO Cc1cccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450548527 394295106 /nfs/dbraw/zinc/29/51/06/394295106.db2.gz SISFTQNCWBLXMU-GFCCVEGCSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000154381599 394296399 /nfs/dbraw/zinc/29/63/99/394296399.db2.gz VXFKSIPSDGEBRY-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO Cc1c([C@@H](C)N[C@@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423551018 394296649 /nfs/dbraw/zinc/29/66/49/394296649.db2.gz JDZMBUNOJXWRPD-CHWSQXEVSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000450861065 394342264 /nfs/dbraw/zinc/34/22/64/394342264.db2.gz PHUVJJOAYDUDKZ-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000494250625 394346446 /nfs/dbraw/zinc/34/64/46/394346446.db2.gz KCQUKKVUXUIEEX-WFASDCNBSA-N 1 0 294.351 2.521 20 5 CFBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000170819815 394371764 /nfs/dbraw/zinc/37/17/64/394371764.db2.gz OOFFSOVFFSDWSI-FZMZJTMJSA-N 1 0 264.325 2.767 20 5 CFBDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451287502 394373376 /nfs/dbraw/zinc/37/33/76/394373376.db2.gz GDTKLAKHXYUDJR-AWEZNQCLSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878494 394379885 /nfs/dbraw/zinc/37/98/85/394379885.db2.gz JRXKHZVGCSLYDF-GXTWGEPZSA-N 1 0 280.372 2.692 20 5 CFBDRO O=[N+]([O-])c1cc(CNCCC[NH+]2CCCCC2)cs1 ZINC000037562593 296498522 /nfs/dbraw/zinc/49/85/22/296498522.db2.gz NEVHZXSZXFNGCE-UHFFFAOYSA-N 1 0 283.397 2.622 20 5 CFBDRO COCC1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537448318 394582298 /nfs/dbraw/zinc/58/22/98/394582298.db2.gz AQIOHPNFOOMIKL-LLVKDONJSA-N 1 0 264.325 2.733 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000535804323 394546985 /nfs/dbraw/zinc/54/69/85/394546985.db2.gz NCLJBICUUKAYEK-GQCTYLIASA-N 1 0 276.336 2.719 20 5 CFBDRO COCC1([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000538550000 394605510 /nfs/dbraw/zinc/60/55/10/394605510.db2.gz QFYUZJKRLVWYJI-LLVKDONJSA-N 1 0 264.325 2.733 20 5 CFBDRO COC(C)(C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538828012 394617210 /nfs/dbraw/zinc/61/72/10/394617210.db2.gz FOAMZKATIZIDOE-CLFYSBASSA-N 1 0 278.352 2.965 20 5 CFBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539086782 394622156 /nfs/dbraw/zinc/62/21/56/394622156.db2.gz LVMIHYNJNVOFMI-QWHCGFSZSA-N 1 0 296.367 2.605 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000539438369 394626333 /nfs/dbraw/zinc/62/63/33/394626333.db2.gz BIYBFEIJSVJWCK-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO COc1cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000539809104 394634754 /nfs/dbraw/zinc/63/47/54/394634754.db2.gz KEYRWVBOHYKLHK-GHMZBOCLSA-N 1 0 296.392 2.929 20 5 CFBDRO CCOc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000547769050 394888192 /nfs/dbraw/zinc/88/81/92/394888192.db2.gz ISDXMGLNAYFPGK-PHIMTYICSA-N 1 0 264.325 2.976 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)C[C@@H]1C ZINC000547770321 394889320 /nfs/dbraw/zinc/88/93/20/394889320.db2.gz JAXJENLRVLBPMR-TXEJJXNPSA-N 1 0 291.351 2.715 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000556954042 395026569 /nfs/dbraw/zinc/02/65/69/395026569.db2.gz QAGCFGNQVMVZCW-VFADXPBXSA-N 1 0 289.379 2.634 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000227033684 397623796 /nfs/dbraw/zinc/62/37/96/397623796.db2.gz OYHGDRURNKRVDU-JTNHKYCSSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc(C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000356357459 155238252 /nfs/dbraw/zinc/23/82/52/155238252.db2.gz FYEPFMIXNNHPGG-SWLSCSKDSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909989 292295527 /nfs/dbraw/zinc/29/55/27/292295527.db2.gz MMYXBSQYHJRELQ-WBMJQRKESA-N 1 0 290.363 2.811 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348114277 154325737 /nfs/dbraw/zinc/32/57/37/154325737.db2.gz GOFZWEJWNNGGQC-GJZGRUSLSA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348114275 154325873 /nfs/dbraw/zinc/32/58/73/154325873.db2.gz GOFZWEJWNNGGQC-CABCVRRESA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348114282 154326184 /nfs/dbraw/zinc/32/61/84/154326184.db2.gz GOFZWEJWNNGGQC-HUUCEWRRSA-N 1 0 260.337 2.916 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCCO1 ZINC000348283863 154394477 /nfs/dbraw/zinc/39/44/77/154394477.db2.gz YYKSDVVJHIVCFZ-OCCSQVGLSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000355600900 155051669 /nfs/dbraw/zinc/05/16/69/155051669.db2.gz REAXGSXDZBDDHD-GHMZBOCLSA-N 1 0 294.351 2.835 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355746910 155074909 /nfs/dbraw/zinc/07/49/09/155074909.db2.gz WPYDAGABMPPYLO-AAEUAGOBSA-N 1 0 294.351 2.508 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355746914 155075029 /nfs/dbraw/zinc/07/50/29/155075029.db2.gz WPYDAGABMPPYLO-YPMHNXCESA-N 1 0 294.351 2.508 20 5 CFBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358275961 155701168 /nfs/dbraw/zinc/70/11/68/155701168.db2.gz PKFOTOBTDNLXFL-LBPRGKRZSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)c1 ZINC000358686025 155844287 /nfs/dbraw/zinc/84/42/87/155844287.db2.gz SHIZESHVPPFBBG-UHFFFAOYSA-N 1 0 277.368 2.825 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000367048962 156271460 /nfs/dbraw/zinc/27/14/60/156271460.db2.gz AVPPFLNINXMPNJ-OAHLLOKOSA-N 1 0 290.363 2.686 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367165702 156291099 /nfs/dbraw/zinc/29/10/99/156291099.db2.gz PGKLYIUQQVTSNA-OAHLLOKOSA-N 1 0 298.346 2.776 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000373759367 157029181 /nfs/dbraw/zinc/02/91/81/157029181.db2.gz HVFBZFSOFGMZQS-GFCCVEGCSA-N 1 0 276.336 2.835 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000374675977 157147101 /nfs/dbraw/zinc/14/71/01/157147101.db2.gz GHHNHXPLJULFMY-ZDUSSCGKSA-N 1 0 282.315 2.735 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000375320522 157226169 /nfs/dbraw/zinc/22/61/69/157226169.db2.gz NUMTWBKKJBCENB-MRXNPFEDSA-N 1 0 290.363 2.906 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000376064901 157319782 /nfs/dbraw/zinc/31/97/82/157319782.db2.gz CZZWYZWUYCMJSL-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000340623720 161600096 /nfs/dbraw/zinc/60/00/96/161600096.db2.gz PDBFHIWGNIUDGR-NSHDSACASA-N 1 0 264.325 2.551 20 5 CFBDRO CCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000341724562 161607570 /nfs/dbraw/zinc/60/75/70/161607570.db2.gz YPGAVLMGOHMBDJ-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344416669 162040814 /nfs/dbraw/zinc/04/08/14/162040814.db2.gz JLYZVSGCSYSCLB-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCOCC1 ZINC000344797502 162125136 /nfs/dbraw/zinc/12/51/36/162125136.db2.gz WROGNSZSFLFUDH-FMIVXFBMSA-N 1 0 276.336 2.767 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N(C)C ZINC000344820797 162128114 /nfs/dbraw/zinc/12/81/14/162128114.db2.gz HQLVUZGPRYDOAC-YQCJOKCJSA-N 1 0 277.368 2.538 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCOC1 ZINC000344819619 162128378 /nfs/dbraw/zinc/12/83/78/162128378.db2.gz GRMNQMRUKBZGBS-YRBHFNIASA-N 1 0 276.336 2.624 20 5 CFBDRO COC[C@@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344875715 162140003 /nfs/dbraw/zinc/14/00/03/162140003.db2.gz OIOUJCSSCCNACR-OTAKNEKHSA-N 1 0 278.352 2.870 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]c3ncccc23)c1 ZINC000344890438 162142870 /nfs/dbraw/zinc/14/28/70/162142870.db2.gz QGSOROCTJBKPDV-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2SC)cc1[N+](=O)[O-] ZINC000344957815 162152905 /nfs/dbraw/zinc/15/29/05/162152905.db2.gz PVEHQQWXSUAUNV-GXFFZTMASA-N 1 0 282.365 2.587 20 5 CFBDRO CC[C@@H](O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000345042104 162166548 /nfs/dbraw/zinc/16/65/48/162166548.db2.gz XXHPNFWDHBHIEZ-HMVFGEFZSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000346334630 162385947 /nfs/dbraw/zinc/38/59/47/162385947.db2.gz KRVRIEHKDIKUHE-UHFFFAOYSA-N 1 0 252.314 2.706 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCOC1 ZINC000346868072 162542419 /nfs/dbraw/zinc/54/24/19/162542419.db2.gz QWPNONWCBFGVEA-KGLIPLIRSA-N 1 0 292.379 2.932 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1CC(O)C1 ZINC000347387447 162677809 /nfs/dbraw/zinc/67/78/09/162677809.db2.gz ZRRCTPGWSYASCH-WUXMJOGZSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000349859614 163027331 /nfs/dbraw/zinc/02/73/31/163027331.db2.gz AXNLPIGEESFFLD-VURMDHGXSA-N 1 0 264.325 2.576 20 5 CFBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000350353379 163074320 /nfs/dbraw/zinc/07/43/20/163074320.db2.gz JYCNCAXLQMLBRI-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@H](F)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351879729 163210903 /nfs/dbraw/zinc/21/09/03/163210903.db2.gz UTEYIWZSSPJUCO-JTQLQIEISA-N 1 0 252.289 2.701 20 5 CFBDRO CCc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000352761083 163228362 /nfs/dbraw/zinc/22/83/62/163228362.db2.gz UCXXQJLWIBFZNN-UHFFFAOYSA-N 1 0 285.347 2.885 20 5 CFBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000352780018 163233233 /nfs/dbraw/zinc/23/32/33/163233233.db2.gz RCBSEGAKFVBUES-LALPHHSUSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000352795777 163237339 /nfs/dbraw/zinc/23/73/39/163237339.db2.gz FJFOBWWJNIZISB-KWQFWETISA-N 1 0 270.329 2.575 20 5 CFBDRO Cc1cc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])on1 ZINC000353083508 163303703 /nfs/dbraw/zinc/30/37/03/163303703.db2.gz HMSIGNRLORXKTB-XQRVVYSFSA-N 1 0 287.319 2.737 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353117449 163309221 /nfs/dbraw/zinc/30/92/21/163309221.db2.gz MMCVCAAQJOFQPP-IUCKJTJTSA-N 1 0 291.395 2.926 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353117459 163309457 /nfs/dbraw/zinc/30/94/57/163309457.db2.gz MMCVCAAQJOFQPP-LEJCZOIISA-N 1 0 291.395 2.926 20 5 CFBDRO CC(C)[C@@](C)(CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353238141 163324681 /nfs/dbraw/zinc/32/46/81/163324681.db2.gz GLQRJCDEOCOZIT-DDJMYBDESA-N 1 0 278.352 2.605 20 5 CFBDRO CCc1nocc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000353360770 163351089 /nfs/dbraw/zinc/35/10/89/163351089.db2.gz LSLAZBGEQKKRER-UHFFFAOYSA-N 1 0 289.335 2.820 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCC1 ZINC000353492762 163379092 /nfs/dbraw/zinc/37/90/92/163379092.db2.gz VCBSEFBYCRLITO-LLVKDONJSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1(O)CCC1)CCC2 ZINC000284480845 196065703 /nfs/dbraw/zinc/06/57/03/196065703.db2.gz WKPFOTQHKGDCFM-HNNXBMFYSA-N 1 0 290.363 2.867 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126022 171009583 /nfs/dbraw/zinc/00/95/83/171009583.db2.gz LHGLTUTUVDWQHT-LLVKDONJSA-N 1 0 265.357 2.586 20 5 CFBDRO O=[N+]([O-])c1cccc(CNCCC[NH+]2CCCCC2)c1 ZINC000020128862 171016173 /nfs/dbraw/zinc/01/61/73/171016173.db2.gz YTPHUEMTSOGKDF-UHFFFAOYSA-N 1 0 277.368 2.560 20 5 CFBDRO CC(C)[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020189407 171056011 /nfs/dbraw/zinc/05/60/11/171056011.db2.gz GJVZXTJEYSZJPQ-UHFFFAOYSA-N 1 0 277.368 2.557 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284879799 196149253 /nfs/dbraw/zinc/14/92/53/196149253.db2.gz BJDYSYBSKODTQW-YPMHNXCESA-N 1 0 293.367 2.787 20 5 CFBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)O ZINC000284972166 196167401 /nfs/dbraw/zinc/16/74/01/196167401.db2.gz FUJLIGZQMMDMLZ-HZMBPMFUSA-N 1 0 295.383 2.623 20 5 CFBDRO C[C@@H](c1cnccn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285177024 196214682 /nfs/dbraw/zinc/21/46/82/196214682.db2.gz BMPUFFMMBJXJGZ-LBPRGKRZSA-N 1 0 286.335 2.620 20 5 CFBDRO C[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000037247442 173060371 /nfs/dbraw/zinc/06/03/71/173060371.db2.gz RNCLYOODFMMFPR-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO CCC[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285720781 196377691 /nfs/dbraw/zinc/37/76/91/196377691.db2.gz WWYBIXMXBCNQMX-HNNXBMFYSA-N 1 0 294.351 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000038079323 174089398 /nfs/dbraw/zinc/08/93/98/174089398.db2.gz AINRBZNVXVEXMS-UHFFFAOYSA-N 1 0 250.298 2.506 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000038079448 174089566 /nfs/dbraw/zinc/08/95/66/174089566.db2.gz GCMMJHKKPRHLKR-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000038089192 174102603 /nfs/dbraw/zinc/10/26/03/174102603.db2.gz GQDYXFLVHZJMCI-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038096090 174110233 /nfs/dbraw/zinc/11/02/33/174110233.db2.gz PASOHIXOLGPEAZ-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO C[NH2+]C[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040591662 174347099 /nfs/dbraw/zinc/34/70/99/174347099.db2.gz CDGRZZRXQWLNKG-CHWSQXEVSA-N 1 0 277.368 2.587 20 5 CFBDRO C[C@H]1CCC[C@](CNc2ncccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670044 174368330 /nfs/dbraw/zinc/36/83/30/174368330.db2.gz TZUXGJAURKKOBV-WFASDCNBSA-N 1 0 292.383 2.912 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676003 174373810 /nfs/dbraw/zinc/37/38/10/174373810.db2.gz LAJWUINOURYSRJ-GJZGRUSLSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCCCCC2)cc1 ZINC000040676052 174373951 /nfs/dbraw/zinc/37/39/51/174373951.db2.gz XSEUJOYCCPYPJA-UHFFFAOYSA-N 1 0 292.379 2.812 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000044572480 175209978 /nfs/dbraw/zinc/20/99/78/175209978.db2.gz SPIVOUCDBZGBFC-NSHDSACASA-N 1 0 251.330 2.737 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000044572635 175210387 /nfs/dbraw/zinc/21/03/87/175210387.db2.gz JIOVOPYTOVMKHG-LLVKDONJSA-N 1 0 267.304 2.629 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685657 175231370 /nfs/dbraw/zinc/23/13/70/175231370.db2.gz QCOKYXGFTLCVNE-CZUORRHYSA-N 1 0 289.379 2.872 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c2cccnc21 ZINC000048372059 175431173 /nfs/dbraw/zinc/43/11/73/175431173.db2.gz HLEURHMFFXMFGH-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081709347 292625234 /nfs/dbraw/zinc/62/52/34/292625234.db2.gz SDUGRDKBLPYWEW-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000323028082 260122719 /nfs/dbraw/zinc/12/27/19/260122719.db2.gz LIKCKZAZSYRLIB-CYBMUJFWSA-N 1 0 270.304 2.639 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000313154984 260253835 /nfs/dbraw/zinc/25/38/35/260253835.db2.gz NBGVKAJFCJMQAU-JSGCOSHPSA-N 1 0 266.341 2.542 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000313174267 260255578 /nfs/dbraw/zinc/25/55/78/260255578.db2.gz XYSMCODHXLLAAF-HONMWMINSA-N 1 0 266.341 2.795 20 5 CFBDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000226727308 270256999 /nfs/dbraw/zinc/25/69/99/270256999.db2.gz IUUSFSLWWXWQGM-MELADBBJSA-N 1 0 278.352 2.795 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)c2cccnc21 ZINC000392849913 270306500 /nfs/dbraw/zinc/30/65/00/270306500.db2.gz WLZDWOCXIVLPSD-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO C[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000397252864 270316532 /nfs/dbraw/zinc/31/65/32/270316532.db2.gz DDSUUOIYCXFWHE-MDZLAQPJSA-N 1 0 295.358 2.539 20 5 CFBDRO Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397270847 270316617 /nfs/dbraw/zinc/31/66/17/270316617.db2.gz MUNGQJZXXXAOIX-XUJVJEKNSA-N 1 0 291.395 2.708 20 5 CFBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000397252865 270316769 /nfs/dbraw/zinc/31/67/69/270316769.db2.gz DDSUUOIYCXFWHE-NQBHXWOUSA-N 1 0 295.358 2.539 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)CC1CCCC1 ZINC000514825275 270354693 /nfs/dbraw/zinc/35/46/93/270354693.db2.gz PMUIHGHZZCESRZ-OAHLLOKOSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000514799747 270355101 /nfs/dbraw/zinc/35/51/01/270355101.db2.gz XWYKNXIJNYNELN-UKRRQHHQSA-N 1 0 276.336 2.741 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000516062498 270377053 /nfs/dbraw/zinc/37/70/53/270377053.db2.gz ALDAMLDESXDROY-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CC[C@H](C)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000350831089 273742691 /nfs/dbraw/zinc/74/26/91/273742691.db2.gz CLCSOHVYAPUPNO-ZDUSSCGKSA-N 1 0 277.368 2.763 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449195322 274050368 /nfs/dbraw/zinc/05/03/68/274050368.db2.gz UVHLNRKBMHWJPX-FZMZJTMJSA-N 1 0 278.352 2.540 20 5 CFBDRO CO[C@H](C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354368372 274075007 /nfs/dbraw/zinc/07/50/07/274075007.db2.gz OFIBGDKZIBCYKU-CYBMUJFWSA-N 1 0 280.368 2.883 20 5 CFBDRO C[C@@H](CO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347177 274227074 /nfs/dbraw/zinc/22/70/74/274227074.db2.gz WSPADJVPFJAQJC-ABAIWWIYSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163922493 274255601 /nfs/dbraw/zinc/25/56/01/274255601.db2.gz VHMQSIAKGIEFPQ-MNOVXSKESA-N 1 0 274.324 2.740 20 5 CFBDRO C[C@@H]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422638168 274399175 /nfs/dbraw/zinc/39/91/75/274399175.db2.gz PWEXRBGBAVRGCR-GRYCIOLGSA-N 1 0 295.358 2.539 20 5 CFBDRO Cc1cc(N2CC[NH+](C3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000360048933 274706663 /nfs/dbraw/zinc/70/66/63/274706663.db2.gz ZZWQWLOMYQKYQR-UHFFFAOYSA-N 1 0 293.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1=CCOCC1)CCC2 ZINC000453289667 275037736 /nfs/dbraw/zinc/03/77/36/275037736.db2.gz MIMBSHBMZWCOJW-INIZCTEOSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000227649589 275041392 /nfs/dbraw/zinc/04/13/92/275041392.db2.gz VNGDLACPVWKWOZ-NXEZZACHSA-N 1 0 296.758 2.682 20 5 CFBDRO CC(C)C[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459520441 275583952 /nfs/dbraw/zinc/58/39/52/275583952.db2.gz YGUJLRJYDAWBLY-CYBMUJFWSA-N 1 0 292.383 2.546 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000331553039 275861790 /nfs/dbraw/zinc/86/17/90/275861790.db2.gz ISAICLKFMWUAJC-RBSFLKMASA-N 1 0 290.363 2.820 20 5 CFBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282819877 275884596 /nfs/dbraw/zinc/88/45/96/275884596.db2.gz NGEKKIQGNXMOFJ-LLVKDONJSA-N 1 0 252.339 2.578 20 5 CFBDRO CC(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353605787 276053034 /nfs/dbraw/zinc/05/30/34/276053034.db2.gz LXSSAHTYPFOILF-ZDUSSCGKSA-N 1 0 291.395 2.854 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCF)c2cc([N+](=O)[O-])ccc21 ZINC000281098524 276143082 /nfs/dbraw/zinc/14/30/82/276143082.db2.gz QMQAOXMHYQUBFV-GFCCVEGCSA-N 1 0 252.289 2.876 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000345149182 276250972 /nfs/dbraw/zinc/25/09/72/276250972.db2.gz NPYMQCPFZWVVCB-OLZOCXBDSA-N 1 0 277.368 2.822 20 5 CFBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC000265979058 276256105 /nfs/dbraw/zinc/25/61/05/276256105.db2.gz ASGBEFDHYONESI-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000362975571 276561956 /nfs/dbraw/zinc/56/19/56/276561956.db2.gz GCFDCEHTHHQKRR-FZMZJTMJSA-N 1 0 266.341 2.746 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000286316195 277084541 /nfs/dbraw/zinc/08/45/41/277084541.db2.gz UJMPNCBNNMFHSL-WCQYABFASA-N 1 0 293.342 2.654 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293821921 277730078 /nfs/dbraw/zinc/73/00/78/277730078.db2.gz WLIAWPHWUSRHSR-QMTHXVAHSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H](CSCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000358777262 278294185 /nfs/dbraw/zinc/29/41/85/278294185.db2.gz FCAXPDVDNZMLIT-JTQLQIEISA-N 1 0 254.355 2.778 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131085041 278353179 /nfs/dbraw/zinc/35/31/79/278353179.db2.gz CVOUJDQDKDAUOT-NWDGAFQWSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453289092 278369049 /nfs/dbraw/zinc/36/90/49/278369049.db2.gz HWSHESZZXNRLIC-RAIGVLPGSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCOCC1 ZINC000449190263 279382021 /nfs/dbraw/zinc/38/20/21/279382021.db2.gz QMJZKJRZHHURHL-OLZOCXBDSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000449269060 279382431 /nfs/dbraw/zinc/38/24/31/279382431.db2.gz LMNCKRLCWPTZPO-UZMCECQYSA-N 1 0 290.363 2.683 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000251278638 279505098 /nfs/dbraw/zinc/50/50/98/279505098.db2.gz QMQHVVCERYEGDL-ZKYQVNSYSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000286419761 280115644 /nfs/dbraw/zinc/11/56/44/280115644.db2.gz MXYXUPWVRCANRH-SWLSCSKDSA-N 1 0 275.352 2.658 20 5 CFBDRO Cc1cc(N[C@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000073000343 280631470 /nfs/dbraw/zinc/63/14/70/280631470.db2.gz MOZCKCXKVKIIFX-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189930787 280881563 /nfs/dbraw/zinc/88/15/63/280881563.db2.gz YDNGIHPMDBMUSM-IUODEOHRSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420290287 281021112 /nfs/dbraw/zinc/02/11/12/281021112.db2.gz LTIODRIFJPECIV-TYNCELHUSA-N 1 0 277.368 2.633 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccccc1[N+](=O)[O-] ZINC000450827477 288285768 /nfs/dbraw/zinc/28/57/68/288285768.db2.gz HYUFLEQJXZWFIS-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCC[C@H](C)C1 ZINC000249626029 281064742 /nfs/dbraw/zinc/06/47/42/281064742.db2.gz UANOCNMNCUFWIZ-VHSXEESVSA-N 1 0 284.385 2.584 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000252729027 281077131 /nfs/dbraw/zinc/07/71/31/281077131.db2.gz DWCWLLITKXACDP-JKOKRWQUSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305672118 281154702 /nfs/dbraw/zinc/15/47/02/281154702.db2.gz XMNZKKZYUMIGMW-DYEKYZERSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396801655 281197805 /nfs/dbraw/zinc/19/78/05/281197805.db2.gz JEHRBDYWTHNUKK-ZYHUDNBSSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292696615 281229201 /nfs/dbraw/zinc/22/92/01/281229201.db2.gz FUIHSKCFJHSJKI-INIZCTEOSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1cccc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302511786 281229720 /nfs/dbraw/zinc/22/97/20/281229720.db2.gz STEDYQNYBVQKQU-ZDUSSCGKSA-N 1 0 275.352 2.578 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000449345275 281242882 /nfs/dbraw/zinc/24/28/82/281242882.db2.gz VAVOQPWDZBSERM-XJKCOSOUSA-N 1 0 292.379 2.667 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000451629060 281246450 /nfs/dbraw/zinc/24/64/50/281246450.db2.gz CNQQMAMVWPEQES-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO COC[C@@H](C)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000527111446 281325259 /nfs/dbraw/zinc/32/52/59/281325259.db2.gz DZRUHFVYNZPYAW-ZDUSSCGKSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000537959547 281546839 /nfs/dbraw/zinc/54/68/39/281546839.db2.gz LSEDDCAWAFZXTK-VNHYZAJKSA-N 1 0 292.379 2.667 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539068609 281565319 /nfs/dbraw/zinc/56/53/19/281565319.db2.gz CINMKKOSAHYFBY-CYBMUJFWSA-N 1 0 296.367 2.624 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000539058102 281565322 /nfs/dbraw/zinc/56/53/22/281565322.db2.gz FDWBYDWAAFIHCV-XAAFQQQXSA-N 1 0 298.408 2.711 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000545310271 281685670 /nfs/dbraw/zinc/68/56/70/281685670.db2.gz ZCQPKLKQUZWSNB-IJWDBEHRSA-N 1 0 278.352 2.881 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000545310270 281685683 /nfs/dbraw/zinc/68/56/83/281685683.db2.gz ZCQPKLKQUZWSNB-DIABFLQPSA-N 1 0 278.352 2.881 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](C)C[C@@H]1C ZINC000547770320 281754496 /nfs/dbraw/zinc/75/44/96/281754496.db2.gz JAXJENLRVLBPMR-RYUDHWBXSA-N 1 0 291.351 2.715 20 5 CFBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000548487992 281789140 /nfs/dbraw/zinc/78/91/40/281789140.db2.gz KZWOXVNSXGWQIG-QWHCGFSZSA-N 1 0 280.372 2.740 20 5 CFBDRO Cc1c(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000560120033 282015563 /nfs/dbraw/zinc/01/55/63/282015563.db2.gz ATVAPWXVVLJOLY-YABSGUDNSA-N 1 0 278.352 2.949 20 5 CFBDRO C[C@@H]1[C@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000357041219 289014716 /nfs/dbraw/zinc/01/47/16/289014716.db2.gz QLBDXAKZVQQNIJ-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO COCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151666558 289828437 /nfs/dbraw/zinc/82/84/37/289828437.db2.gz NNIZVXJVJIBJFP-LLVKDONJSA-N 1 0 252.314 2.590 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312570586 290016449 /nfs/dbraw/zinc/01/64/49/290016449.db2.gz OGKQKCAPJPOKAW-LLVKDONJSA-N 1 0 281.331 2.796 20 5 CFBDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268786659 290059173 /nfs/dbraw/zinc/05/91/73/290059173.db2.gz CRHUFWIXQGZLTJ-MKBNYLNASA-N 1 0 289.379 2.728 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417760 290147184 /nfs/dbraw/zinc/14/71/84/290147184.db2.gz LLKIBNPXJYLSIE-DZGCQCFKSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000564727470 290227335 /nfs/dbraw/zinc/22/73/35/290227335.db2.gz DQJGXTHFGBQXST-WCQYABFASA-N 1 0 278.352 2.985 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1=CCOCC1 ZINC000564777154 290231408 /nfs/dbraw/zinc/23/14/08/290231408.db2.gz GCWWDDLUFJTGBY-LBPRGKRZSA-N 1 0 276.336 2.901 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218300 290283924 /nfs/dbraw/zinc/28/39/24/290283924.db2.gz PKADFJULMXKFRE-QMTHXVAHSA-N 1 0 286.335 2.666 20 5 CFBDRO CC[NH2+]CCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000566088333 290346555 /nfs/dbraw/zinc/34/65/55/290346555.db2.gz RXKDGLXRUYNGRO-CQSZACIVSA-N 1 0 265.357 2.635 20 5 CFBDRO COCCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475848 290391457 /nfs/dbraw/zinc/39/14/57/290391457.db2.gz QJXZMUWDWZKXDB-CQSZACIVSA-N 1 0 278.352 2.988 20 5 CFBDRO CN(CCC[NH+](C)C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000566607511 290404430 /nfs/dbraw/zinc/40/44/30/290404430.db2.gz DVIJTBCLQARUAM-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000567477666 290466726 /nfs/dbraw/zinc/46/67/26/290466726.db2.gz HQCGGHXUIJEYOL-GFCCVEGCSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000301640293 293339749 /nfs/dbraw/zinc/33/97/49/293339749.db2.gz MBYWXWUCIPQGMF-AWEZNQCLSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000278685392 301869569 /nfs/dbraw/zinc/86/95/69/301869569.db2.gz UPXZWUFWNOELME-TYNCELHUSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cccc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302484872 301998228 /nfs/dbraw/zinc/99/82/28/301998228.db2.gz HVNLCQKIYVFOAP-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414065738 533697012 /nfs/dbraw/zinc/69/70/12/533697012.db2.gz GGDATEINTNSPIG-UMNHJUIQSA-N 1 0 264.325 2.738 20 5 CFBDRO Cc1cnc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])nc1 ZINC000571536934 322587151 /nfs/dbraw/zinc/58/71/51/322587151.db2.gz WFOUPTFTDCEQNY-CQSZACIVSA-N 1 0 298.346 2.513 20 5 CFBDRO Cc1ncncc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000572735043 322630488 /nfs/dbraw/zinc/63/04/88/322630488.db2.gz OIYIGYZDMOMILA-NSHDSACASA-N 1 0 286.335 2.852 20 5 CFBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183477823 323918859 /nfs/dbraw/zinc/91/88/59/323918859.db2.gz ZVMRCCBRVQOXKT-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000382424497 324428084 /nfs/dbraw/zinc/42/80/84/324428084.db2.gz LVJKASVJIBTSEK-MNOVXSKESA-N 1 0 286.335 2.825 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000385604010 324463576 /nfs/dbraw/zinc/46/35/76/324463576.db2.gz FDJJCQNPULYXKA-GBIKHYSHSA-N 1 0 264.325 2.738 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000579129988 324924806 /nfs/dbraw/zinc/92/48/06/324924806.db2.gz OEVRDOTZWVRASG-XFJVYGCCSA-N 1 0 290.363 2.723 20 5 CFBDRO CC(C)[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580305473 325023212 /nfs/dbraw/zinc/02/32/12/325023212.db2.gz FLDJZPJBVDUJDM-GFCCVEGCSA-N 1 0 293.367 2.805 20 5 CFBDRO CC(C)[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580305474 325023421 /nfs/dbraw/zinc/02/34/21/325023421.db2.gz FLDJZPJBVDUJDM-LBPRGKRZSA-N 1 0 293.367 2.805 20 5 CFBDRO Cn1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000580372974 325029577 /nfs/dbraw/zinc/02/95/77/325029577.db2.gz WNOBCARSMNWECP-UHFFFAOYSA-N 1 0 298.346 2.747 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430740 325204934 /nfs/dbraw/zinc/20/49/34/325204934.db2.gz GOIATEBUNMHKCQ-GLQYFDAESA-N 1 0 292.379 2.969 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582430742 325205621 /nfs/dbraw/zinc/20/56/21/325205621.db2.gz GOIATEBUNMHKCQ-TUKIKUTGSA-N 1 0 292.379 2.969 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583574607 325297988 /nfs/dbraw/zinc/29/79/88/325297988.db2.gz FAZLHLXMPBNOSW-CYBMUJFWSA-N 1 0 278.352 2.723 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000583844875 325314150 /nfs/dbraw/zinc/31/41/50/325314150.db2.gz JRAUWGCJDFSKIT-NEPJUHHUSA-N 1 0 275.352 2.940 20 5 CFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154985017 782136382 /nfs/dbraw/zinc/13/63/82/782136382.db2.gz KLKSJBCOBQUMDD-RKDXNWHRSA-N 1 0 284.747 2.633 20 5 CFBDRO C[N@@H+](Cc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269714927 500775046 /nfs/dbraw/zinc/77/50/46/500775046.db2.gz RRBFKQWWUQDTIM-AWEZNQCLSA-N 1 0 292.360 2.822 20 5 CFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(C)C ZINC000425994883 533944073 /nfs/dbraw/zinc/94/40/73/533944073.db2.gz ITQCZFNLQIJIFH-GXSJLCMTSA-N 1 0 288.351 2.995 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245470767 519863761 /nfs/dbraw/zinc/86/37/61/519863761.db2.gz WVVHFFAWHJYIIX-ZIAGYGMSSA-N 1 0 291.395 2.977 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000077383135 520336095 /nfs/dbraw/zinc/33/60/95/520336095.db2.gz HFXBTQPXXHZXPG-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO CCC[C@H]([NH2+]CC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982745 521159807 /nfs/dbraw/zinc/15/98/07/521159807.db2.gz ATBXIQUQJQSFKW-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000305724782 521221131 /nfs/dbraw/zinc/22/11/31/521221131.db2.gz FXLDZWLELYJHFK-LLVKDONJSA-N 1 0 294.351 2.559 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000357774626 521613465 /nfs/dbraw/zinc/61/34/65/521613465.db2.gz LJLBTDGBXJJPES-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049093627 521936047 /nfs/dbraw/zinc/93/60/47/521936047.db2.gz SDFMMLSOGHXPAV-RYUDHWBXSA-N 1 0 266.341 2.998 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000300492670 522032046 /nfs/dbraw/zinc/03/20/46/522032046.db2.gz CNMKHADRKBIGFI-MRVPVSSYSA-N 1 0 257.721 2.516 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CCOC)COC)c1cccc([N+](=O)[O-])c1 ZINC000314374268 522705339 /nfs/dbraw/zinc/70/53/39/522705339.db2.gz QBYJYKCTMSGLSY-ZFWWWQNUSA-N 1 0 296.367 2.687 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000218863325 522763009 /nfs/dbraw/zinc/76/30/09/522763009.db2.gz UGUBWVORUOPONX-VHSXEESVSA-N 1 0 297.330 2.637 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000337416206 522976168 /nfs/dbraw/zinc/97/61/68/522976168.db2.gz NRXSATNMSUMBCO-GWCFXTLKSA-N 1 0 264.325 2.882 20 5 CFBDRO COCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151666939 523378235 /nfs/dbraw/zinc/37/82/35/523378235.db2.gz DVLCLXQWBGMZCM-LLVKDONJSA-N 1 0 252.314 2.590 20 5 CFBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000227307487 523752663 /nfs/dbraw/zinc/75/26/63/523752663.db2.gz KZMDUGBJNJNFKF-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO C[NH+]1CCC(C)(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000227307638 523753257 /nfs/dbraw/zinc/75/32/57/523753257.db2.gz QGLCCQIEGNEYNV-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000073616604 523753551 /nfs/dbraw/zinc/75/35/51/523753551.db2.gz MOYLNAMCTGUSNT-UHFFFAOYSA-N 1 0 266.341 2.699 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000364854860 523786197 /nfs/dbraw/zinc/78/61/97/523786197.db2.gz LHQUNVAEHSYXMP-JIMOISOXSA-N 1 0 296.392 2.950 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCCF ZINC000360997246 524385531 /nfs/dbraw/zinc/38/55/31/524385531.db2.gz BWKXJAJOHCLJBV-NSHDSACASA-N 1 0 297.330 2.651 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337210792 524578200 /nfs/dbraw/zinc/57/82/00/524578200.db2.gz DATMXHXJZWLYJM-VXGBXAGGSA-N 1 0 291.351 2.796 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000057591059 524583876 /nfs/dbraw/zinc/58/38/76/524583876.db2.gz CEZJCGGSZLXXMF-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000310874460 524621993 /nfs/dbraw/zinc/62/19/93/524621993.db2.gz UDMJJIOJPQXRDO-UWVGGRQHSA-N 1 0 252.289 2.822 20 5 CFBDRO C[C@H]1C[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391044 524777163 /nfs/dbraw/zinc/77/71/63/524777163.db2.gz ZZAJCRQRVYVUEO-ZFWWWQNUSA-N 1 0 292.379 2.884 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)C[NH+](C)C ZINC000311097159 524906785 /nfs/dbraw/zinc/90/67/85/524906785.db2.gz JKOFNCMFUAOSJM-SNVBAGLBSA-N 1 0 251.330 2.513 20 5 CFBDRO Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000063201258 525059817 /nfs/dbraw/zinc/05/98/17/525059817.db2.gz KVZOBFFYNRIOSS-HNNXBMFYSA-N 1 0 289.379 2.872 20 5 CFBDRO Cc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC000092026830 525267963 /nfs/dbraw/zinc/26/79/63/525267963.db2.gz IIUVVNQWIBXXLT-YHWZYXNKSA-N 1 0 290.367 2.583 20 5 CFBDRO C[C@H]([NH2+]CCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000049574427 525350330 /nfs/dbraw/zinc/35/03/30/525350330.db2.gz DTVSCWWSLOTLRG-ZDUSSCGKSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000166306602 525376854 /nfs/dbraw/zinc/37/68/54/525376854.db2.gz FNDHIPITEZMHDU-NHYWBVRUSA-N 1 0 277.368 2.586 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000234840389 525462705 /nfs/dbraw/zinc/46/27/05/525462705.db2.gz LACDKXFACCENEW-ZIAGYGMSSA-N 1 0 294.351 2.507 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000340321318 525541324 /nfs/dbraw/zinc/54/13/24/525541324.db2.gz AYAMLQLZFLAEQF-RISCZKNCSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H]([NH2+]Cc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000054788180 525553364 /nfs/dbraw/zinc/55/33/64/525553364.db2.gz QAEPNCBKBJAJJG-SECBINFHSA-N 1 0 263.322 2.902 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339384294 525557993 /nfs/dbraw/zinc/55/79/93/525557993.db2.gz DGRLRGRKBHSKAR-GFCCVEGCSA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1c(C[NH2+]Cc2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000232782313 525725975 /nfs/dbraw/zinc/72/59/75/525725975.db2.gz KGWVIMHFVJZJNM-UHFFFAOYSA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883497 525730889 /nfs/dbraw/zinc/73/08/89/525730889.db2.gz RCDARQMWUSEKFT-GWCFXTLKSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000231884646 525731801 /nfs/dbraw/zinc/73/18/01/525731801.db2.gz LPAAGWVKTQOAEP-ZDUSSCGKSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1c(NC(=O)c2ccc3c[nH+]cn3c2)cccc1[N+](=O)[O-] ZINC000339886340 525863197 /nfs/dbraw/zinc/86/31/97/525863197.db2.gz DQMJARAYRFSKBH-UHFFFAOYSA-N 1 0 296.286 2.803 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000361399466 525896682 /nfs/dbraw/zinc/89/66/82/525896682.db2.gz FUUMTCUFGIPLCB-IUODEOHRSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCCC2)n1 ZINC000360656313 526060897 /nfs/dbraw/zinc/06/08/97/526060897.db2.gz GXPWBBMMSJSOBE-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000084726450 526064284 /nfs/dbraw/zinc/06/42/84/526064284.db2.gz FYKBLZCXLDYSTE-GXTWGEPZSA-N 1 0 275.352 2.942 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450308288 536477321 /nfs/dbraw/zinc/47/73/21/536477321.db2.gz KWWLHQRCXGWBAI-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO CC(C)(CNc1ncc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000413266510 527184934 /nfs/dbraw/zinc/18/49/34/527184934.db2.gz PHCCTMVFPHELFQ-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CC(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420276403 527316663 /nfs/dbraw/zinc/31/66/63/527316663.db2.gz HLEJEGARXKMMRR-WCQYABFASA-N 1 0 291.351 2.727 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000311329820 527349845 /nfs/dbraw/zinc/34/98/45/527349845.db2.gz FWYZMRVHHYOIFM-LLVKDONJSA-N 1 0 284.743 2.595 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c(F)c1 ZINC000313329721 527350698 /nfs/dbraw/zinc/35/06/98/527350698.db2.gz LCVJZDUEMIVQKJ-KBPBESRZSA-N 1 0 282.315 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000045629516 527372282 /nfs/dbraw/zinc/37/22/82/527372282.db2.gz XGSKRAAFVIWPKV-CYBMUJFWSA-N 1 0 276.336 2.920 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCO)s1 ZINC000067697384 527395569 /nfs/dbraw/zinc/39/55/69/527395569.db2.gz CDPDEGVUUVWSDD-UHFFFAOYSA-N 1 0 292.360 2.795 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCOC(F)F ZINC000337867932 527397250 /nfs/dbraw/zinc/39/72/50/527397250.db2.gz PBDMVDLAOUPYKY-ZZXKWVIFSA-N 1 0 286.278 2.827 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCC12CCOCC2 ZINC000374367493 527399573 /nfs/dbraw/zinc/39/95/73/527399573.db2.gz VZYPGSHZMQRJEN-HNNXBMFYSA-N 1 0 290.363 2.686 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000365849085 527490635 /nfs/dbraw/zinc/49/06/35/527490635.db2.gz RZWKGWMDAYLXTE-CYBMUJFWSA-N 1 0 292.383 2.921 20 5 CFBDRO CCC[C@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423281237 528215529 /nfs/dbraw/zinc/21/55/29/528215529.db2.gz BACOWJSRCALURC-ZDUSSCGKSA-N 1 0 265.357 2.763 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256537 528309825 /nfs/dbraw/zinc/30/98/25/528309825.db2.gz BYEPKTOUDFKTPV-AAEUAGOBSA-N 1 0 265.357 2.619 20 5 CFBDRO CC(C)C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414831542 528517210 /nfs/dbraw/zinc/51/72/10/528517210.db2.gz CKRINPJDTKQRHI-LLVKDONJSA-N 1 0 285.775 2.711 20 5 CFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414708608 528654274 /nfs/dbraw/zinc/65/42/74/528654274.db2.gz QBTUHBSNDRLKTM-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414706046 528816595 /nfs/dbraw/zinc/81/65/95/528816595.db2.gz OGYLXBBRMBUYDM-NSHDSACASA-N 1 0 294.355 2.542 20 5 CFBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413039850 528822627 /nfs/dbraw/zinc/82/26/27/528822627.db2.gz IZHSXNRQOIHCSY-CYBMUJFWSA-N 1 0 298.362 2.907 20 5 CFBDRO CCC([NH3+])(CC)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414796035 528947704 /nfs/dbraw/zinc/94/77/04/528947704.db2.gz BNXTVBVOSWNBFP-CLFYSBASSA-N 1 0 277.368 2.715 20 5 CFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414668754 528949836 /nfs/dbraw/zinc/94/98/36/528949836.db2.gz ZGPCATDSDHEKBR-GFCCVEGCSA-N 1 0 294.355 2.542 20 5 CFBDRO CCCC[C@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414811091 528952780 /nfs/dbraw/zinc/95/27/80/528952780.db2.gz IVBHJWSICJPSKC-IZPAUZPXSA-N 1 0 277.368 2.715 20 5 CFBDRO CC[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000449539204 535893084 /nfs/dbraw/zinc/89/30/84/535893084.db2.gz IEIVBDVOUOWZQA-SEOWSWFZSA-N 1 0 278.352 2.747 20 5 CFBDRO CC[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000449539202 535893396 /nfs/dbraw/zinc/89/33/96/535893396.db2.gz IEIVBDVOUOWZQA-FMUZQAFBSA-N 1 0 278.352 2.747 20 5 CFBDRO CCc1cc(NCCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000450410502 536089170 /nfs/dbraw/zinc/08/91/70/536089170.db2.gz NDUDUPZQTFLDTC-UHFFFAOYSA-N 1 0 271.320 2.629 20 5 CFBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000449630653 536656066 /nfs/dbraw/zinc/65/60/66/536656066.db2.gz NNEWVDKKGFUDDP-IAQYHMDHSA-N 1 0 278.352 2.806 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C)OCCCO1 ZINC000754120785 574074961 /nfs/dbraw/zinc/07/49/61/574074961.db2.gz CGCDHBISOJWCEC-GFCCVEGCSA-N 1 0 294.351 2.707 20 5 CFBDRO C[C@H]1CC[N@H+](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000744450175 574074978 /nfs/dbraw/zinc/07/49/78/574074978.db2.gz ODEMCGHKVPVXEO-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO COC(=O)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754514462 574106358 /nfs/dbraw/zinc/10/63/58/574106358.db2.gz IJCXLQOHZXVQRG-IINYFYTJSA-N 1 0 292.335 2.587 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000755067863 574135835 /nfs/dbraw/zinc/13/58/35/574135835.db2.gz URUQFXABMPIGDZ-YPMHNXCESA-N 1 0 262.309 2.588 20 5 CFBDRO Cc1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000747211664 574187631 /nfs/dbraw/zinc/18/76/31/574187631.db2.gz HXGHPHWLMCNWJY-ZDUSSCGKSA-N 1 0 277.368 2.870 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H]2C)c1 ZINC000756121063 574211169 /nfs/dbraw/zinc/21/11/69/574211169.db2.gz XLKUDFQBVTUGHG-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Cl)nc2)cc1 ZINC000749322973 574289464 /nfs/dbraw/zinc/28/94/64/574289464.db2.gz JFXFAOVVYMUSRL-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000749392531 574293216 /nfs/dbraw/zinc/29/32/16/574293216.db2.gz OKUAJODTACDROG-LLVKDONJSA-N 1 0 281.331 2.701 20 5 CFBDRO Cc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000749670268 574304467 /nfs/dbraw/zinc/30/44/67/574304467.db2.gz KCCSEFPEFNLYOH-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOC1CCC1 ZINC000742387892 574327335 /nfs/dbraw/zinc/32/73/35/574327335.db2.gz YATAXEMIDKHLIW-GQCTYLIASA-N 1 0 276.336 2.767 20 5 CFBDRO CCC[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000735871453 574340407 /nfs/dbraw/zinc/34/04/07/574340407.db2.gz JRBRUHXCCQQQIE-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891624805 617690187 /nfs/dbraw/zinc/69/01/87/617690187.db2.gz GYZOXLKQZQMBJC-SNVBAGLBSA-N 1 0 282.340 2.929 20 5 CFBDRO C[NH+](C)CC(C)(C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000308635249 617715340 /nfs/dbraw/zinc/71/53/40/617715340.db2.gz HLKXWYSUBULHBD-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000891863080 617791141 /nfs/dbraw/zinc/79/11/41/617791141.db2.gz ULOVEZYERZMWBB-WDEREUQCSA-N 1 0 294.351 2.929 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000892021816 617915874 /nfs/dbraw/zinc/91/58/74/617915874.db2.gz NTHJKPBSQSXCLP-UHFFFAOYSA-N 1 0 280.324 2.541 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000892069927 617937585 /nfs/dbraw/zinc/93/75/85/617937585.db2.gz QIAAATZTVDZIKY-WDEREUQCSA-N 1 0 294.351 2.929 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892069926 617937780 /nfs/dbraw/zinc/93/77/80/617937780.db2.gz QIAAATZTVDZIKY-QWRGUYRKSA-N 1 0 294.351 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC000934390102 618027681 /nfs/dbraw/zinc/02/76/81/618027681.db2.gz DIEXJWADURONBJ-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988648 618152081 /nfs/dbraw/zinc/15/20/81/618152081.db2.gz XYXISLJAQCLOBZ-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1c(CN2CCOC[C@@H]2CC2CC2)cccc1[N+](=O)[O-] ZINC000933214120 618170532 /nfs/dbraw/zinc/17/05/32/618170532.db2.gz VBUKRBAGIGIHMU-HNNXBMFYSA-N 1 0 290.363 2.904 20 5 CFBDRO C[C@H]([NH3+])[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925595831 618281770 /nfs/dbraw/zinc/28/17/70/618281770.db2.gz SYHUYEFMYIGCEM-LRDDRELGSA-N 1 0 285.347 2.773 20 5 CFBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000312511747 618297684 /nfs/dbraw/zinc/29/76/84/618297684.db2.gz SELLSXUDTCPFII-QMTHXVAHSA-N 1 0 297.786 2.665 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2(C)CCCC2)c1[N+](=O)[O-] ZINC000892460759 618300976 /nfs/dbraw/zinc/30/09/76/618300976.db2.gz UZUOEEFTRWTLBE-UHFFFAOYSA-N 1 0 280.324 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CO)cc1Cl ZINC000895149890 618393253 /nfs/dbraw/zinc/39/32/53/618393253.db2.gz CQDKBEIIRIELMZ-GFCCVEGCSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCS[C@@H]2C)cccc1[N+](=O)[O-] ZINC000235651799 618400246 /nfs/dbraw/zinc/40/02/46/618400246.db2.gz BEVOVXHUUSTJRM-ZYHUDNBSSA-N 1 0 266.366 2.887 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cc([C@H]2CCC[NH2+]C2)on1 ZINC000901393686 620803697 /nfs/dbraw/zinc/80/36/97/620803697.db2.gz BCYURHHOTABYBC-JTQLQIEISA-N 1 0 273.292 2.717 20 5 CFBDRO [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261756937 618417987 /nfs/dbraw/zinc/41/79/87/618417987.db2.gz COXPQNWXPNRHNR-NSHDSACASA-N 1 0 297.786 2.809 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894175232 618427396 /nfs/dbraw/zinc/42/73/96/618427396.db2.gz ZLQPWMZUPURXID-GHMZBOCLSA-N 1 0 294.351 2.835 20 5 CFBDRO Cc1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000235871126 618455378 /nfs/dbraw/zinc/45/53/78/618455378.db2.gz OUGTZRGRSPDSHK-ZDUSSCGKSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1cc(N2CC[C@@H](CC[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000895324778 618534055 /nfs/dbraw/zinc/53/40/55/618534055.db2.gz KHRWIMDSMKZQAF-GFCCVEGCSA-N 1 0 295.358 2.820 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CSC2)cc1Cl ZINC000895421538 618582263 /nfs/dbraw/zinc/58/22/63/618582263.db2.gz OYZPAGSMSDPGDA-UHFFFAOYSA-N 1 0 272.757 2.701 20 5 CFBDRO COC[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178030477 618619928 /nfs/dbraw/zinc/61/99/28/618619928.db2.gz KOVGPISXKAUBKY-JTQLQIEISA-N 1 0 286.759 2.963 20 5 CFBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230696737 618773866 /nfs/dbraw/zinc/77/38/66/618773866.db2.gz FMVUVECLGOXWIB-WCQYABFASA-N 1 0 266.366 2.969 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000926891227 618805747 /nfs/dbraw/zinc/80/57/47/618805747.db2.gz HOPBVSSIPNRCIU-WDBKCZKBSA-N 1 0 276.336 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]Cc3ccccc32)cc1 ZINC000062818120 618890618 /nfs/dbraw/zinc/89/06/18/618890618.db2.gz GMNIMJGHFKJZJO-UHFFFAOYSA-N 1 0 283.331 2.705 20 5 CFBDRO CC[C@H](CO)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641091 618903527 /nfs/dbraw/zinc/90/35/27/618903527.db2.gz VTMCTDDQHHHUCM-ZIAGYGMSSA-N 1 0 278.352 2.545 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[N@@H+]1C ZINC000092628195 618915183 /nfs/dbraw/zinc/91/51/83/618915183.db2.gz WBOOYNPTMBFKHU-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313522983 618995473 /nfs/dbraw/zinc/99/54/73/618995473.db2.gz MAAWHOMQYPWZCM-GWCFXTLKSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000094797060 619137482 /nfs/dbraw/zinc/13/74/82/619137482.db2.gz SXVSPVNCWGHZHD-ZDUSSCGKSA-N 1 0 284.743 2.907 20 5 CFBDRO COC(=O)CC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932176985 619203696 /nfs/dbraw/zinc/20/36/96/619203696.db2.gz HJCHMIHNHBUCEA-LLVKDONJSA-N 1 0 292.335 2.589 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1Cl ZINC000840978020 619207215 /nfs/dbraw/zinc/20/72/15/619207215.db2.gz KYNFPYGNGGXFBR-NEPJUHHUSA-N 1 0 298.770 2.889 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893866564 619231123 /nfs/dbraw/zinc/23/11/23/619231123.db2.gz JGCFOYNLFKCYSV-MWLCHTKSSA-N 1 0 280.324 2.587 20 5 CFBDRO Cc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000894798345 619469254 /nfs/dbraw/zinc/46/92/54/619469254.db2.gz BZLIJCRXNIUMEY-OAHLLOKOSA-N 1 0 294.351 2.536 20 5 CFBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000894879732 619495081 /nfs/dbraw/zinc/49/50/81/619495081.db2.gz XNHJLYONZYHDFQ-PHIMTYICSA-N 1 0 281.743 2.531 20 5 CFBDRO C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000895565001 619559592 /nfs/dbraw/zinc/55/95/92/619559592.db2.gz RXEMVNMMYZSVBA-VURMDHGXSA-N 1 0 289.379 2.634 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000895739220 619593590 /nfs/dbraw/zinc/59/35/90/619593590.db2.gz YAPPFXZPYLHMFF-ZYHUDNBSSA-N 1 0 286.335 2.648 20 5 CFBDRO C[NH+]1CCC2(CCN2c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000897137016 619939286 /nfs/dbraw/zinc/93/92/86/619939286.db2.gz NSKVKVWSUYNXJA-UHFFFAOYSA-N 1 0 297.305 2.548 20 5 CFBDRO CN(CC(C)(C)C[NH+](C)C)c1ccsc1[N+](=O)[O-] ZINC000897420958 620115097 /nfs/dbraw/zinc/11/50/97/620115097.db2.gz MBAXZWRCOYVRQN-UHFFFAOYSA-N 1 0 271.386 2.680 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000897461775 620176644 /nfs/dbraw/zinc/17/66/44/620176644.db2.gz XFRFBLKZRSCAGY-JMSVASOKSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464352 620176646 /nfs/dbraw/zinc/17/66/46/620176646.db2.gz LOUHKDAEKOQAMH-MBNYWOFBSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000897461776 620176726 /nfs/dbraw/zinc/17/67/26/620176726.db2.gz XFRFBLKZRSCAGY-LALPHHSUSA-N 1 0 278.352 2.855 20 5 CFBDRO COC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897466479 620177400 /nfs/dbraw/zinc/17/74/00/620177400.db2.gz VQAMTLPXMZPULT-RISCZKNCSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+]Cc1cc[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000897466576 620177429 /nfs/dbraw/zinc/17/74/29/620177429.db2.gz XUAXEBMLKAHVEG-LLVKDONJSA-N 1 0 259.309 2.816 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1 ZINC000897505254 620195050 /nfs/dbraw/zinc/19/50/50/620195050.db2.gz JSYDNAJWLXBUAA-JKSUJKDBSA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000925308093 620242077 /nfs/dbraw/zinc/24/20/77/620242077.db2.gz BEBDIYFNAWWHOL-GDBMZVCRSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000925313613 620249098 /nfs/dbraw/zinc/24/90/98/620249098.db2.gz NXRXQCZREVYISY-NUYPLMSZSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CCO)C1 ZINC000898010446 620316708 /nfs/dbraw/zinc/31/67/08/620316708.db2.gz HHSWIAPHUYUHKG-DNOWBOINSA-N 1 0 292.379 2.667 20 5 CFBDRO CN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH+](C)C ZINC000898309039 620370828 /nfs/dbraw/zinc/37/08/28/620370828.db2.gz JGMPLOWIMPUTLT-UHFFFAOYSA-N 1 0 279.384 2.614 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c(Cl)c1 ZINC000898381724 620378202 /nfs/dbraw/zinc/37/82/02/620378202.db2.gz LKNIWECZKSWMKA-GXTWGEPZSA-N 1 0 296.754 2.763 20 5 CFBDRO C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431178 621077041 /nfs/dbraw/zinc/07/70/41/621077041.db2.gz SCVYAFLXINTSSC-WFASDCNBSA-N 1 0 289.379 2.573 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC1(C)C ZINC000902450486 621091658 /nfs/dbraw/zinc/09/16/58/621091658.db2.gz SPCASIOEQQOZPA-DOMZBBRYSA-N 1 0 291.395 2.504 20 5 CFBDRO CCn1cnc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000902672297 621145406 /nfs/dbraw/zinc/14/54/06/621145406.db2.gz UYVWFWBSRVMZDV-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCSC)cc([N+](=O)[O-])c1 ZINC000903058543 621236640 /nfs/dbraw/zinc/23/66/40/621236640.db2.gz RSZYWUPOXWKWFO-SECBINFHSA-N 1 0 270.354 2.617 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](CO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903076178 621243883 /nfs/dbraw/zinc/24/38/83/621243883.db2.gz LCYKRPLDERMDOC-AAEUAGOBSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H](CO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903076181 621243905 /nfs/dbraw/zinc/24/39/05/621243905.db2.gz LCYKRPLDERMDOC-YPMHNXCESA-N 1 0 296.367 2.661 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903078288 621244207 /nfs/dbraw/zinc/24/42/07/621244207.db2.gz FIRJWQQJJRYYPM-QWRGUYRKSA-N 1 0 282.340 2.537 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903100365 621252750 /nfs/dbraw/zinc/25/27/50/621252750.db2.gz QZVCRUJJHJSVGF-UTUOFQBUSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc([N+](=O)[O-])c1 ZINC000903110608 621257218 /nfs/dbraw/zinc/25/72/18/621257218.db2.gz PNOIXLKOOSAMIE-ABAIWWIYSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903121341 621260690 /nfs/dbraw/zinc/26/06/90/621260690.db2.gz QXSDGYVWTLXBSE-MWLCHTKSSA-N 1 0 282.365 2.760 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903153891 621269044 /nfs/dbraw/zinc/26/90/44/621269044.db2.gz PISSZWPWGKKPDT-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000903178971 621276441 /nfs/dbraw/zinc/27/64/41/621276441.db2.gz KSFVKBKDNXMXRJ-VCTAVGKDSA-N 1 0 294.351 2.822 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)COC1 ZINC000903188351 621286230 /nfs/dbraw/zinc/28/62/30/621286230.db2.gz ZEKJZUGSUVPNIH-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903216675 621290804 /nfs/dbraw/zinc/29/08/04/621290804.db2.gz GHQPPWSHWKZSHR-JTNHKYCSSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000903246405 621295050 /nfs/dbraw/zinc/29/50/50/621295050.db2.gz UQUCKMNJBLNVOY-RYUDHWBXSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000903244912 621295649 /nfs/dbraw/zinc/29/56/49/621295649.db2.gz GGDPASKDRORHQM-RYUDHWBXSA-N 1 0 288.351 2.783 20 5 CFBDRO Cc1nonc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245224 621296124 /nfs/dbraw/zinc/29/61/24/621296124.db2.gz KQMUHSQLYMLHMP-UWVGGRQHSA-N 1 0 290.323 2.741 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245458 621296172 /nfs/dbraw/zinc/29/61/72/621296172.db2.gz MHPRUPRZBRZAPN-NEPJUHHUSA-N 1 0 288.351 2.783 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903228270 621297007 /nfs/dbraw/zinc/29/70/07/621297007.db2.gz SWQRTRFNMVSVMQ-RISCZKNCSA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286834 621318719 /nfs/dbraw/zinc/31/87/19/621318719.db2.gz HWNLDXFPUMIJMN-WDMOLILDSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287784 621318959 /nfs/dbraw/zinc/31/89/59/621318959.db2.gz PYEAFUUMGYGPRW-XPKDYRNWSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903445456 621384152 /nfs/dbraw/zinc/38/41/52/621384152.db2.gz TVVPKFVXXDLGDU-ZTHSNPKKSA-N 1 0 255.705 2.580 20 5 CFBDRO CCC1([NH3+])CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000903947529 621485327 /nfs/dbraw/zinc/48/53/27/621485327.db2.gz ZYJBCRHXHHPQTP-FNORWQNLSA-N 1 0 289.379 2.811 20 5 CFBDRO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000904186963 621538703 /nfs/dbraw/zinc/53/87/03/621538703.db2.gz DQRJGLPSPQOBSA-CQSZACIVSA-N 1 0 291.351 2.715 20 5 CFBDRO CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000905032273 621683678 /nfs/dbraw/zinc/68/36/78/621683678.db2.gz DWVNBQVRMHIZTF-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000905077536 621689741 /nfs/dbraw/zinc/68/97/41/621689741.db2.gz ZTTPFXSZQLZTNH-LBPRGKRZSA-N 1 0 286.278 2.532 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000905166396 621717439 /nfs/dbraw/zinc/71/74/39/621717439.db2.gz GKTNZLRYBQMUEL-UHFFFAOYSA-N 1 0 270.332 2.762 20 5 CFBDRO CCC[N@H+](C)[C@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905254617 621728034 /nfs/dbraw/zinc/72/80/34/621728034.db2.gz DJTZFMZYJXAMMN-CQSZACIVSA-N 1 0 299.802 2.589 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000820581064 622707691 /nfs/dbraw/zinc/70/76/91/622707691.db2.gz MOADRTSPCYEULE-UHFFFAOYSA-N 1 0 293.342 2.656 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CO1 ZINC000924853465 622828376 /nfs/dbraw/zinc/82/83/76/622828376.db2.gz NULOXYNVBJWIBQ-ZOODHJKOSA-N 1 0 276.336 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cccnc32)cc1 ZINC000226813427 623090330 /nfs/dbraw/zinc/09/03/30/623090330.db2.gz HEGNRZIEPSNZIT-CQSZACIVSA-N 1 0 269.304 2.767 20 5 CFBDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000168441281 623094812 /nfs/dbraw/zinc/09/48/12/623094812.db2.gz ZCKOLTLXNWXRNW-JSGCOSHPSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)[C@@H](C)[NH3+] ZINC000823070099 623227796 /nfs/dbraw/zinc/22/77/96/623227796.db2.gz ZAARDMKSHKVVPX-GMSGAONNSA-N 1 0 296.352 2.793 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000062350949 623265721 /nfs/dbraw/zinc/26/57/21/623265721.db2.gz MNKVIUUIWGFDEF-AWEZNQCLSA-N 1 0 264.325 2.504 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CC[C@@H](C)O2)cccc1[N+](=O)[O-] ZINC000231884548 623372913 /nfs/dbraw/zinc/37/29/13/623372913.db2.gz BSIPOFOSTKRUOO-ZWNOBZJWSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCC(C)(C)O2)cccc1[N+](=O)[O-] ZINC000231885917 623374553 /nfs/dbraw/zinc/37/45/53/623374553.db2.gz CKVLTCNLBMXCGJ-CYBMUJFWSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCCC2)cc1F ZINC000094773667 623484498 /nfs/dbraw/zinc/48/44/98/623484498.db2.gz GWKQLFSBAHDBPP-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000825339065 623676733 /nfs/dbraw/zinc/67/67/33/623676733.db2.gz ZOQFSYFGIFQXSP-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914433161 623847845 /nfs/dbraw/zinc/84/78/45/623847845.db2.gz LAWNDWHKPWURAQ-STQMWFEESA-N 1 0 296.754 2.763 20 5 CFBDRO CCCN(Cc1ccc(C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000917454816 624344212 /nfs/dbraw/zinc/34/42/12/624344212.db2.gz NBYINZLQPKXIHO-UHFFFAOYSA-N 1 0 288.351 2.969 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831392187 625008211 /nfs/dbraw/zinc/00/82/11/625008211.db2.gz HLBXKCNMAWWGQA-BIGNPOOSSA-N 1 0 296.342 2.883 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000831533713 625044082 /nfs/dbraw/zinc/04/40/82/625044082.db2.gz KBTDBPHPFYNCIR-HZMBPMFUSA-N 1 0 282.315 2.591 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@@H]1CC[NH2+]C1 ZINC000095027687 625798765 /nfs/dbraw/zinc/79/87/65/625798765.db2.gz IREJLCOOCAHGLC-SSDOTTSWSA-N 1 0 291.134 2.890 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906656 625919049 /nfs/dbraw/zinc/91/90/49/625919049.db2.gz RJEUWYUOLHVINE-ICCXJUOJSA-N 1 0 275.352 2.874 20 5 CFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922509407 626300573 /nfs/dbraw/zinc/30/05/73/626300573.db2.gz FUGCXCDYHHQULE-PKINLEFWSA-N 1 0 264.300 2.868 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000922510474 626301066 /nfs/dbraw/zinc/30/10/66/626301066.db2.gz HBHAUAXVFUEPRA-FOUMNBMASA-N 1 0 276.336 2.738 20 5 CFBDRO CCC[C@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000922825353 626370911 /nfs/dbraw/zinc/37/09/11/626370911.db2.gz OHWXVCMFFKUJKB-AWEZNQCLSA-N 1 0 296.367 2.634 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCO1 ZINC000922818566 626372518 /nfs/dbraw/zinc/37/25/18/626372518.db2.gz GDKIQGDXQYXFAA-CQSZACIVSA-N 1 0 282.315 2.783 20 5 CFBDRO CCC[C@H](O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000922818385 626372804 /nfs/dbraw/zinc/37/28/04/626372804.db2.gz QUMFQSLCSJZRGD-ZDUSSCGKSA-N 1 0 280.368 2.852 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000922843213 626378083 /nfs/dbraw/zinc/37/80/83/626378083.db2.gz QPEIPSSQOJCACO-PWSUYJOCSA-N 1 0 266.366 2.969 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000923007618 626441420 /nfs/dbraw/zinc/44/14/20/626441420.db2.gz KONKZJFIEPYHHB-JOCQHMNTSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1c(CN2CC[C@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923537365 626478980 /nfs/dbraw/zinc/47/89/80/626478980.db2.gz AGUAQKOXYLMGLG-INIZCTEOSA-N 1 0 289.379 2.621 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000839189336 626530407 /nfs/dbraw/zinc/53/04/07/626530407.db2.gz RFRZQGMTBLHGNT-KGLIPLIRSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCCCCCO)C2 ZINC000757167706 626546060 /nfs/dbraw/zinc/54/60/60/626546060.db2.gz JYWOCPUXWUZAEJ-UHFFFAOYSA-N 1 0 292.379 2.896 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000839681198 626552253 /nfs/dbraw/zinc/55/22/53/626552253.db2.gz QNGRYXHYCGOCIH-ZBFHGGJFSA-N 1 0 290.363 2.750 20 5 CFBDRO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294125 626821825 /nfs/dbraw/zinc/82/18/25/626821825.db2.gz YPUHPRPVBJMURX-QWRGUYRKSA-N 1 0 288.351 2.798 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763672807 627003838 /nfs/dbraw/zinc/00/38/38/627003838.db2.gz CIBDVBXDRSRNAF-JOYOIKCWSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764962407 627109186 /nfs/dbraw/zinc/10/91/86/627109186.db2.gz HYWVMFFJHMFTLT-SNVBAGLBSA-N 1 0 274.324 2.552 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062313 627116944 /nfs/dbraw/zinc/11/69/44/627116944.db2.gz RDWQQCYBUFZVHH-ZYHUDNBSSA-N 1 0 288.351 2.941 20 5 CFBDRO C[C@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765338136 627131791 /nfs/dbraw/zinc/13/17/91/627131791.db2.gz VMYADTOENDFLEF-STQMWFEESA-N 1 0 289.379 2.809 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000765643666 627152330 /nfs/dbraw/zinc/15/23/30/627152330.db2.gz RDYFRJUDMVWPQO-GHMZBOCLSA-N 1 0 281.331 2.653 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000851896621 634577766 /nfs/dbraw/zinc/57/77/66/634577766.db2.gz KRHDLGRLGITZOS-FZMZJTMJSA-N 1 0 294.351 2.787 20 5 CFBDRO CC(C)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279930 628125942 /nfs/dbraw/zinc/12/59/42/628125942.db2.gz VBULHOQUHDRFIP-GJZGRUSLSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581976 628160253 /nfs/dbraw/zinc/16/02/53/628160253.db2.gz KLTSVIMLAVRVKF-BXUZGUMPSA-N 1 0 266.341 2.606 20 5 CFBDRO CC1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581663 628160500 /nfs/dbraw/zinc/16/05/00/628160500.db2.gz GPIIVKTZPOAECQ-AWEZNQCLSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@H](C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581979 628160810 /nfs/dbraw/zinc/16/08/10/628160810.db2.gz KLTSVIMLAVRVKF-SMDDNHRTSA-N 1 0 266.341 2.606 20 5 CFBDRO CC[C@@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585960 628161504 /nfs/dbraw/zinc/16/15/04/628161504.db2.gz FOBIKTCNIBNOSL-CABCVRRESA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589400 628162411 /nfs/dbraw/zinc/16/24/11/628162411.db2.gz RZBNFWANNZTKRH-INIZCTEOSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590121 628162517 /nfs/dbraw/zinc/16/25/17/628162517.db2.gz YJIDZABNYRCGRK-LNSITVRQSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776591587 628163270 /nfs/dbraw/zinc/16/32/70/628163270.db2.gz KRCBKFSUVDPVKI-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955012 628267084 /nfs/dbraw/zinc/26/70/84/628267084.db2.gz SAYAETBQPVILAQ-UHFFFAOYSA-N 1 0 274.324 2.758 20 5 CFBDRO C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777955653 628267125 /nfs/dbraw/zinc/26/71/25/628267125.db2.gz WDDNKWBTKZNLEJ-UHFFFAOYSA-N 1 0 272.308 2.510 20 5 CFBDRO Cc1nn(C[N@H+](C2CC2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000779859019 628415050 /nfs/dbraw/zinc/41/50/50/628415050.db2.gz CSWVCVXIHZFNLR-UHFFFAOYSA-N 1 0 278.356 2.854 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC=CO1 ZINC000780570923 628478219 /nfs/dbraw/zinc/47/82/19/628478219.db2.gz SPPWDTSLYVOAPX-VSKVDJIOSA-N 1 0 274.320 2.890 20 5 CFBDRO CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783527314 628716859 /nfs/dbraw/zinc/71/68/59/628716859.db2.gz VMQRAQWUCJKTAC-UHFFFAOYSA-N 1 0 272.732 2.717 20 5 CFBDRO CO[C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783608297 628726600 /nfs/dbraw/zinc/72/66/00/628726600.db2.gz IHMFRYACTRYKIH-SECBINFHSA-N 1 0 272.732 2.763 20 5 CFBDRO CO[C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783608300 628726688 /nfs/dbraw/zinc/72/66/88/628726688.db2.gz IHMFRYACTRYKIH-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO CC[C@@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783636086 628729310 /nfs/dbraw/zinc/72/93/10/628729310.db2.gz MKTUTBPWDOYPLO-LLVKDONJSA-N 1 0 286.759 2.889 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783680284 628733862 /nfs/dbraw/zinc/73/38/62/628733862.db2.gz WAIYTQDHKBHYOG-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1nn(C[N@H+](C)C[C@@H]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000784006596 628761770 /nfs/dbraw/zinc/76/17/70/628761770.db2.gz AFJSWJLJWLBYFA-CYBMUJFWSA-N 1 0 278.356 2.654 20 5 CFBDRO Cc1ccc([C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000784025845 628765813 /nfs/dbraw/zinc/76/58/13/628765813.db2.gz PWXUYIGWFRLOIO-AWEZNQCLSA-N 1 0 286.335 2.547 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513652 628823134 /nfs/dbraw/zinc/82/31/34/628823134.db2.gz DRNKUFHCVCROFT-HIFRSBDPSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000785730225 628908731 /nfs/dbraw/zinc/90/87/31/628908731.db2.gz MXZFTDBYAAHOLV-TXEJJXNPSA-N 1 0 292.335 2.511 20 5 CFBDRO CN1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579100 629083402 /nfs/dbraw/zinc/08/34/02/629083402.db2.gz XYBPOPDMYBIAMF-IAQYHMDHSA-N 1 0 289.379 2.611 20 5 CFBDRO CC(C)(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000791052479 629283877 /nfs/dbraw/zinc/28/38/77/629283877.db2.gz OHCISFBZGHPFCU-GFCCVEGCSA-N 1 0 254.305 2.779 20 5 CFBDRO COc1ccc([C@@H]2CCCCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791054437 629284354 /nfs/dbraw/zinc/28/43/54/629284354.db2.gz VBANMLKSPLTZBJ-HNNXBMFYSA-N 1 0 278.352 2.889 20 5 CFBDRO COc1ccc([C@H]2CCCCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791054440 629284363 /nfs/dbraw/zinc/28/43/63/629284363.db2.gz VBANMLKSPLTZBJ-OAHLLOKOSA-N 1 0 278.352 2.889 20 5 CFBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000835086867 629384962 /nfs/dbraw/zinc/38/49/62/629384962.db2.gz MUZSLNHEMOIWAZ-GXSJLCMTSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(O)CCC2)cc1Cl ZINC000793619155 629580216 /nfs/dbraw/zinc/58/02/16/629580216.db2.gz FVSDLKUHUMYSBF-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO CC[C@H]1CC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000793820994 629597706 /nfs/dbraw/zinc/59/77/06/629597706.db2.gz NVPZZENYCGYWJD-AWEZNQCLSA-N 1 0 286.335 2.900 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000796314564 629902361 /nfs/dbraw/zinc/90/23/61/629902361.db2.gz AGLMAAUVDIDYGC-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533457 634772739 /nfs/dbraw/zinc/77/27/39/634772739.db2.gz UWVUEALCOSQIJN-SWLSCSKDSA-N 1 0 296.342 2.700 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000852533697 634773157 /nfs/dbraw/zinc/77/31/57/634773157.db2.gz XJIAJNSVLYIIEM-DOMZBBRYSA-N 1 0 296.342 2.700 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000110717506 634785679 /nfs/dbraw/zinc/78/56/79/634785679.db2.gz KHPKFTRJEFCSSB-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000110717652 634786213 /nfs/dbraw/zinc/78/62/13/634786213.db2.gz WZFWGMPBSYOEGM-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804349709 630674365 /nfs/dbraw/zinc/67/43/65/630674365.db2.gz ZNWANSNVHZKJDQ-UHFFFAOYSA-N 1 0 296.327 2.645 20 5 CFBDRO Cc1cc(-c2nc([C@@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000041123751 649988962 /nfs/dbraw/zinc/98/89/62/649988962.db2.gz KXWRSESFHNKFLV-NSHDSACASA-N 1 0 276.296 2.609 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000808447241 630994300 /nfs/dbraw/zinc/99/43/00/630994300.db2.gz YEGXRMJHRRLDEU-WBMJQRKESA-N 1 0 286.331 2.807 20 5 CFBDRO CC(C)(C)C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840149445 631057959 /nfs/dbraw/zinc/05/79/59/631057959.db2.gz IOHRJHSYYSWLLH-NSHDSACASA-N 1 0 266.345 2.507 20 5 CFBDRO CC[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000809341608 631107970 /nfs/dbraw/zinc/10/79/70/631107970.db2.gz XHNIKWKONOIEKV-UHFFFAOYSA-N 1 0 285.294 2.674 20 5 CFBDRO CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC(C)(C)C1 ZINC000840184263 631273863 /nfs/dbraw/zinc/27/38/63/631273863.db2.gz MHNOTYNPRNTRNE-UHFFFAOYSA-N 1 0 280.372 2.876 20 5 CFBDRO [NH3+]CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735284 631274099 /nfs/dbraw/zinc/27/40/99/631274099.db2.gz ZIBIIGIDQHAISH-UHFFFAOYSA-N 1 0 289.310 2.699 20 5 CFBDRO C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000841034232 631315057 /nfs/dbraw/zinc/31/50/57/631315057.db2.gz WRBJIGOLPPEVJE-CMPLNLGQSA-N 1 0 297.786 2.726 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841039029 631316449 /nfs/dbraw/zinc/31/64/49/631316449.db2.gz XNNAHZGWZZICKX-NSHDSACASA-N 1 0 285.775 2.711 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841076842 631331744 /nfs/dbraw/zinc/33/17/44/631331744.db2.gz RELGXQZQHGLVSC-UHFFFAOYSA-N 1 0 299.330 2.689 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000841890243 631488869 /nfs/dbraw/zinc/48/88/69/631488869.db2.gz LSZDSRHZRJDASK-VWYCJHECSA-N 1 0 293.323 2.979 20 5 CFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842166213 631558580 /nfs/dbraw/zinc/55/85/80/631558580.db2.gz JNJXHMQHWZHAPP-ZAZJYDDPSA-N 1 0 278.352 2.605 20 5 CFBDRO CC[N@H+](CCNc1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000811798910 631624168 /nfs/dbraw/zinc/62/41/68/631624168.db2.gz OBIQHCXMQMNIBM-UHFFFAOYSA-N 1 0 269.320 2.876 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000812893549 631803076 /nfs/dbraw/zinc/80/30/76/631803076.db2.gz XAUGCGPXEHZQGJ-CQSZACIVSA-N 1 0 280.368 2.996 20 5 CFBDRO Cc1cc(NC(=O)NCCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000843042352 631810860 /nfs/dbraw/zinc/81/08/60/631810860.db2.gz RLJPMCPVDKDUQA-UHFFFAOYSA-N 1 0 294.355 2.544 20 5 CFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1 ZINC000843053924 631818068 /nfs/dbraw/zinc/81/80/68/631818068.db2.gz LUHISUKGPUJCHI-YOGCLGLASA-N 1 0 281.381 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCC(C)(C)[NH3+])n1 ZINC000843186726 631888649 /nfs/dbraw/zinc/88/86/49/631888649.db2.gz CRUKPSQWYYTKIV-UHFFFAOYSA-N 1 0 290.323 2.623 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000814651362 632104001 /nfs/dbraw/zinc/10/40/01/632104001.db2.gz GWNXPVGMRWNAGB-INCPQMAJSA-N 1 0 290.363 2.797 20 5 CFBDRO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000814928397 632169208 /nfs/dbraw/zinc/16/92/08/632169208.db2.gz HEWUVGPROMPUTO-AOOOYVTPSA-N 1 0 283.759 2.777 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844376026 632185018 /nfs/dbraw/zinc/18/50/18/632185018.db2.gz BPQFEIJYJPDNLT-ZWNOBZJWSA-N 1 0 284.331 2.621 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844376024 632185365 /nfs/dbraw/zinc/18/53/65/632185365.db2.gz BPQFEIJYJPDNLT-GXFFZTMASA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815586594 632293074 /nfs/dbraw/zinc/29/30/74/632293074.db2.gz MOXVBFMPKXAMAD-VLRKGOCCSA-N 1 0 293.367 2.521 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc(F)c2)cc1 ZINC000105908948 632435064 /nfs/dbraw/zinc/43/50/64/632435064.db2.gz KDDUYRQBYAZRHS-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660712 632506224 /nfs/dbraw/zinc/50/62/24/632506224.db2.gz MWYAWDROSLGAKW-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845666987 632512489 /nfs/dbraw/zinc/51/24/89/632512489.db2.gz BXPZQTKRIQBAMK-LBPRGKRZSA-N 1 0 292.335 2.544 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845737469 632542950 /nfs/dbraw/zinc/54/29/50/632542950.db2.gz HXMXDDYQEIVARG-ZDUSSCGKSA-N 1 0 292.335 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817299400 632599111 /nfs/dbraw/zinc/59/91/11/632599111.db2.gz ZFAZPJSPFIEVFC-LBPRGKRZSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412871 632624396 /nfs/dbraw/zinc/62/43/96/632624396.db2.gz PWRVJLLBINFVEL-ZYHUDNBSSA-N 1 0 298.770 2.699 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC1(CO)CCC1 ZINC000846103259 632631645 /nfs/dbraw/zinc/63/16/45/632631645.db2.gz VIPQVKKFTGTJPE-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1Cl ZINC000817864653 632713765 /nfs/dbraw/zinc/71/37/65/632713765.db2.gz AKFQNNMJBGWQNR-UHFFFAOYSA-N 1 0 295.770 2.576 20 5 CFBDRO [NH3+][C@H]1CCCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907491 632729334 /nfs/dbraw/zinc/72/93/34/632729334.db2.gz PORKWSJFAUXDGC-UONOGXRCSA-N 1 0 297.786 2.998 20 5 CFBDRO CC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000846952523 632857019 /nfs/dbraw/zinc/85/70/19/632857019.db2.gz ZVYRBOLANHYRRY-LLVKDONJSA-N 1 0 276.336 2.957 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000818979435 632920352 /nfs/dbraw/zinc/92/03/52/632920352.db2.gz MCAGCZYASUTCDD-SWLSCSKDSA-N 1 0 276.336 2.574 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000819222736 633025133 /nfs/dbraw/zinc/02/51/33/633025133.db2.gz WVKHZTPWVWYINH-KBPBESRZSA-N 1 0 296.392 2.504 20 5 CFBDRO CSCCCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819242885 633035457 /nfs/dbraw/zinc/03/54/57/633035457.db2.gz QBRMEACSXSICLO-CQSZACIVSA-N 1 0 298.408 2.751 20 5 CFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819351326 633100704 /nfs/dbraw/zinc/10/07/04/633100704.db2.gz ZKDRBCOZFZBEFY-AEGPPILISA-N 1 0 278.352 2.510 20 5 CFBDRO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857081269 635926430 /nfs/dbraw/zinc/92/64/30/635926430.db2.gz DKSYTYZSMBCFDF-HSOILSAZSA-N 1 0 263.341 2.874 20 5 CFBDRO C[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCC1 ZINC000848481344 633264522 /nfs/dbraw/zinc/26/45/22/633264522.db2.gz XXIPXPRNSDDLTM-UHFFFAOYSA-N 1 0 286.335 2.900 20 5 CFBDRO Nc1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000848786454 633343381 /nfs/dbraw/zinc/34/33/81/633343381.db2.gz QRVBHKOOHXEAEN-JSGCOSHPSA-N 1 0 290.367 2.606 20 5 CFBDRO Cc1ccc(CNC(=[NH2+])NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000849071884 633483005 /nfs/dbraw/zinc/48/30/05/633483005.db2.gz NMCWKELYDJEIMH-UHFFFAOYSA-N 1 0 298.346 2.717 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCC2CCC2)c1 ZINC000849331105 633620661 /nfs/dbraw/zinc/62/06/61/633620661.db2.gz KAIXXGOJDHRXMW-OAHLLOKOSA-N 1 0 278.352 2.798 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C=CCC1 ZINC000850358191 633953769 /nfs/dbraw/zinc/95/37/69/633953769.db2.gz JTWFVSAIIWFXMH-LBPRGKRZSA-N 1 0 262.309 2.802 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000850388574 633971705 /nfs/dbraw/zinc/97/17/05/633971705.db2.gz OCVVNSYSXDUFJG-STQMWFEESA-N 1 0 296.754 2.641 20 5 CFBDRO CC(C)[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)[NH3+] ZINC000109504844 634069769 /nfs/dbraw/zinc/06/97/69/634069769.db2.gz WIYLMQXFZPVINN-CABZTGNLSA-N 1 0 290.323 2.732 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000111165770 634936724 /nfs/dbraw/zinc/93/67/24/634936724.db2.gz DIDHZEGIDQUNRX-LLVKDONJSA-N 1 0 276.340 2.880 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000853555587 635035650 /nfs/dbraw/zinc/03/56/50/635035650.db2.gz ZBVFRTXXVQOIQT-CYBMUJFWSA-N 1 0 278.356 2.651 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2)c1 ZINC000853575278 635040196 /nfs/dbraw/zinc/04/01/96/635040196.db2.gz CXWMGCWDLRGXQH-ZIAGYGMSSA-N 1 0 298.346 2.758 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000853746353 635091454 /nfs/dbraw/zinc/09/14/54/635091454.db2.gz IAKMPGZHCYALLE-LBPRGKRZSA-N 1 0 292.383 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860128443 636794212 /nfs/dbraw/zinc/79/42/12/636794212.db2.gz MWJNUAKLYDUYHT-CUOATXAZSA-N 1 0 296.754 2.593 20 5 CFBDRO C[C@@H](C[N@H+](C)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000863315377 637624608 /nfs/dbraw/zinc/62/46/08/637624608.db2.gz VDNAMXJMBLWURM-LBPRGKRZSA-N 1 0 280.372 2.897 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCC23CC3)cc1 ZINC000863588360 637704496 /nfs/dbraw/zinc/70/44/96/637704496.db2.gz MGUPGYZPGIQQCZ-HIFRSBDPSA-N 1 0 290.363 2.798 20 5 CFBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000863653238 637725840 /nfs/dbraw/zinc/72/58/40/637725840.db2.gz GDUVUCSRHBHWIR-LLVKDONJSA-N 1 0 289.335 2.634 20 5 CFBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000865807565 638584569 /nfs/dbraw/zinc/58/45/69/638584569.db2.gz VOAIOYVQRKNPJK-KRWDZBQOSA-N 1 0 297.358 2.871 20 5 CFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000865838812 638603526 /nfs/dbraw/zinc/60/35/26/638603526.db2.gz CVTVJGLFCMEMJW-HOSRBBHYSA-N 1 0 286.335 2.692 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000866112828 638742757 /nfs/dbraw/zinc/74/27/57/638742757.db2.gz LFCUQWLIQIXETQ-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO C[NH+](C)C1(C)CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000866147686 638757787 /nfs/dbraw/zinc/75/77/87/638757787.db2.gz VERDHGIYNCBNBV-UHFFFAOYSA-N 1 0 296.346 2.804 20 5 CFBDRO C[NH+](C)C1(C)CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000866147689 638758027 /nfs/dbraw/zinc/75/80/27/638758027.db2.gz VGVRYSYANUIGSB-UHFFFAOYSA-N 1 0 292.383 2.852 20 5 CFBDRO Cc1cc(NC2CCC(C)([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000866148448 638758507 /nfs/dbraw/zinc/75/85/07/638758507.db2.gz BJCFZKQIZNPSAJ-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207716 638770336 /nfs/dbraw/zinc/77/03/36/638770336.db2.gz JDYATYMFMBMXQR-JQWIXIFHSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207940 638770940 /nfs/dbraw/zinc/77/09/40/638770940.db2.gz RUYKSSNBSFTBBZ-JQWIXIFHSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866207944 638770978 /nfs/dbraw/zinc/77/09/78/638770978.db2.gz RUYKSSNBSFTBBZ-ZYHUDNBSSA-N 1 0 295.770 2.779 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866247949 638779533 /nfs/dbraw/zinc/77/95/33/638779533.db2.gz HTQORKWOYUZDSY-BXUZGUMPSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000866250597 638779815 /nfs/dbraw/zinc/77/98/15/638779815.db2.gz FWJQCJCEENGKJA-SECBINFHSA-N 1 0 295.339 2.911 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCCC1 ZINC000866265549 638784323 /nfs/dbraw/zinc/78/43/23/638784323.db2.gz NKRMQGROFVJWHG-LLVKDONJSA-N 1 0 296.342 2.560 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000866265984 638784372 /nfs/dbraw/zinc/78/43/72/638784372.db2.gz AQGXLBAHAGFLMB-DGFSRKRXSA-N 1 0 296.342 2.558 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000866269128 638785335 /nfs/dbraw/zinc/78/53/35/638785335.db2.gz BICJNTWUZRPFHD-WOPDTQHZSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269125 638785349 /nfs/dbraw/zinc/78/53/49/638785349.db2.gz BICJNTWUZRPFHD-SRVKXCTJSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000866281868 638788972 /nfs/dbraw/zinc/78/89/72/638788972.db2.gz VOVFPKSROMTJRX-ABAIWWIYSA-N 1 0 296.342 2.824 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866361624 638804065 /nfs/dbraw/zinc/80/40/65/638804065.db2.gz QVRFXVPEMBYPJF-ZWNOBZJWSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866365165 638805529 /nfs/dbraw/zinc/80/55/29/638805529.db2.gz WOWBZZDAKGIBMT-RYUDHWBXSA-N 1 0 298.358 2.663 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368184 638806432 /nfs/dbraw/zinc/80/64/32/638806432.db2.gz XWTJYCGUXHMHDA-WDBKCZKBSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000866368909 638806896 /nfs/dbraw/zinc/80/68/96/638806896.db2.gz FYKSVWJRVNUNPC-GYSYKLTISA-N 1 0 296.342 2.822 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866415325 638817759 /nfs/dbraw/zinc/81/77/59/638817759.db2.gz RZWPYKJPTMBQKW-FZMZJTMJSA-N 1 0 298.358 2.806 20 5 CFBDRO Cc1cccc(C(=O)O[C@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000870570594 639728993 /nfs/dbraw/zinc/72/89/93/639728993.db2.gz DZGHXKDPEHZWNW-CYBMUJFWSA-N 1 0 294.351 2.646 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028447 641558914 /nfs/dbraw/zinc/55/89/14/641558914.db2.gz PQCXWWMAGRSEEJ-WDEREUQCSA-N 1 0 282.315 2.954 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000872030812 641560150 /nfs/dbraw/zinc/56/01/50/641560150.db2.gz CPBUTQHVRZUHGU-MNOVXSKESA-N 1 0 295.408 2.671 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030464 641560344 /nfs/dbraw/zinc/56/03/44/641560344.db2.gz FWBVPSXJSXYADC-VHSXEESVSA-N 1 0 270.304 2.810 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034672 641565383 /nfs/dbraw/zinc/56/53/83/641565383.db2.gz ILCSGFYJJIVJCG-HZMBPMFUSA-N 1 0 284.331 2.792 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)O ZINC000872035449 641566958 /nfs/dbraw/zinc/56/69/58/641566958.db2.gz MOJKDTVBVQOHJI-VIFPVBQESA-N 1 0 284.381 2.738 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000872039400 641573228 /nfs/dbraw/zinc/57/32/28/641573228.db2.gz SEDATEYEIPVXGV-CABCVRRESA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041101 641575593 /nfs/dbraw/zinc/57/55/93/641575593.db2.gz GDSIZZWPADJMFP-UWVGGRQHSA-N 1 0 270.304 2.546 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049741 641583811 /nfs/dbraw/zinc/58/38/11/641583811.db2.gz UWLJABYURXKVRG-WDEREUQCSA-N 1 0 284.331 2.936 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872051067 641585001 /nfs/dbraw/zinc/58/50/01/641585001.db2.gz FODXQXLAIJBXAG-BXKDBHETSA-N 1 0 282.315 2.810 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872073206 641604330 /nfs/dbraw/zinc/60/43/30/641604330.db2.gz OROOCLYXBRCPOD-NXEZZACHSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074889 641607180 /nfs/dbraw/zinc/60/71/80/641607180.db2.gz JXIFONSJMWJXSZ-UWVGGRQHSA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085075 641618721 /nfs/dbraw/zinc/61/87/21/641618721.db2.gz NGPSZDYGADSMDV-JOYOIKCWSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089731 641623445 /nfs/dbraw/zinc/62/34/45/641623445.db2.gz CVXSCBNFUAGWAZ-DRCTWCGVSA-N 1 0 294.326 2.952 20 5 CFBDRO CCC[N@@H+]1CC[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089508 641623629 /nfs/dbraw/zinc/62/36/29/641623629.db2.gz YYFPKGHBNYVCCY-NEPJUHHUSA-N 1 0 295.358 2.869 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H](O)C1)CCCC2 ZINC000872126260 641654313 /nfs/dbraw/zinc/65/43/13/641654313.db2.gz KCURMLUTKXNHIW-DJSGYFEHSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129837 641658279 /nfs/dbraw/zinc/65/82/79/641658279.db2.gz XXYJNDFPIFIVHI-NQBHXWOUSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[C@H]2C=CCC2)c1 ZINC000872248821 641716573 /nfs/dbraw/zinc/71/65/73/641716573.db2.gz WXIQFZXKEFKZDH-XJKSGUPXSA-N 1 0 290.363 2.964 20 5 CFBDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872257751 641720989 /nfs/dbraw/zinc/72/09/89/641720989.db2.gz VWMOPNBZVOBAIS-CFVMTHIKSA-N 1 0 290.363 2.576 20 5 CFBDRO Cc1nn(C[N@@H+](C)C[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000872819326 641945722 /nfs/dbraw/zinc/94/57/22/641945722.db2.gz XYRIVRXTWRMAKD-JTQLQIEISA-N 1 0 268.361 2.671 20 5 CFBDRO Cc1noc(C)c1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873048328 641994965 /nfs/dbraw/zinc/99/49/65/641994965.db2.gz XBYIDCSXNGLQGC-UHFFFAOYSA-N 1 0 289.335 2.840 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000873109761 642013985 /nfs/dbraw/zinc/01/39/85/642013985.db2.gz CMCQZKLVJIJMOQ-HIFRSBDPSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1(O)CCC1 ZINC000873125280 642020019 /nfs/dbraw/zinc/02/00/19/642020019.db2.gz YOBIMQWPDCIION-UHFFFAOYSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1c(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873133594 642024226 /nfs/dbraw/zinc/02/42/26/642024226.db2.gz FJGKRDWBDJONNM-AWEZNQCLSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cccc1[N+](=O)[O-] ZINC000873156823 642039540 /nfs/dbraw/zinc/03/95/40/642039540.db2.gz YZPJHRDGFFGYLY-DUVNUKRYSA-N 1 0 290.363 2.950 20 5 CFBDRO [NH3+][C@@H]1CCCCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000873216813 642071168 /nfs/dbraw/zinc/07/11/68/642071168.db2.gz YKMWFNIRBZIAHQ-GFCCVEGCSA-N 1 0 297.786 2.952 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000873231100 642083699 /nfs/dbraw/zinc/08/36/99/642083699.db2.gz HDSKIVOTWGRNLL-ZIAGYGMSSA-N 1 0 295.770 2.622 20 5 CFBDRO CC(C)C[N@H+](Cn1nccc1[N+](=O)[O-])CC(C)(C)C ZINC000124549806 642220431 /nfs/dbraw/zinc/22/04/31/642220431.db2.gz PFMMZLIQBZKHBB-UHFFFAOYSA-N 1 0 268.361 2.753 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000125234103 642564338 /nfs/dbraw/zinc/56/43/38/642564338.db2.gz AUUMRCHKGDEVMK-GWCFXTLKSA-N 1 0 276.292 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000876680908 642970808 /nfs/dbraw/zinc/97/08/08/642970808.db2.gz VIEGXKVROUEFOL-CYBMUJFWSA-N 1 0 292.379 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C)(O)CC1 ZINC000876746857 642991601 /nfs/dbraw/zinc/99/16/01/642991601.db2.gz QEXFPXHTJZRIQD-UHFFFAOYSA-N 1 0 278.352 2.558 20 5 CFBDRO Cc1ccccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876882733 643049489 /nfs/dbraw/zinc/04/94/89/643049489.db2.gz PYPGADAKWQAGPP-UHFFFAOYSA-N 1 0 286.335 2.593 20 5 CFBDRO CCC[C@@H](CC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877021016 643107068 /nfs/dbraw/zinc/10/70/68/643107068.db2.gz LINJIWBSENXMPN-VOMCLLRMSA-N 1 0 266.345 2.663 20 5 CFBDRO CC(C)(C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877045381 643118646 /nfs/dbraw/zinc/11/86/46/643118646.db2.gz BFWZZCNYHHZPFJ-UHFFFAOYSA-N 1 0 280.372 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000877169904 643186869 /nfs/dbraw/zinc/18/68/69/643186869.db2.gz HGTHNWIZGCSHQK-UONOGXRCSA-N 1 0 292.379 2.804 20 5 CFBDRO CCC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877667367 643442951 /nfs/dbraw/zinc/44/29/51/643442951.db2.gz OBYHPHYDQIXRJK-LLVKDONJSA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCC3CC3)C2)c1 ZINC000877730155 643490719 /nfs/dbraw/zinc/49/07/19/643490719.db2.gz OEOGJNKTKPHJRV-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000877796276 643563329 /nfs/dbraw/zinc/56/33/29/643563329.db2.gz BSGVDBUVVZFICI-GFCCVEGCSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000126727084 643585678 /nfs/dbraw/zinc/58/56/78/643585678.db2.gz XOMZRZIDLFWWAM-XHDPSFHLSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000090539000 650876098 /nfs/dbraw/zinc/87/60/98/650876098.db2.gz DXADXZLPQGJFCJ-JTQLQIEISA-N 1 0 280.353 2.512 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000878416586 643883816 /nfs/dbraw/zinc/88/38/16/643883816.db2.gz MDXCKTOIWOUJNE-SECBINFHSA-N 1 0 280.353 2.549 20 5 CFBDRO Cc1ccc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000878475334 643907853 /nfs/dbraw/zinc/90/78/53/643907853.db2.gz MCUXRDLGKKBLRP-RYUDHWBXSA-N 1 0 278.352 2.637 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879530230 644309051 /nfs/dbraw/zinc/30/90/51/644309051.db2.gz PZHPOXOPXKCGHK-LZWOXQAQSA-N 1 0 288.347 2.526 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000127934649 644378386 /nfs/dbraw/zinc/37/83/86/644378386.db2.gz IBSFIRQHGHICPZ-BXKDBHETSA-N 1 0 288.307 2.705 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880231980 644591979 /nfs/dbraw/zinc/59/19/79/644591979.db2.gz CKHNWOKTHDNACI-LBPRGKRZSA-N 1 0 282.315 2.785 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1C(C)=O ZINC000882242256 645252017 /nfs/dbraw/zinc/25/20/17/645252017.db2.gz SKPNAFAMSKXEEU-UHFFFAOYSA-N 1 0 293.367 2.575 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882382854 645295391 /nfs/dbraw/zinc/29/53/91/645295391.db2.gz XPSZZIZGVYJKSA-SNVBAGLBSA-N 1 0 284.335 2.661 20 5 CFBDRO CC(=O)c1c(NCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882598974 645379752 /nfs/dbraw/zinc/37/97/52/645379752.db2.gz OBKUZRVXSJFYON-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000130037386 645443473 /nfs/dbraw/zinc/44/34/73/645443473.db2.gz FNWQZQAUPLVYQI-VIFPVBQESA-N 1 0 263.322 2.902 20 5 CFBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000882960424 645530689 /nfs/dbraw/zinc/53/06/89/645530689.db2.gz JLEPILOJTSWOAK-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000882963269 645531541 /nfs/dbraw/zinc/53/15/41/645531541.db2.gz SYXKAHMFPGRQEY-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000882966098 645532962 /nfs/dbraw/zinc/53/29/62/645532962.db2.gz VDRKKYABQHOUFV-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)CCSC)cc1[N+](=O)[O-] ZINC000130777773 645569467 /nfs/dbraw/zinc/56/94/67/645569467.db2.gz HBPQFZKWYGRQNG-JTQLQIEISA-N 1 0 284.381 2.835 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883245726 645692985 /nfs/dbraw/zinc/69/29/85/645692985.db2.gz QHQMZKGSDCJYLR-MNOVXSKESA-N 1 0 261.325 2.794 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000883270217 645712455 /nfs/dbraw/zinc/71/24/55/645712455.db2.gz ISGSGRWSOBPWSY-OBJOEFQTSA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000883273933 645715403 /nfs/dbraw/zinc/71/54/03/645715403.db2.gz WFZNDNMPOISHQD-DCAQKATOSA-N 1 0 282.315 2.810 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@@H]2CO)ccc1Cl ZINC000133334187 646074269 /nfs/dbraw/zinc/07/42/69/646074269.db2.gz OPCPIBWKFYZUFN-GFCCVEGCSA-N 1 0 298.770 2.985 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000800102669 646142692 /nfs/dbraw/zinc/14/26/92/646142692.db2.gz DJHGPLXTMBHKKC-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000800152210 646158770 /nfs/dbraw/zinc/15/87/70/646158770.db2.gz WQZQLHCONBKNRW-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000886038478 646834337 /nfs/dbraw/zinc/83/43/37/646834337.db2.gz WJMBURXKDLNGJA-OLZOCXBDSA-N 1 0 293.392 2.850 20 5 CFBDRO Cn1cccc1[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886046860 646841194 /nfs/dbraw/zinc/84/11/94/646841194.db2.gz RAQOFHSTUASVTP-AWEZNQCLSA-N 1 0 286.335 2.665 20 5 CFBDRO CC[C@H](c1ccncc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886093563 646863374 /nfs/dbraw/zinc/86/33/74/646863374.db2.gz COLVQKAXMSINEC-CQSZACIVSA-N 1 0 286.335 2.968 20 5 CFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886107731 646875518 /nfs/dbraw/zinc/87/55/18/646875518.db2.gz YOMKTMPISLCGJI-QWRGUYRKSA-N 1 0 263.341 2.904 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000886111558 646877376 /nfs/dbraw/zinc/87/73/76/646877376.db2.gz DPBQSCMIJUDOEX-JGGQBBKZSA-N 1 0 290.363 2.980 20 5 CFBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886279436 646949072 /nfs/dbraw/zinc/94/90/72/646949072.db2.gz YUKIFFWMNGHDCX-XHDPSFHLSA-N 1 0 283.331 2.808 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000886290659 646956337 /nfs/dbraw/zinc/95/63/37/646956337.db2.gz KQAPSRNMINQFFK-AWEZNQCLSA-N 1 0 276.336 2.644 20 5 CFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000886615866 647069038 /nfs/dbraw/zinc/06/90/38/647069038.db2.gz PPBMHHXMPORYDM-UHTWSYAYSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886832545 647156642 /nfs/dbraw/zinc/15/66/42/647156642.db2.gz JQLKHUXVQLHMMB-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886865998 647163689 /nfs/dbraw/zinc/16/36/89/647163689.db2.gz ZYVFPPFGMPPABM-INIZCTEOSA-N 1 0 289.379 2.560 20 5 CFBDRO Cc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000889879959 647688322 /nfs/dbraw/zinc/68/83/22/647688322.db2.gz RCDZKFUELGGOKD-RYUDHWBXSA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@H]([NH3+])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925595429 648231900 /nfs/dbraw/zinc/23/19/00/648231900.db2.gz RZKJYWSJHYAVRA-BLLLJJGKSA-N 1 0 285.347 2.773 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113405 648407599 /nfs/dbraw/zinc/40/75/99/648407599.db2.gz POHORIIHUWUNTH-MFKMUULPSA-N 1 0 298.770 2.805 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc([N+](=O)[O-])cc1 ZINC000926941151 648665426 /nfs/dbraw/zinc/66/54/26/648665426.db2.gz CPSACPIQKGGOSY-UJDVCPFMSA-N 1 0 288.347 2.837 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000927026248 648686992 /nfs/dbraw/zinc/68/69/92/648686992.db2.gz ZVLCSPVTOWPCOL-DGCLKSJQSA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035254662 649057223 /nfs/dbraw/zinc/05/72/23/649057223.db2.gz CIEBPILWLJBNGX-NSHDSACASA-N 1 0 260.293 2.909 20 5 CFBDRO CC(=O)NCCCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000930235859 649211301 /nfs/dbraw/zinc/21/13/01/649211301.db2.gz RGBLGUQTCYLZJA-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO COC/C(C)=C/C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354626 649236275 /nfs/dbraw/zinc/23/62/75/649236275.db2.gz RBMRHEULPKDGNC-NTUHNPAUSA-N 1 0 278.352 2.662 20 5 CFBDRO C[N@H+](CCc1ccns1)CCc1ccccc1[N+](=O)[O-] ZINC000930438912 649247454 /nfs/dbraw/zinc/24/74/54/649247454.db2.gz FNPWCUQQKRACFN-UHFFFAOYSA-N 1 0 291.376 2.768 20 5 CFBDRO COC/C(C)=C/C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930439490 649247608 /nfs/dbraw/zinc/24/76/08/649247608.db2.gz IMJOJUDYNIYJTC-MDWZMJQESA-N 1 0 278.352 2.662 20 5 CFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000930579131 649279032 /nfs/dbraw/zinc/27/90/32/649279032.db2.gz RXTWGMFFQOZTMV-ZETCQYMHSA-N 1 0 291.120 2.516 20 5 CFBDRO O=[N+]([O-])CCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000930825893 649332356 /nfs/dbraw/zinc/33/23/56/649332356.db2.gz ONYXUBQMJGRBQZ-CQSZACIVSA-N 1 0 258.321 2.656 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931043697 649370480 /nfs/dbraw/zinc/37/04/80/649370480.db2.gz UFAPEOFXTSFGDO-MBNYWOFBSA-N 1 0 277.368 2.680 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000932361865 649585263 /nfs/dbraw/zinc/58/52/63/649585263.db2.gz YRFRMRPSUXCGBS-HNNXBMFYSA-N 1 0 298.346 2.668 20 5 CFBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000932563910 649619866 /nfs/dbraw/zinc/61/98/66/649619866.db2.gz OXZUBIZUZZMVQB-NSHDSACASA-N 1 0 292.314 2.590 20 5 CFBDRO Cc1cccc(C)c1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000933765488 649719935 /nfs/dbraw/zinc/71/99/35/649719935.db2.gz UKKNPILZDGAGGG-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO C[C@H]1CSCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934298031 649769898 /nfs/dbraw/zinc/76/98/98/649769898.db2.gz RTTJIVGGZFBPIG-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@H]1CSCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000934301049 649770561 /nfs/dbraw/zinc/77/05/61/649770561.db2.gz RWFFDCZTVYWSQI-GFCCVEGCSA-N 1 0 280.393 2.965 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934668077 649813813 /nfs/dbraw/zinc/81/38/13/649813813.db2.gz SJLZDDZTOKDAGK-UHFFFAOYSA-N 1 0 272.345 2.965 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000934672739 649814073 /nfs/dbraw/zinc/81/40/73/649814073.db2.gz BIONFTUHVSIQET-UHFFFAOYSA-N 1 0 260.384 2.888 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000723991040 770735122 /nfs/dbraw/zinc/73/51/22/770735122.db2.gz YSZINPNPFSIQGX-UONOGXRCSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001167625064 773196100 /nfs/dbraw/zinc/19/61/00/773196100.db2.gz LQVLCPBPUQDGRL-UHFFFAOYSA-N 1 0 292.383 2.783 20 5 CFBDRO CCOC(=O)[C@@H](O[C@@H](C)C[N+](C)(C)C)c1ccccc1F ZINC001224152903 775112761 /nfs/dbraw/zinc/11/27/61/775112761.db2.gz FAXBSZYJRYZGDE-WFASDCNBSA-N 1 0 298.378 2.541 20 5 CFBDRO CCOP(=O)(CCCO[C@H](C)C[N+](C)(C)C)OCC ZINC001224762230 775268816 /nfs/dbraw/zinc/26/88/16/775268816.db2.gz HKGLUCUXNZUZRD-CYBMUJFWSA-N 1 0 296.368 2.754 20 5 CFBDRO C[N+](C)(C)CCO[C@@H]1Cc2ccc(Br)cc2C1 ZINC001224771743 775269189 /nfs/dbraw/zinc/26/91/89/775269189.db2.gz RLSMOSUASCVOBW-CQSZACIVSA-N 1 0 299.232 2.639 20 5 CFBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1Cl ZINC001217970861 775407825 /nfs/dbraw/zinc/40/78/25/775407825.db2.gz COZRKBIUFDPHAB-GZMMTYOYSA-N 1 0 288.706 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217971475 775409734 /nfs/dbraw/zinc/40/97/34/775409734.db2.gz IHVHHUMQDLZZNF-SKDRFNHKSA-N 1 0 288.706 2.717 20 5 CFBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001217983381 775419675 /nfs/dbraw/zinc/41/96/75/775419675.db2.gz BKTCIXMVPVCQBY-SMDDNHRTSA-N 1 0 264.325 2.670 20 5 CFBDRO COC(=O)c1ccc(Cl)cc1O[C@H](C)C[N+](C)(C)C ZINC001225382412 775436869 /nfs/dbraw/zinc/43/68/69/775436869.db2.gz LVHRWFCEQKITAW-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO CCc1cc(C(=O)OC)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225417351 775447398 /nfs/dbraw/zinc/44/73/98/775447398.db2.gz CNPZHJJBIRCCOV-LBPRGKRZSA-N 1 0 280.388 2.509 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001218024034 775451275 /nfs/dbraw/zinc/45/12/75/775451275.db2.gz LXUDQMZYHQTVRD-BXUZGUMPSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225430450 775454206 /nfs/dbraw/zinc/45/42/06/775454206.db2.gz BUNBYJRIZYAYHS-VIFPVBQESA-N 1 0 285.731 2.505 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225578634 775509444 /nfs/dbraw/zinc/50/94/44/775509444.db2.gz OPYAVPDBIPTMEQ-HAQNSBGRSA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)nc(Cl)c1 ZINC001225603950 775520611 /nfs/dbraw/zinc/52/06/11/775520611.db2.gz HFUPXDBFNBEUBT-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)CC2)ccc1Cl ZINC000293090856 775555179 /nfs/dbraw/zinc/55/51/79/775555179.db2.gz KIRTZEWCWDBFPT-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO COc1ccc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001225770218 775587401 /nfs/dbraw/zinc/58/74/01/775587401.db2.gz SZCLNDSBKGKKLC-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC001225769329 775587836 /nfs/dbraw/zinc/58/78/36/775587836.db2.gz JRTMGUDZSNWFRA-NSHDSACASA-N 1 0 282.340 2.713 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(F)c(F)cc1[N+](=O)[O-] ZINC001225778359 775591110 /nfs/dbraw/zinc/59/11/10/775591110.db2.gz HVPLTPPAZPICGC-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)cc1F ZINC001225912213 775632539 /nfs/dbraw/zinc/63/25/39/775632539.db2.gz GGFFMWIKZLBPKN-UHFFFAOYSA-N 1 0 280.299 2.740 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001225918698 775634935 /nfs/dbraw/zinc/63/49/35/775634935.db2.gz LHHJCEGBJNPMGQ-QMMMGPOBSA-N 1 0 292.257 2.943 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218401327 775635068 /nfs/dbraw/zinc/63/50/68/775635068.db2.gz GNMVNKQQEXDXRZ-WCQYABFASA-N 1 0 264.325 2.731 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195934 775734584 /nfs/dbraw/zinc/73/45/84/775734584.db2.gz NEFBHVHEYVTKBN-MRVPVSSYSA-N 1 0 288.706 2.860 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-n1cccc1 ZINC001226243739 775753220 /nfs/dbraw/zinc/75/32/20/775753220.db2.gz MXSJFPXSOBYCHQ-CQSZACIVSA-N 1 0 259.373 2.951 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270547 775763694 /nfs/dbraw/zinc/76/36/94/775763694.db2.gz SDHIOMSDYDFQNB-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301277 775772771 /nfs/dbraw/zinc/77/27/71/775772771.db2.gz IRWZGAKXDQPXQI-VIFPVBQESA-N 1 0 290.241 2.697 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226332767 775782207 /nfs/dbraw/zinc/78/22/07/775782207.db2.gz DUHALGLHWWHFPQ-UHFFFAOYSA-N 1 0 280.324 2.552 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226339565 775785266 /nfs/dbraw/zinc/78/52/66/775785266.db2.gz ISYRXQSRZQRRCA-UHFFFAOYSA-N 1 0 294.351 2.942 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001226446569 775825235 /nfs/dbraw/zinc/82/52/35/775825235.db2.gz NBJXNADDRGSRPX-CYBMUJFWSA-N 1 0 294.351 2.855 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(OC2CCC([NH+](C)C)CC2)c1 ZINC001226445996 775825826 /nfs/dbraw/zinc/82/58/26/775825826.db2.gz KODUYSDBJPZIAI-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO Cc1c(C)c(=O)oc2cc(O[C@H](C)C[N+](C)(C)C)ccc12 ZINC001226476696 775839492 /nfs/dbraw/zinc/83/94/92/775839492.db2.gz VENMWUFNEYQHJU-LLVKDONJSA-N 1 0 290.383 2.883 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccccc2)nn1 ZINC001226504361 775851359 /nfs/dbraw/zinc/85/13/59/775851359.db2.gz ZLGJFWXUMLTPBJ-ZDUSSCGKSA-N 1 0 272.372 2.617 20 5 CFBDRO CCCC[NH+](CCCC)CCNc1ncc([N+](=O)[O-])cn1 ZINC001167731879 775857224 /nfs/dbraw/zinc/85/72/24/775857224.db2.gz AWVOWLBNBPAKQV-UHFFFAOYSA-N 1 0 295.387 2.699 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001226530099 775862718 /nfs/dbraw/zinc/86/27/18/775862718.db2.gz VCGFSPXYBLPWCH-CYBMUJFWSA-N 1 0 292.335 2.661 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NC(C)(C)CCO ZINC001167739719 775938377 /nfs/dbraw/zinc/93/83/77/775938377.db2.gz NECWUWSCXRYMMU-UHFFFAOYSA-N 1 0 265.421 2.856 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743825 775944049 /nfs/dbraw/zinc/94/40/49/775944049.db2.gz IILQKFGOXUDPSA-JTQLQIEISA-N 1 0 286.278 2.735 20 5 CFBDRO Cc1ncc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001226864986 775996249 /nfs/dbraw/zinc/99/62/49/775996249.db2.gz LAAYEZCSFSFDEW-SECBINFHSA-N 1 0 288.209 2.626 20 5 CFBDRO Cc1ccc(O[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226951145 776031669 /nfs/dbraw/zinc/03/16/69/776031669.db2.gz UAQMZEABUOKNKT-ZDUSSCGKSA-N 1 0 264.325 2.765 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2c(C)cccc2[N+](=O)[O-])C1 ZINC001226970643 776038124 /nfs/dbraw/zinc/03/81/24/776038124.db2.gz BHKVFVDNKUSYAV-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2C)C1 ZINC001226991874 776053127 /nfs/dbraw/zinc/05/31/27/776053127.db2.gz GRECJUQYVISKBO-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001226995054 776054330 /nfs/dbraw/zinc/05/43/30/776054330.db2.gz KDJNRGODYSGWRK-IMRBUKKESA-N 1 0 276.336 2.907 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233737 776147832 /nfs/dbraw/zinc/14/78/32/776147832.db2.gz GBGOGYUTYRTRST-LLVKDONJSA-N 1 0 291.307 2.599 20 5 CFBDRO Cc1cc(=O)oc2cc(O[C@H](C)C[N+](C)(C)C)ccc12 ZINC001227542928 776225953 /nfs/dbraw/zinc/22/59/53/776225953.db2.gz OYLGNKPVLZETAD-GFCCVEGCSA-N 1 0 276.356 2.575 20 5 CFBDRO CC(C)OC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001227615638 776245594 /nfs/dbraw/zinc/24/55/94/776245594.db2.gz ZPICIVSSWDCCSK-ZDUSSCGKSA-N 1 0 280.388 2.725 20 5 CFBDRO C[N@@H+]1CCC[C@@H](OCc2cccc([N+](=O)[O-])c2)CC1 ZINC001222769200 776296763 /nfs/dbraw/zinc/29/67/63/776296763.db2.gz QRDCWWBWDRHIBU-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791065 776306036 /nfs/dbraw/zinc/30/60/36/776306036.db2.gz IMJGRZBBEYEIQS-OAHLLOKOSA-N 1 0 278.352 2.984 20 5 CFBDRO CC[N@@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791842 776307972 /nfs/dbraw/zinc/30/79/72/776307972.db2.gz XGRPKGYSRPPTSO-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CCOc1cc(F)c(O[C@H](C)C[N+](C)(C)C)c(F)c1 ZINC001227849544 776308475 /nfs/dbraw/zinc/30/84/75/776308475.db2.gz AZGDHEKZJNIQFO-SNVBAGLBSA-N 1 0 274.331 2.837 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228000822 776356439 /nfs/dbraw/zinc/35/64/39/776356439.db2.gz PUPZESYFGQJHEP-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228000419 776356630 /nfs/dbraw/zinc/35/66/30/776356630.db2.gz KTZHFXMUWQXMFE-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO CN1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228155517 776412386 /nfs/dbraw/zinc/41/23/86/776412386.db2.gz WXXFTKCZMLOBRO-SSDOTTSWSA-N 1 0 291.134 2.985 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)cc1Br ZINC001228205936 776421372 /nfs/dbraw/zinc/42/13/72/776421372.db2.gz MLJRWYQXFSVOOP-SECBINFHSA-O 1 0 289.193 2.628 20 5 CFBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001228450494 776495224 /nfs/dbraw/zinc/49/52/24/776495224.db2.gz KVIVIIMZGLWBPP-NSHDSACASA-N 1 0 295.359 2.579 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)n(-c2ccccc2)n1 ZINC001228716650 776583147 /nfs/dbraw/zinc/58/31/47/776583147.db2.gz JDLHQFOUGVQIBQ-CQSZACIVSA-N 1 0 274.388 2.654 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937498 776662862 /nfs/dbraw/zinc/66/28/62/776662862.db2.gz GFZWCUQDNWBYQL-JTQLQIEISA-N 1 0 299.758 2.895 20 5 CFBDRO CC(=O)c1c(C)cccc1O[C@H](C)C[N+](C)(C)C ZINC001228991795 776681068 /nfs/dbraw/zinc/68/10/68/776681068.db2.gz GLGPQUILOUGUQZ-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2n[nH]cc2c1Cl ZINC001229179325 776745784 /nfs/dbraw/zinc/74/57/84/776745784.db2.gz HQAWXNCHVDZXHD-SECBINFHSA-N 1 0 268.768 2.690 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229382120 776796996 /nfs/dbraw/zinc/79/69/96/776796996.db2.gz ZNYABKHYPCZDHM-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001229750901 776887395 /nfs/dbraw/zinc/88/73/95/776887395.db2.gz KJGWAZRLTLPMSC-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO N=C(Nc1cc2ccccc2c([N+](=O)[O-])c1)SCC[NH3+] ZINC001167916681 776888641 /nfs/dbraw/zinc/88/86/41/776888641.db2.gz VWDNARDWKIFPPL-UHFFFAOYSA-N 1 0 290.348 2.787 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229883495 776909850 /nfs/dbraw/zinc/90/98/50/776909850.db2.gz VUPXFHGJEJJIRQ-OAHLLOKOSA-N 1 0 276.336 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]ccc2c1F ZINC001230772577 777060289 /nfs/dbraw/zinc/06/02/89/777060289.db2.gz TUHKJQVYXSZBRE-JTQLQIEISA-N 1 0 251.325 2.781 20 5 CFBDRO CCc1cccc(C(=O)OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001230963113 777102661 /nfs/dbraw/zinc/10/26/61/777102661.db2.gz BUFWIBPHDZYVCQ-LBPRGKRZSA-N 1 0 280.388 2.509 20 5 CFBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)ccc1Cl ZINC001230987052 777110553 /nfs/dbraw/zinc/11/05/53/777110553.db2.gz ZCXOOSDLLGOESX-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO COc1cccc2c(O[C@H](C)C[N+](C)(C)C)ccnc12 ZINC001231054226 777126609 /nfs/dbraw/zinc/12/66/09/777126609.db2.gz LKKGXYQVOMHQOK-GFCCVEGCSA-N 1 0 275.372 2.717 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H](C)C[NH+](C)C ZINC001231059875 777128485 /nfs/dbraw/zinc/12/84/85/777128485.db2.gz LAVAMDPOLCRPHH-LLVKDONJSA-N 1 0 252.314 2.541 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CC[NH+](C)CC1 ZINC001231061200 777128218 /nfs/dbraw/zinc/12/82/18/777128218.db2.gz SQHOWWKDOUHNPE-UHFFFAOYSA-N 1 0 264.325 2.685 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001231059585 777128553 /nfs/dbraw/zinc/12/85/53/777128553.db2.gz IXWUAINPAMDIDJ-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO CCCOC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001231341095 777195852 /nfs/dbraw/zinc/19/58/52/777195852.db2.gz UFAGLCZYSMAWGI-CYBMUJFWSA-N 1 0 280.388 2.727 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)[nH]c2ccc(F)cc21 ZINC001231391546 777207457 /nfs/dbraw/zinc/20/74/57/777207457.db2.gz FYDMSVMHSKKAEV-JTQLQIEISA-O 1 0 279.335 2.553 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711688835 777228213 /nfs/dbraw/zinc/22/82/13/777228213.db2.gz DZSAVVSFLHHGHL-GXTWGEPZSA-N 1 0 261.325 2.600 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908083 777695653 /nfs/dbraw/zinc/69/56/53/777695653.db2.gz CBSYOWWMLCOEMT-QMMMGPOBSA-N 1 0 288.706 2.860 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000713927350 777879161 /nfs/dbraw/zinc/87/91/61/777879161.db2.gz SHHZPXHBDPQWLW-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO CC(=O)c1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233501432 777970892 /nfs/dbraw/zinc/97/08/92/777970892.db2.gz MRIKWGLYYIKPFE-CYBMUJFWSA-N 1 0 292.335 2.659 20 5 CFBDRO COc1cccc(Cl)c1O[C@H](C)C[N+](C)(C)C ZINC001233671622 778022258 /nfs/dbraw/zinc/02/22/58/778022258.db2.gz QCDCLLMAEGVHBA-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)cc(F)cc1[N+](=O)[O-])C2 ZINC001233695136 778041938 /nfs/dbraw/zinc/04/19/38/778041938.db2.gz JLRBAUOJENQIEK-JGPRNRPPSA-N 1 0 298.289 2.877 20 5 CFBDRO C[NH+]1CCC(Oc2c3cccnc3ccc2[N+](=O)[O-])CC1 ZINC001233779992 778075993 /nfs/dbraw/zinc/07/59/93/778075993.db2.gz WEHVORCJZPTVES-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO COc1cc(C)c(O[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001234274480 778198695 /nfs/dbraw/zinc/19/86/95/778198695.db2.gz JISQWQZKROLNLN-ZDUSSCGKSA-N 1 0 252.378 2.786 20 5 CFBDRO CC(C)Oc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234291236 778202683 /nfs/dbraw/zinc/20/26/83/778202683.db2.gz QIYNZPIJMHLBBK-CYBMUJFWSA-N 1 0 252.378 2.947 20 5 CFBDRO Cc1cc(Cl)c(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168234765 778263416 /nfs/dbraw/zinc/26/34/16/778263416.db2.gz QABFEQBZTKUNSO-ZJUUUORDSA-N 1 0 287.722 2.669 20 5 CFBDRO CCOC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000159373500 778565321 /nfs/dbraw/zinc/56/53/21/778565321.db2.gz YGDJNIQUCOCZHT-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(CO)CCCC1 ZINC000160148825 778595237 /nfs/dbraw/zinc/59/52/37/778595237.db2.gz SHERSUHLERPFJC-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO Cc1ccc2c(c1O[C@H](C)C[N+](C)(C)C)CCCC2=O ZINC001234852430 779272780 /nfs/dbraw/zinc/27/27/80/779272780.db2.gz WAAKBSMCJVISTL-CYBMUJFWSA-N 1 0 276.400 2.988 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)c(C)c(C)c1[N+](=O)[O-] ZINC001234872094 779277048 /nfs/dbraw/zinc/27/70/48/779277048.db2.gz RICKTOMJELNXRV-LLVKDONJSA-N 1 0 281.376 2.994 20 5 CFBDRO CCOc1cc(O[C@@H](C)C[N+](C)(C)C)c(Cl)cn1 ZINC001234930215 779285993 /nfs/dbraw/zinc/28/59/93/779285993.db2.gz IXIMQLNUSSOUKX-JTQLQIEISA-N 1 0 273.784 2.607 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCCc3n[nH]cc32)cccc1[N+](=O)[O-] ZINC000353684961 779649815 /nfs/dbraw/zinc/64/98/15/779649815.db2.gz HXHDBEWMEWEYHZ-ZDUSSCGKSA-N 1 0 286.335 2.794 20 5 CFBDRO C[C@@H](O)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000691315052 779867306 /nfs/dbraw/zinc/86/73/06/779867306.db2.gz RNGDGHXSCMWYOP-SECBINFHSA-N 1 0 284.743 2.593 20 5 CFBDRO C[C@@H](COCC1CC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506986 349433769 /nfs/dbraw/zinc/43/37/69/349433769.db2.gz JGRZFSVSBSOPFQ-NHYWBVRUSA-N 1 0 290.363 2.987 20 5 CFBDRO COCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000594514541 349437537 /nfs/dbraw/zinc/43/75/37/349437537.db2.gz KQUMMMSOIAFJBD-XQRVVYSFSA-N 1 0 276.336 2.624 20 5 CFBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594597069 349455932 /nfs/dbraw/zinc/45/59/32/349455932.db2.gz CESJRXTZWVYGDW-STQMWFEESA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000594896542 349497705 /nfs/dbraw/zinc/49/77/05/349497705.db2.gz ZFVUOLVKCUCWIM-RYUDHWBXSA-N 1 0 292.383 2.647 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000594935998 349517640 /nfs/dbraw/zinc/51/76/40/349517640.db2.gz RPVGSCBHEGKOHG-GRYCIOLGSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000273050377 192030894 /nfs/dbraw/zinc/03/08/94/192030894.db2.gz KGRJPVBFPTZXIG-LSDHHAIUSA-N 1 0 294.326 2.781 20 5 CFBDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594962858 349531988 /nfs/dbraw/zinc/53/19/88/349531988.db2.gz LYWKEHGLVIFSOB-NSHDSACASA-N 1 0 283.397 2.619 20 5 CFBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594962857 349532383 /nfs/dbraw/zinc/53/23/83/349532383.db2.gz LYWKEHGLVIFSOB-LLVKDONJSA-N 1 0 283.397 2.619 20 5 CFBDRO Cc1ccncc1CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594967236 349534112 /nfs/dbraw/zinc/53/41/12/349534112.db2.gz IVRUOMISLOELQV-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO COc1cc(C[NH2+]CCC(C)(C)F)c([N+](=O)[O-])cc1O ZINC000594972291 349535585 /nfs/dbraw/zinc/53/55/85/349535585.db2.gz BYXPLEODXLURIR-UHFFFAOYSA-N 1 0 286.303 2.537 20 5 CFBDRO CCSC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594987573 349539848 /nfs/dbraw/zinc/53/98/48/349539848.db2.gz YIOWLVPLKYINFK-UHFFFAOYSA-N 1 0 296.392 2.979 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000125201745 187174308 /nfs/dbraw/zinc/17/43/08/187174308.db2.gz RNLFULFXCWFHST-GFCCVEGCSA-N 1 0 298.433 2.841 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000595024635 349553933 /nfs/dbraw/zinc/55/39/33/349553933.db2.gz AGJQHLZEIXFISP-VHSXEESVSA-N 1 0 282.365 2.760 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@H](C)CO ZINC000595035019 349558613 /nfs/dbraw/zinc/55/86/13/349558613.db2.gz GCANLXZIFADQND-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000595032052 349557810 /nfs/dbraw/zinc/55/78/10/349557810.db2.gz GKFREYOIINKKEN-LERXQTSPSA-N 1 0 294.351 2.558 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000595000459 349543106 /nfs/dbraw/zinc/54/31/06/349543106.db2.gz JMGNIZOOWABBGC-UHFFFAOYSA-N 1 0 279.384 2.805 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000595048067 349563880 /nfs/dbraw/zinc/56/38/80/349563880.db2.gz VCQISXBFBAVLCK-FRJFDASCSA-N 1 0 292.335 2.574 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000595048844 349563946 /nfs/dbraw/zinc/56/39/46/349563946.db2.gz BXHRMGIWHIVWRB-QMTHXVAHSA-N 1 0 294.351 2.679 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595068080 349573117 /nfs/dbraw/zinc/57/31/17/349573117.db2.gz OGDOMMRSOVHVRH-BXUZGUMPSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](C)CCO ZINC000595040224 349560703 /nfs/dbraw/zinc/56/07/03/349560703.db2.gz DXHYMNYQGUUTHK-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO Cc1c(C[NH2+][C@H]2COC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000595042661 349560834 /nfs/dbraw/zinc/56/08/34/349560834.db2.gz UVNNUZWKIMRBTR-CYBMUJFWSA-N 1 0 276.336 2.704 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595087726 349577542 /nfs/dbraw/zinc/57/75/42/349577542.db2.gz COWCOKJGRLRHBX-DGCLKSJQSA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595091021 349578102 /nfs/dbraw/zinc/57/81/02/349578102.db2.gz QWGOVPFCIOGMHZ-NILFDRSVSA-N 1 0 290.363 2.857 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092722 349579255 /nfs/dbraw/zinc/57/92/55/349579255.db2.gz ZRYJKWSSFBBTBK-GDLCADMTSA-N 1 0 276.336 2.549 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2=CCCC2)n1 ZINC000595096373 349580577 /nfs/dbraw/zinc/58/05/77/349580577.db2.gz KQTDCPXPBNMUKU-KGLIPLIRSA-N 1 0 290.367 2.975 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595310767 349599600 /nfs/dbraw/zinc/59/96/00/349599600.db2.gz FJCCFUDTRIWYAS-UHFFFAOYSA-N 1 0 298.358 2.964 20 5 CFBDRO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000595290947 349592695 /nfs/dbraw/zinc/59/26/95/349592695.db2.gz OECSZUQNCLOHJM-UHFFFAOYSA-N 1 0 284.331 2.838 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595340055 349605008 /nfs/dbraw/zinc/60/50/08/349605008.db2.gz UQWLPPMDFNDUAM-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO CCC(CC)(CC)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595377725 349612291 /nfs/dbraw/zinc/61/22/91/349612291.db2.gz STBXPUVAEROJBD-UHFFFAOYSA-N 1 0 255.318 2.950 20 5 CFBDRO Cc1noc(C[N@H+](C)C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000595424412 349621493 /nfs/dbraw/zinc/62/14/93/349621493.db2.gz IEJMXIWQBPQFBJ-NSHDSACASA-N 1 0 265.313 2.679 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294972924 199277208 /nfs/dbraw/zinc/27/72/08/199277208.db2.gz JFTOKYOUWPMQAU-AWEZNQCLSA-N 1 0 278.352 2.842 20 5 CFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595438782 349625859 /nfs/dbraw/zinc/62/58/59/349625859.db2.gz BIYQNFGSDGEBEV-GHMZBOCLSA-N 1 0 267.329 2.950 20 5 CFBDRO Cc1noc(C[NH2+][C@H]2CCCCC2(C)C)c1[N+](=O)[O-] ZINC000595438787 349626895 /nfs/dbraw/zinc/62/68/95/349626895.db2.gz BLIUXFNQYIFLHU-NSHDSACASA-N 1 0 267.329 2.950 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660848 190530208 /nfs/dbraw/zinc/53/02/08/190530208.db2.gz QJDZLZBOOYANKG-BXUZGUMPSA-N 1 0 266.341 2.606 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595460196 349633859 /nfs/dbraw/zinc/63/38/59/349633859.db2.gz VAGBPIYKWYLJLV-CQSZACIVSA-N 1 0 295.358 2.650 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(N)c1 ZINC000595477194 349638428 /nfs/dbraw/zinc/63/84/28/349638428.db2.gz RTFYOLQCDDPWAI-UHFFFAOYSA-N 1 0 285.347 2.852 20 5 CFBDRO Cc1noc(C[NH+]2CCC(C)(C3CC3)CC2)c1[N+](=O)[O-] ZINC000595494142 349641544 /nfs/dbraw/zinc/64/15/44/349641544.db2.gz JXOUXIDIJLPSOK-UHFFFAOYSA-N 1 0 279.340 2.903 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000595522792 349650112 /nfs/dbraw/zinc/65/01/12/349650112.db2.gz NTYYUXNDQKSJEM-OXJKWZBOSA-N 1 0 291.351 2.759 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000421367873 529430551 /nfs/dbraw/zinc/43/05/51/529430551.db2.gz AGSPRIBJOYNMQY-UONOGXRCSA-N 1 0 278.352 2.950 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595538732 349653840 /nfs/dbraw/zinc/65/38/40/349653840.db2.gz JRHGGMVJADUMBW-KBPBESRZSA-N 1 0 294.326 2.781 20 5 CFBDRO CCC(CC)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000177863582 282184810 /nfs/dbraw/zinc/18/48/10/282184810.db2.gz RGBIPECBUZYKLF-UHFFFAOYSA-N 1 0 282.388 2.938 20 5 CFBDRO CCC(CC)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000177864083 282184946 /nfs/dbraw/zinc/18/49/46/282184946.db2.gz RYZNCCPPBNDVON-UHFFFAOYSA-N 1 0 282.388 2.938 20 5 CFBDRO Cc1c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595688927 349701451 /nfs/dbraw/zinc/70/14/51/349701451.db2.gz KTUYIOWWBLVVLL-IYBDPMFKSA-N 1 0 290.363 2.762 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595670680 349695935 /nfs/dbraw/zinc/69/59/35/349695935.db2.gz IFPCCFIVJYJFNP-JSGCOSHPSA-N 1 0 278.352 2.578 20 5 CFBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000126009685 187210866 /nfs/dbraw/zinc/21/08/66/187210866.db2.gz PUOMAIGVDOBXJS-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CCO ZINC000595696331 349705997 /nfs/dbraw/zinc/70/59/97/349705997.db2.gz KCBSIRGHKPAPRF-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359533 346909564 /nfs/dbraw/zinc/90/95/64/346909564.db2.gz IBXUSNKOPQEHIB-ZDUSSCGKSA-N 1 0 278.352 2.685 20 5 CFBDRO CC1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C1 ZINC000595747681 349721401 /nfs/dbraw/zinc/72/14/01/349721401.db2.gz BQBUULBAVAZPSG-UHFFFAOYSA-N 1 0 294.399 2.940 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595749827 349723097 /nfs/dbraw/zinc/72/30/97/349723097.db2.gz LMIPFOXQSOHBAI-ZAZJYDDPSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595755864 349724979 /nfs/dbraw/zinc/72/49/79/349724979.db2.gz DWYJOWYQYNRDQF-XUJVJEKNSA-N 1 0 276.336 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000595808063 349736959 /nfs/dbraw/zinc/73/69/59/349736959.db2.gz KXCKLVJXPARMEJ-NXEZZACHSA-N 1 0 273.292 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760150 349726121 /nfs/dbraw/zinc/72/61/21/349726121.db2.gz SDRCWVWUFUAJOW-ZENOOKHLSA-N 1 0 290.363 2.933 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595765112 349726961 /nfs/dbraw/zinc/72/69/61/349726961.db2.gz HEVPURGIMPGCMO-CYBMUJFWSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595766099 349727055 /nfs/dbraw/zinc/72/70/55/349727055.db2.gz RWOPOKVRPJJGNP-GFCCVEGCSA-N 1 0 264.325 2.752 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000595767457 349728503 /nfs/dbraw/zinc/72/85/03/349728503.db2.gz XMBXJQYAOAHLPB-ZDUSSCGKSA-N 1 0 292.335 2.660 20 5 CFBDRO CCn1cc[nH+]c1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414297427 529587213 /nfs/dbraw/zinc/58/72/13/529587213.db2.gz HXJJVIPAQYLFOX-UHFFFAOYSA-N 1 0 260.297 2.732 20 5 CFBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595904018 349765189 /nfs/dbraw/zinc/76/51/89/349765189.db2.gz MVMVLANPJGJVOA-HNNXBMFYSA-N 1 0 297.358 2.875 20 5 CFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1cccc([N+](=O)[O-])c1 ZINC000595902943 349765210 /nfs/dbraw/zinc/76/52/10/349765210.db2.gz JLCVXNPDYXELJY-INIZCTEOSA-N 1 0 297.358 2.875 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595833756 349747103 /nfs/dbraw/zinc/74/71/03/349747103.db2.gz LYGHJRCNNDZWNZ-GFCCVEGCSA-N 1 0 279.340 2.903 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835047 349747452 /nfs/dbraw/zinc/74/74/52/349747452.db2.gz UIWJOFUDXVFBGO-RYUDHWBXSA-N 1 0 296.754 2.717 20 5 CFBDRO CC[NH+](CC)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596048031 349781221 /nfs/dbraw/zinc/78/12/21/349781221.db2.gz DIKJMNLEXQOKNF-UHFFFAOYSA-N 1 0 257.359 2.718 20 5 CFBDRO COc1cc(NCC[NH+]2CCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596058332 349783407 /nfs/dbraw/zinc/78/34/07/349783407.db2.gz FBIJEUKQXOEVPW-UHFFFAOYSA-N 1 0 299.758 2.765 20 5 CFBDRO Cc1cnc(OCc2cccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000596070312 349786478 /nfs/dbraw/zinc/78/64/78/349786478.db2.gz ATZVUGVGHJLSRL-UHFFFAOYSA-N 1 0 299.330 2.523 20 5 CFBDRO O=[N+]([O-])c1ccc(OCc2cccc3c2CC[NH2+]C3)cc1 ZINC000596071100 349787228 /nfs/dbraw/zinc/78/72/28/349787228.db2.gz WBCACYIWODLYLM-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000126255561 187228241 /nfs/dbraw/zinc/22/82/41/187228241.db2.gz JPICVHMDHKYFQJ-BPLDGKMQSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H]([NH2+]C1CCN(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421872850 529682167 /nfs/dbraw/zinc/68/21/67/529682167.db2.gz HHBJCKWQXJIQOU-OAHLLOKOSA-N 1 0 293.367 2.661 20 5 CFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697721 346936452 /nfs/dbraw/zinc/93/64/52/346936452.db2.gz AFWKYNZOQIKRMK-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596141741 349806524 /nfs/dbraw/zinc/80/65/24/349806524.db2.gz JWADRVVLVKXJGS-SNVBAGLBSA-N 1 0 298.774 2.564 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(C)(C)C1 ZINC000072827421 346942341 /nfs/dbraw/zinc/94/23/41/346942341.db2.gz NJQPHCZWERSYST-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO CS[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295018413 199302021 /nfs/dbraw/zinc/30/20/21/199302021.db2.gz KIXRDWORONILJV-NSHDSACASA-N 1 0 252.339 2.532 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169187 349816181 /nfs/dbraw/zinc/81/61/81/349816181.db2.gz SCVGALNUMNAWFF-VXGBXAGGSA-N 1 0 295.408 2.885 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596209093 349827806 /nfs/dbraw/zinc/82/78/06/349827806.db2.gz PKTGFEANFUGHGF-SNVBAGLBSA-N 1 0 298.774 2.564 20 5 CFBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000596269566 349848870 /nfs/dbraw/zinc/84/88/70/349848870.db2.gz TZXFDPKHBKYJNF-JTQLQIEISA-N 1 0 298.774 2.564 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596259213 349844976 /nfs/dbraw/zinc/84/49/76/349844976.db2.gz UVNOEEWWLHBVTI-JTQLQIEISA-N 1 0 283.397 2.885 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596337424 349869281 /nfs/dbraw/zinc/86/92/81/349869281.db2.gz XBWTUPKKTMJUCX-SNVBAGLBSA-N 1 0 298.774 2.928 20 5 CFBDRO C[C@H](CCNc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596433187 349901071 /nfs/dbraw/zinc/90/10/71/349901071.db2.gz RZCNOHMXPHOOAL-MRVPVSSYSA-N 1 0 273.283 2.625 20 5 CFBDRO C[C@@H](CCNc1c(F)cc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596433192 349901033 /nfs/dbraw/zinc/90/10/33/349901033.db2.gz RZCNOHMXPHOOAL-QMMMGPOBSA-N 1 0 273.283 2.625 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CF)CC1 ZINC000295089027 199338521 /nfs/dbraw/zinc/33/85/21/199338521.db2.gz RJIVNAHHWNJBAU-UHFFFAOYSA-N 1 0 252.289 2.776 20 5 CFBDRO CCCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074741371 347029468 /nfs/dbraw/zinc/02/94/68/347029468.db2.gz ALRAMHXRRZBIHE-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074748668 347030342 /nfs/dbraw/zinc/03/03/42/347030342.db2.gz BEICHDAFJZUBIX-GFCCVEGCSA-N 1 0 290.367 2.727 20 5 CFBDRO CCC[NH+]1CCC(N(C)c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074745172 347030411 /nfs/dbraw/zinc/03/04/11/347030411.db2.gz LMFQDASLILBBCT-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO C[NH2+]C[C@@H](C)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414840251 529985347 /nfs/dbraw/zinc/98/53/47/529985347.db2.gz MVYDFFABPSKACY-GFCCVEGCSA-N 1 0 279.384 2.663 20 5 CFBDRO CC(C)C[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075586613 347085607 /nfs/dbraw/zinc/08/56/07/347085607.db2.gz HWQOJTLXEBCQOI-AWEZNQCLSA-N 1 0 291.395 2.929 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000596544101 349937403 /nfs/dbraw/zinc/93/74/03/349937403.db2.gz XVSHNJPSZXJEFS-UHFFFAOYSA-N 1 0 280.372 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000596564409 349942226 /nfs/dbraw/zinc/94/22/26/349942226.db2.gz XOXXRZOASMJSIV-UHFFFAOYSA-N 1 0 290.367 2.524 20 5 CFBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570695 349944438 /nfs/dbraw/zinc/94/44/38/349944438.db2.gz MVXGMKRDGOVLGF-CYBMUJFWSA-N 1 0 290.367 2.524 20 5 CFBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023898886 346253979 /nfs/dbraw/zinc/25/39/79/346253979.db2.gz YOUOQVYDJBQGSX-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO COC[C@@]1(C)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295133127 199363114 /nfs/dbraw/zinc/36/31/14/199363114.db2.gz OVRKHBXJCCXGJA-YERXGYGTSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026159278 346264241 /nfs/dbraw/zinc/26/42/41/346264241.db2.gz SMZNJBACUMUFCM-LBPRGKRZSA-N 1 0 291.351 2.655 20 5 CFBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000037058853 346326532 /nfs/dbraw/zinc/32/65/32/346326532.db2.gz JADSVDLKXGWTRV-NSHDSACASA-N 1 0 263.341 2.737 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000295143422 199369844 /nfs/dbraw/zinc/36/98/44/199369844.db2.gz CMESZICJJGKHQH-MFKMUULPSA-N 1 0 264.325 2.813 20 5 CFBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCCC1 ZINC000033980458 346313857 /nfs/dbraw/zinc/31/38/57/346313857.db2.gz YPLLVFNDUUKEAV-UHFFFAOYSA-N 1 0 291.395 2.555 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000034361578 346315652 /nfs/dbraw/zinc/31/56/52/346315652.db2.gz OJSNXRYDTWARPI-UHFFFAOYSA-N 1 0 297.358 2.917 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000047703426 346457743 /nfs/dbraw/zinc/45/77/43/346457743.db2.gz VGXLLLUBTRHHQA-NEPJUHHUSA-N 1 0 264.325 2.624 20 5 CFBDRO CCC[C@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596654924 349969669 /nfs/dbraw/zinc/96/96/69/349969669.db2.gz RMMBTACSAGBWNZ-NRAUKZCXSA-N 1 0 289.379 2.778 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCC(C)C ZINC000053361049 346543477 /nfs/dbraw/zinc/54/34/77/346543477.db2.gz LNJLQHIRBFKQME-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO C[N@H+](CCNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000053582802 346550342 /nfs/dbraw/zinc/55/03/42/346550342.db2.gz NRHRNFDWVLEXGN-UHFFFAOYSA-N 1 0 286.335 2.534 20 5 CFBDRO COC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000063513434 346703383 /nfs/dbraw/zinc/70/33/83/346703383.db2.gz GXPNZTMMRULGBG-UHFFFAOYSA-N 1 0 294.351 2.616 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000061757202 346682956 /nfs/dbraw/zinc/68/29/56/346682956.db2.gz GIONOPWWYDWBLQ-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066811138 346780760 /nfs/dbraw/zinc/78/07/60/346780760.db2.gz LHCKDDVOIHHXQW-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO C[N@H+](CCNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000066810333 346780782 /nfs/dbraw/zinc/78/07/82/346780782.db2.gz QKWOMRYAGRARIC-UHFFFAOYSA-N 1 0 286.335 2.534 20 5 CFBDRO CCC(CC)[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000066797773 346779936 /nfs/dbraw/zinc/77/99/36/346779936.db2.gz RNAZFUIFQTXZNJ-CYBMUJFWSA-N 1 0 280.372 2.768 20 5 CFBDRO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075891724 347106027 /nfs/dbraw/zinc/10/60/27/347106027.db2.gz XMSJJWKRJGYISX-TXEJJXNPSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000075895072 347106860 /nfs/dbraw/zinc/10/68/60/347106860.db2.gz KVWBUTJARJMJRW-PHIMTYICSA-N 1 0 266.366 2.921 20 5 CFBDRO COc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000076113870 347123520 /nfs/dbraw/zinc/12/35/20/347123520.db2.gz HOSOBOWJRJIVJC-GHMZBOCLSA-N 1 0 264.325 2.691 20 5 CFBDRO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000076113406 347122253 /nfs/dbraw/zinc/12/22/53/347122253.db2.gz GRHGHWPJGJDMLN-QWRGUYRKSA-N 1 0 292.335 2.549 20 5 CFBDRO CCO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076400044 347137050 /nfs/dbraw/zinc/13/70/50/347137050.db2.gz ITTGFXFDIXOFBK-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000076157843 347126738 /nfs/dbraw/zinc/12/67/38/347126738.db2.gz FZRMHIQNDHDRDJ-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000078562507 347261562 /nfs/dbraw/zinc/26/15/62/347261562.db2.gz RZMMRDLFSMSCOV-GFCCVEGCSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078559613 347261729 /nfs/dbraw/zinc/26/17/29/347261729.db2.gz WRQWJNFXFAMJTR-LBPRGKRZSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078576274 347262389 /nfs/dbraw/zinc/26/23/89/347262389.db2.gz LVYWAOMVIVVYPV-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078576269 347262473 /nfs/dbraw/zinc/26/24/73/347262473.db2.gz LVYWAOMVIVVYPV-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO Cc1cnc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078630729 347266094 /nfs/dbraw/zinc/26/60/94/347266094.db2.gz XUSWQTARWHRWNU-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cnc(N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078628945 347266508 /nfs/dbraw/zinc/26/65/08/347266508.db2.gz XUKNXMVVXPNCHM-UHFFFAOYSA-N 1 0 292.383 2.607 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000079901290 347331406 /nfs/dbraw/zinc/33/14/06/347331406.db2.gz LESSTJVVPYSNSB-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000080653646 347372569 /nfs/dbraw/zinc/37/25/69/347372569.db2.gz SEKJMHUXAFOFLP-OLZOCXBDSA-N 1 0 275.352 2.576 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000090774130 347556353 /nfs/dbraw/zinc/55/63/53/347556353.db2.gz FYYAASWYCYUHNV-BPLDGKMQSA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000091399928 347584605 /nfs/dbraw/zinc/58/46/05/347584605.db2.gz XWFJRQDJNQYANY-CYBMUJFWSA-N 1 0 292.364 2.594 20 5 CFBDRO CCOc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000092657447 347638008 /nfs/dbraw/zinc/63/80/08/347638008.db2.gz UOCQLUAPSJXDAN-CYBMUJFWSA-N 1 0 293.367 2.524 20 5 CFBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092675586 347639945 /nfs/dbraw/zinc/63/99/45/347639945.db2.gz UNCDRWDYAPZWAD-UHFFFAOYSA-N 1 0 292.307 2.850 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094473016 347695611 /nfs/dbraw/zinc/69/56/11/347695611.db2.gz RAGBSUILJWPFOC-ZYHUDNBSSA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000114474397 347772202 /nfs/dbraw/zinc/77/22/02/347772202.db2.gz PCTLEAASTMXCLJ-LLVKDONJSA-N 1 0 266.341 2.998 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103470147 347723365 /nfs/dbraw/zinc/72/33/65/347723365.db2.gz OBMXYLSAHGURDJ-VIFPVBQESA-N 1 0 252.289 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000111128402 347752178 /nfs/dbraw/zinc/75/21/78/347752178.db2.gz GZXGXNPVWJCNQR-LLVKDONJSA-N 1 0 272.304 2.736 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC1CCOCC1)C1CC1 ZINC000135219660 347905025 /nfs/dbraw/zinc/90/50/25/347905025.db2.gz OIKCCACYPRXHBN-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000135181086 347905115 /nfs/dbraw/zinc/90/51/15/347905115.db2.gz IVLCAHYCRCKQHM-NEPJUHHUSA-N 1 0 264.325 2.752 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000148469953 347950558 /nfs/dbraw/zinc/95/05/58/347950558.db2.gz NJQGFVWMIUJIQM-VIFPVBQESA-N 1 0 296.758 2.539 20 5 CFBDRO CSCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154776121 347982548 /nfs/dbraw/zinc/98/25/48/347982548.db2.gz VIRUYVCUNDQBLL-SNVBAGLBSA-N 1 0 254.355 2.917 20 5 CFBDRO CSCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154775766 347983079 /nfs/dbraw/zinc/98/30/79/347983079.db2.gz OHQYJAKINOGGFF-JTQLQIEISA-N 1 0 254.355 2.917 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218848459 348167850 /nfs/dbraw/zinc/16/78/50/348167850.db2.gz XVVXPKYNKGHHPM-JTQLQIEISA-N 1 0 299.346 2.885 20 5 CFBDRO CC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000232869479 348214736 /nfs/dbraw/zinc/21/47/36/348214736.db2.gz WEGULNVNXIXRGE-UHFFFAOYSA-N 1 0 264.325 2.753 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000231885595 348209747 /nfs/dbraw/zinc/20/97/47/348209747.db2.gz BLTUCAYJVJQHST-KBPBESRZSA-N 1 0 278.352 2.950 20 5 CFBDRO CSCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237504471 348240416 /nfs/dbraw/zinc/24/04/16/348240416.db2.gz BVTFXFNSXTXPLK-GQCTYLIASA-N 1 0 252.339 2.561 20 5 CFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251818391 348293547 /nfs/dbraw/zinc/29/35/47/348293547.db2.gz PBJNBIVUXXVFPK-IINYFYTJSA-N 1 0 297.786 2.807 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000279033272 348339668 /nfs/dbraw/zinc/33/96/68/348339668.db2.gz ISAICLKFMWUAJC-KKUMJFAQSA-N 1 0 290.363 2.820 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCC1CCOCC1 ZINC000312591837 348419300 /nfs/dbraw/zinc/41/93/00/348419300.db2.gz LXRNDXODSMODLR-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413075459 233014299 /nfs/dbraw/zinc/01/42/99/233014299.db2.gz RXPJCAWYAYMJBP-GHMZBOCLSA-N 1 0 296.346 2.661 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000273397780 192138422 /nfs/dbraw/zinc/13/84/22/192138422.db2.gz LHNQIMFRUPMKES-AAEUAGOBSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCC2)n1 ZINC000128915101 187398684 /nfs/dbraw/zinc/39/86/84/187398684.db2.gz XDRFNPRJTXJZGL-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000402019406 348579928 /nfs/dbraw/zinc/57/99/28/348579928.db2.gz DRYCGSNUFYBVEI-WCBMZHEXSA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CC[NH3+] ZINC000404365311 348591617 /nfs/dbraw/zinc/59/16/17/348591617.db2.gz PBDQALCERQTKDR-XHDPSFHLSA-N 1 0 295.358 2.683 20 5 CFBDRO CCC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000585764804 348743653 /nfs/dbraw/zinc/74/36/53/348743653.db2.gz KLIBVOWRRHXHCQ-UHFFFAOYSA-N 1 0 264.325 2.752 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1 ZINC000589501619 348835889 /nfs/dbraw/zinc/83/58/89/348835889.db2.gz TUKWAWOHPCIQAL-GHMZBOCLSA-N 1 0 292.335 2.612 20 5 CFBDRO Cc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000589584237 348839615 /nfs/dbraw/zinc/83/96/15/348839615.db2.gz LAWSBIQZFOANQY-VXGBXAGGSA-N 1 0 275.352 2.940 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000589737409 348854800 /nfs/dbraw/zinc/85/48/00/348854800.db2.gz ORIDWMSFRPCPQL-BYPUDFOVSA-N 1 0 298.346 2.752 20 5 CFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CCC2)C1 ZINC000589877300 348862340 /nfs/dbraw/zinc/86/23/40/348862340.db2.gz HJEWMRLXTYEMRY-LLVKDONJSA-N 1 0 295.408 2.967 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000590725970 348937781 /nfs/dbraw/zinc/93/77/81/348937781.db2.gz AZJSRQLSOYFHKB-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@H]3CCCOC3)C2)cc1 ZINC000590757636 348943588 /nfs/dbraw/zinc/94/35/88/348943588.db2.gz WSTBJKZTAYLCBG-HOCLYGCPSA-N 1 0 290.363 2.953 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@@H]3CCCOC3)C2)cc1 ZINC000590757634 348943796 /nfs/dbraw/zinc/94/37/96/348943796.db2.gz WSTBJKZTAYLCBG-GDBMZVCRSA-N 1 0 290.363 2.953 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000590373252 348896920 /nfs/dbraw/zinc/89/69/20/348896920.db2.gz HOFXKNFAEIARDM-HNNXBMFYSA-N 1 0 290.363 2.783 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591139943 348992007 /nfs/dbraw/zinc/99/20/07/348992007.db2.gz PNIQCOPEXOGWRK-UHFFFAOYSA-N 1 0 296.346 2.804 20 5 CFBDRO CC(C)c1ccc(CNC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275628 349005377 /nfs/dbraw/zinc/00/53/77/349005377.db2.gz LOQXXPBBAXVRJD-CQSZACIVSA-N 1 0 291.395 2.950 20 5 CFBDRO Cc1cccc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444722 349022720 /nfs/dbraw/zinc/02/27/20/349022720.db2.gz JYOCQLNCQYAMBA-ZIAGYGMSSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591578077 349031611 /nfs/dbraw/zinc/03/16/11/349031611.db2.gz VSKVECXCIIYVRN-OCCSQVGLSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[C@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578061 349031914 /nfs/dbraw/zinc/03/19/14/349031914.db2.gz RMQICNLSZWJXNQ-ZFWWWQNUSA-N 1 0 277.368 2.778 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357149 349107557 /nfs/dbraw/zinc/10/75/57/349107557.db2.gz RHKRDIYULCRXNJ-LLVKDONJSA-N 1 0 299.290 2.551 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000592140025 349090372 /nfs/dbraw/zinc/09/03/72/349090372.db2.gz UPJIAOBYPSNYEF-OAHLLOKOSA-N 1 0 283.331 2.979 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592374427 349111330 /nfs/dbraw/zinc/11/13/30/349111330.db2.gz GKQQCGUKBQJSEO-JQWIXIFHSA-N 1 0 284.331 2.621 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000592466566 349126078 /nfs/dbraw/zinc/12/60/78/349126078.db2.gz PRJVSXQWRGLLTP-NWDGAFQWSA-N 1 0 290.367 2.550 20 5 CFBDRO Cc1c(C[NH+]2CCC([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000593080917 349204195 /nfs/dbraw/zinc/20/41/95/349204195.db2.gz BXBLNEZLBYIXAD-LBPRGKRZSA-N 1 0 292.379 2.744 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(C4CCC4)CC3)nc2c1 ZINC000593083709 349205030 /nfs/dbraw/zinc/20/50/30/349205030.db2.gz WOCXXYVTCRUBDZ-UHFFFAOYSA-N 1 0 286.335 2.893 20 5 CFBDRO Cc1ccc(C[NH+]2CCC([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593677186 349308573 /nfs/dbraw/zinc/30/85/73/349308573.db2.gz TXVWSEINCFQUAG-CYBMUJFWSA-N 1 0 292.379 2.744 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719050 349314670 /nfs/dbraw/zinc/31/46/70/349314670.db2.gz UKSDXGSPXCJAOE-GXTWGEPZSA-N 1 0 284.331 2.746 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@H](CO)CCF)c2cc([N+](=O)[O-])ccc21 ZINC000593718491 349314796 /nfs/dbraw/zinc/31/47/96/349314796.db2.gz IBOQKOJLGZYAME-HZMBPMFUSA-N 1 0 296.342 2.627 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000594494995 349429503 /nfs/dbraw/zinc/42/95/03/349429503.db2.gz MTDSXBKSTJBBFJ-CMPLNLGQSA-N 1 0 296.392 2.977 20 5 CFBDRO Cc1cnc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000090692180 180024428 /nfs/dbraw/zinc/02/44/28/180024428.db2.gz YODNKVKOBWTIFF-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cnc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000090692079 180024510 /nfs/dbraw/zinc/02/45/10/180024510.db2.gz MBHYDYNVKHDUPC-CYBMUJFWSA-N 1 0 292.383 2.832 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000091479119 180166894 /nfs/dbraw/zinc/16/68/94/180166894.db2.gz OYQKMLBZTYUXEP-LLVKDONJSA-N 1 0 251.330 2.737 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271321192 191072047 /nfs/dbraw/zinc/07/20/47/191072047.db2.gz DJOOIJXQUSRIRJ-OCCSQVGLSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1c(NC(=O)N[C@@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000414716067 233336622 /nfs/dbraw/zinc/33/66/22/233336622.db2.gz WQESQTQFXVQXOG-JTQLQIEISA-N 1 0 294.355 2.542 20 5 CFBDRO Cc1ncccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448158 186058144 /nfs/dbraw/zinc/05/81/44/186058144.db2.gz ZPYUGUQHFSGCDP-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910452 233396164 /nfs/dbraw/zinc/39/61/64/233396164.db2.gz CWBCAQVWSZUWCQ-MNOVXSKESA-N 1 0 283.759 2.608 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959916 180292107 /nfs/dbraw/zinc/29/21/07/180292107.db2.gz QTEYNMBNUPVINV-SGMGOOAPSA-N 1 0 277.368 2.728 20 5 CFBDRO CC1CC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598678954 350309109 /nfs/dbraw/zinc/30/91/09/350309109.db2.gz BDGRUUQODNSFEN-NWINJMCUSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598683337 350309717 /nfs/dbraw/zinc/30/97/17/350309717.db2.gz RRMMKNZMMYWBRP-ZENOOKHLSA-N 1 0 289.379 2.777 20 5 CFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598682826 350309934 /nfs/dbraw/zinc/30/99/34/350309934.db2.gz PFASIHYEONEHSP-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO C[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598954392 350348748 /nfs/dbraw/zinc/34/87/48/350348748.db2.gz DTIQOVGYPBAXDH-ZDUSSCGKSA-N 1 0 277.368 2.557 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598960952 350349702 /nfs/dbraw/zinc/34/97/02/350349702.db2.gz QGPAUTXWOWEAMA-RLCCDNCMSA-N 1 0 290.363 2.998 20 5 CFBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000598977124 350352604 /nfs/dbraw/zinc/35/26/04/350352604.db2.gz GPWILUJZNFHZRZ-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCCOC2)cs1 ZINC000598985044 350354006 /nfs/dbraw/zinc/35/40/06/350354006.db2.gz HLWWCOAWSOFARB-SNVBAGLBSA-N 1 0 270.354 2.563 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OCC ZINC000598988866 350354699 /nfs/dbraw/zinc/35/46/99/350354699.db2.gz DEXJFSPJMZVMJB-LLVKDONJSA-N 1 0 272.370 2.951 20 5 CFBDRO Cc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598988990 350354983 /nfs/dbraw/zinc/35/49/83/350354983.db2.gz WJGBYRPSBNGODH-DOMZBBRYSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccnc1C ZINC000598996515 350356741 /nfs/dbraw/zinc/35/67/41/350356741.db2.gz VNXWZJJJXATCDN-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599000843 350357388 /nfs/dbraw/zinc/35/73/88/350357388.db2.gz XPWGPDWRAPTFHD-YXMPFFBPSA-N 1 0 278.352 2.805 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000599018326 350359562 /nfs/dbraw/zinc/35/95/62/350359562.db2.gz VORLBJAHKWAMMW-ZQMOLZAKSA-N 1 0 276.336 2.623 20 5 CFBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](C3CC3)C2)ccc2cnccc21 ZINC000599026150 350361376 /nfs/dbraw/zinc/36/13/76/350361376.db2.gz BPKUIIWOVJYACF-LBPRGKRZSA-N 1 0 298.346 2.792 20 5 CFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000599045538 350364168 /nfs/dbraw/zinc/36/41/68/350364168.db2.gz YBBRPDOKYXGXRB-SECBINFHSA-N 1 0 269.370 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)CCCC2 ZINC000599081253 350372565 /nfs/dbraw/zinc/37/25/65/350372565.db2.gz KCURMLUTKXNHIW-PEYYIBSZSA-N 1 0 290.363 2.723 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599137768 350383004 /nfs/dbraw/zinc/38/30/04/350383004.db2.gz CWIYTMDLMXYYCN-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000599141153 350383817 /nfs/dbraw/zinc/38/38/17/350383817.db2.gz ZTCJZGHLNVDOSN-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000092299708 180358910 /nfs/dbraw/zinc/35/89/10/180358910.db2.gz YRLLPRBRYGNBNA-ZDUSSCGKSA-N 1 0 284.315 2.861 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300586 180358941 /nfs/dbraw/zinc/35/89/41/180358941.db2.gz NRZUXIYULDOSOI-CYBMUJFWSA-N 1 0 284.315 2.861 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626546 350467194 /nfs/dbraw/zinc/46/71/94/350467194.db2.gz RBQSSTBUFLBIAF-VEABSNGSSA-N 1 0 294.351 2.505 20 5 CFBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000092407212 180380267 /nfs/dbraw/zinc/38/02/67/180380267.db2.gz NTGQDMORTDIYCB-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000599673582 350479031 /nfs/dbraw/zinc/47/90/31/350479031.db2.gz QIWPEGFMQGMOEM-UHFFFAOYSA-N 1 0 280.368 2.620 20 5 CFBDRO CC[C@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000600168644 350528572 /nfs/dbraw/zinc/52/85/72/350528572.db2.gz LLMSHZVEXBSPCX-WOLRVDTOSA-N 1 0 278.352 2.701 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000600215402 350542064 /nfs/dbraw/zinc/54/20/64/350542064.db2.gz JQQAZDHASPCEIH-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO C[NH2+]CCc1cccc(-c2cc([N+](=O)[O-])ccc2CO)c1 ZINC000600781449 350610606 /nfs/dbraw/zinc/61/06/06/350610606.db2.gz BXGKCWOLYBSEFC-UHFFFAOYSA-N 1 0 286.331 2.516 20 5 CFBDRO CN(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000600783646 350611298 /nfs/dbraw/zinc/61/12/98/350611298.db2.gz GEDWBTJGUVASFP-UHFFFAOYSA-N 1 0 299.374 2.913 20 5 CFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000111048628 186348726 /nfs/dbraw/zinc/34/87/26/186348726.db2.gz ITNFETUHSAKGOI-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@](CO)([NH2+]Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000601148644 350681978 /nfs/dbraw/zinc/68/19/78/350681978.db2.gz GCWIRKNBVBCBNZ-CQSZACIVSA-N 1 0 292.360 2.654 20 5 CFBDRO C[C@@](CO)([NH2+]Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601149321 350682097 /nfs/dbraw/zinc/68/20/97/350682097.db2.gz LBYKIMXRXTZHDP-INIZCTEOSA-N 1 0 286.331 2.592 20 5 CFBDRO CCOc1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000111048731 186348133 /nfs/dbraw/zinc/34/81/33/186348133.db2.gz ZFJBMQNRYONWOR-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111157309 186361874 /nfs/dbraw/zinc/36/18/74/186361874.db2.gz VMXJLPNDLZXXBB-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000111159153 186361999 /nfs/dbraw/zinc/36/19/99/186361999.db2.gz QAGWLXDSPHPLMV-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000111156680 186362151 /nfs/dbraw/zinc/36/21/51/186362151.db2.gz AHUUGNDNXXGCFX-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601289634 350717687 /nfs/dbraw/zinc/71/76/87/350717687.db2.gz QSIOBDBOTUTYPF-AAEUAGOBSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601299067 350719044 /nfs/dbraw/zinc/71/90/44/350719044.db2.gz NIGXANSUMFZSNI-CABZTGNLSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601300830 350719239 /nfs/dbraw/zinc/71/92/39/350719239.db2.gz JVTIHFYKWIYSNN-DKCNOQQISA-N 1 0 292.257 2.557 20 5 CFBDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602229123 350854469 /nfs/dbraw/zinc/85/44/69/350854469.db2.gz GPXMPKUHQDAETI-UHFFFAOYSA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)C[C@@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602559985 350924100 /nfs/dbraw/zinc/92/41/00/350924100.db2.gz GRDABNVTBZUWON-OAHLLOKOSA-N 1 0 294.395 2.772 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000602567756 350927666 /nfs/dbraw/zinc/92/76/66/350927666.db2.gz KWKUAHPUUFPAJR-OAGGEKHMSA-N 1 0 290.363 2.685 20 5 CFBDRO COC1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602573195 350929276 /nfs/dbraw/zinc/92/92/76/350929276.db2.gz QBDITRGTPZQTNP-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602580963 350933534 /nfs/dbraw/zinc/93/35/34/350933534.db2.gz RAGSDJKYIIHMFP-HNNXBMFYSA-N 1 0 294.395 2.770 20 5 CFBDRO CCOCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602585291 350935691 /nfs/dbraw/zinc/93/56/91/350935691.db2.gz CYICNAVMCBQYLK-UHFFFAOYSA-N 1 0 292.257 2.740 20 5 CFBDRO Cc1c(NC(=O)[C@@H]([NH3+])CCC(C)C)cccc1[N+](=O)[O-] ZINC000602436922 350881257 /nfs/dbraw/zinc/88/12/57/350881257.db2.gz OUMFPNXVVFDFTA-NSHDSACASA-N 1 0 279.340 2.605 20 5 CFBDRO Cn1cc(C[N@H+](CC2CCCCC2)C2CC2)c([N+](=O)[O-])n1 ZINC000602450400 350888344 /nfs/dbraw/zinc/88/83/44/350888344.db2.gz VJINCRSVBICXGS-UHFFFAOYSA-N 1 0 292.383 2.873 20 5 CFBDRO Cn1cc(C[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602459926 350890315 /nfs/dbraw/zinc/89/03/15/350890315.db2.gz WTMXSIFHTKVTGR-UHFFFAOYSA-N 1 0 292.383 2.875 20 5 CFBDRO CC[C@@](C)(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000602651184 350961733 /nfs/dbraw/zinc/96/17/33/350961733.db2.gz QVAUMYHITJIAIA-HNNXBMFYSA-N 1 0 280.368 2.884 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000602691856 350981232 /nfs/dbraw/zinc/98/12/32/350981232.db2.gz URUUVSXDYKCUOG-GJZGRUSLSA-N 1 0 280.368 2.522 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602694634 350982824 /nfs/dbraw/zinc/98/28/24/350982824.db2.gz ADSNMXQLCBFSSW-GXTWGEPZSA-N 1 0 280.368 2.524 20 5 CFBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000602701445 350987126 /nfs/dbraw/zinc/98/71/26/350987126.db2.gz SWJCBNRLTYTNQO-INIZCTEOSA-N 1 0 291.395 2.553 20 5 CFBDRO CSC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602724185 351001425 /nfs/dbraw/zinc/00/14/25/351001425.db2.gz ARINNWITPOOKCH-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO CCOC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602627005 350951796 /nfs/dbraw/zinc/95/17/96/350951796.db2.gz CSENNLZPOZWFIY-UHFFFAOYSA-N 1 0 293.323 2.641 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCC(C)C)C1CC1 ZINC000602763572 351016708 /nfs/dbraw/zinc/01/67/08/351016708.db2.gz QAAHKWSSSLBEKJ-UHFFFAOYSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1cccs1 ZINC000602766035 351018139 /nfs/dbraw/zinc/01/81/39/351018139.db2.gz NZXXRPFODOHDLO-SNVBAGLBSA-N 1 0 294.380 2.854 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000271423364 191129053 /nfs/dbraw/zinc/12/90/53/191129053.db2.gz CHQMFMLRUKOTDZ-YPMHNXCESA-N 1 0 288.351 2.839 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000112660128 186514207 /nfs/dbraw/zinc/51/42/07/186514207.db2.gz KYRLBVDQJBVNRU-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000602802611 351031743 /nfs/dbraw/zinc/03/17/43/351031743.db2.gz RJMKEXVPBQHOPX-CQSZACIVSA-N 1 0 288.351 2.878 20 5 CFBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000602812648 351034951 /nfs/dbraw/zinc/03/49/51/351034951.db2.gz BJSKQUVYZPYXFP-AAEUAGOBSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1c(CN2CCC[C@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000602881375 351056425 /nfs/dbraw/zinc/05/64/25/351056425.db2.gz PYEJQRTWIBHDCO-HNNXBMFYSA-N 1 0 286.335 2.963 20 5 CFBDRO CC1(F)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602743177 351012228 /nfs/dbraw/zinc/01/22/28/351012228.db2.gz PZLJBSVSOIYDPH-UHFFFAOYSA-N 1 0 252.289 2.919 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CC(C)(C)CO1 ZINC000602758941 351015127 /nfs/dbraw/zinc/01/51/27/351015127.db2.gz KBOBICQDCGCFCU-CYBMUJFWSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@](CO)([NH2+]CCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965762 351073471 /nfs/dbraw/zinc/07/34/71/351073471.db2.gz NMOQAHOTSFOMMD-MRXNPFEDSA-N 1 0 292.379 2.972 20 5 CFBDRO C[C@](CO)([NH2+]CC1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602963337 351073526 /nfs/dbraw/zinc/07/35/26/351073526.db2.gz VRBGDGHIJUWUFS-MRXNPFEDSA-N 1 0 292.379 2.828 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997048 351088497 /nfs/dbraw/zinc/08/84/97/351088497.db2.gz BESQLPADJXSFJO-BPUTZDHNSA-N 1 0 290.363 2.720 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000603405699 351157826 /nfs/dbraw/zinc/15/78/26/351157826.db2.gz DIJPGLCJHQEXGG-NXEZZACHSA-N 1 0 284.747 2.538 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000603433433 351163832 /nfs/dbraw/zinc/16/38/32/351163832.db2.gz NJTSMIZPZBSKBV-JMSVASOKSA-N 1 0 277.368 2.543 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000603431815 351163962 /nfs/dbraw/zinc/16/39/62/351163962.db2.gz HEYPURYRBGEDNO-IJLUTSLNSA-N 1 0 295.358 2.682 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000603434965 351164036 /nfs/dbraw/zinc/16/40/36/351164036.db2.gz VNBZRPLKAGLBNP-CKYFFXLPSA-N 1 0 283.397 2.604 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609350608 351497342 /nfs/dbraw/zinc/49/73/42/351497342.db2.gz CDZGDGAMCKGELB-NSHDSACASA-N 1 0 281.381 2.721 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)s1 ZINC000609111568 351485092 /nfs/dbraw/zinc/48/50/92/351485092.db2.gz ONTGQTOVUGKUIQ-UHFFFAOYSA-N 1 0 255.343 2.554 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000609133403 351486613 /nfs/dbraw/zinc/48/66/13/351486613.db2.gz XJGCMUWJKZJKSM-UHFFFAOYSA-N 1 0 298.342 2.901 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000609891970 351526068 /nfs/dbraw/zinc/52/60/68/351526068.db2.gz VCXIUTMICLLGQJ-SNVBAGLBSA-N 1 0 298.774 2.610 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000609707974 351516103 /nfs/dbraw/zinc/51/61/03/351516103.db2.gz SDIRBRKREHOPEF-LLVKDONJSA-N 1 0 280.368 2.967 20 5 CFBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000610602852 351585504 /nfs/dbraw/zinc/58/55/04/351585504.db2.gz NWIKLMBARJTOMU-BETUJISGSA-N 1 0 278.352 2.952 20 5 CFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610662365 351589313 /nfs/dbraw/zinc/58/93/13/351589313.db2.gz NODFGYLEEFDSAJ-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC=CC1 ZINC000610832559 351613199 /nfs/dbraw/zinc/61/31/99/351613199.db2.gz LJPALJJSQMDCRH-LLVKDONJSA-N 1 0 289.335 2.620 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000610677295 351591379 /nfs/dbraw/zinc/59/13/79/351591379.db2.gz FSXWLDKTGDENJJ-ZDUSSCGKSA-N 1 0 277.368 2.870 20 5 CFBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811063 351610742 /nfs/dbraw/zinc/61/07/42/351610742.db2.gz HXRDKVVDHFRUQH-OCCSQVGLSA-N 1 0 278.352 2.542 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611271134 351661542 /nfs/dbraw/zinc/66/15/42/351661542.db2.gz JCQKSBFIIQNGPG-QPBFKRLHSA-N 1 0 289.379 2.634 20 5 CFBDRO CC[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092032 351640252 /nfs/dbraw/zinc/64/02/52/351640252.db2.gz HCXJISLOKTZZAT-OLZOCXBDSA-N 1 0 277.368 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC000611191706 351650861 /nfs/dbraw/zinc/65/08/61/351650861.db2.gz HSMLUVSYNZTOPR-LBPRGKRZSA-N 1 0 290.367 2.809 20 5 CFBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000611203029 351651551 /nfs/dbraw/zinc/65/15/51/351651551.db2.gz RDXZZEHPVHGMCE-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@H]1COCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611272351 351662325 /nfs/dbraw/zinc/66/23/25/351662325.db2.gz AXWTVVAZSSIVHA-WXJAXGNASA-N 1 0 276.336 2.719 20 5 CFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCC1 ZINC000611253212 351657862 /nfs/dbraw/zinc/65/78/62/351657862.db2.gz UMPSHBKTVXOCDN-UHFFFAOYSA-N 1 0 292.335 2.740 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000611272467 351662629 /nfs/dbraw/zinc/66/26/29/351662629.db2.gz VJSLWYFJKWAQNY-GFCCVEGCSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611412306 351686142 /nfs/dbraw/zinc/68/61/42/351686142.db2.gz KPEABSCEMIGILG-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3sccc3[N+](=O)[O-])CC[C@@H]21 ZINC000611413824 351686793 /nfs/dbraw/zinc/68/67/93/351686793.db2.gz YUAMOWHCUTVART-MNOVXSKESA-N 1 0 281.381 2.577 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000611497685 351698414 /nfs/dbraw/zinc/69/84/14/351698414.db2.gz HAILOAYMBYFSNV-UHFFFAOYSA-N 1 0 278.283 2.968 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C(F)F)C2)ccc1[N+](=O)[O-] ZINC000611516921 351702901 /nfs/dbraw/zinc/70/29/01/351702901.db2.gz CHWBFHROQVXNMM-JTQLQIEISA-N 1 0 286.278 2.690 20 5 CFBDRO CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000611515249 351702960 /nfs/dbraw/zinc/70/29/60/351702960.db2.gz LSMYQHUBLWEKTH-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000121943458 187006165 /nfs/dbraw/zinc/00/61/65/187006165.db2.gz GOVTXMBNRVAWQO-UTUOFQBUSA-N 1 0 291.351 2.795 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000122269096 187023415 /nfs/dbraw/zinc/02/34/15/187023415.db2.gz VIFGBPLMEJEFOF-ZJUUUORDSA-N 1 0 279.315 2.771 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+](C)C ZINC000291771871 198086867 /nfs/dbraw/zinc/08/68/67/198086867.db2.gz HKQFSMWXVZKDRG-SNVBAGLBSA-N 1 0 251.330 2.513 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC1 ZINC000122438172 187032424 /nfs/dbraw/zinc/03/24/24/187032424.db2.gz UFBONXOYVWUCEM-BXUZGUMPSA-N 1 0 294.351 2.508 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCOC1 ZINC000122438445 187032561 /nfs/dbraw/zinc/03/25/61/187032561.db2.gz UFBONXOYVWUCEM-FZMZJTMJSA-N 1 0 294.351 2.508 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC(C)C ZINC000612593523 351841173 /nfs/dbraw/zinc/84/11/73/351841173.db2.gz OUDLLNKYCIZMJX-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000124026047 187119163 /nfs/dbraw/zinc/11/91/63/187119163.db2.gz GCVWLRFJTTVHDZ-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000123647494 187102632 /nfs/dbraw/zinc/10/26/32/187102632.db2.gz PITRVCGIEHDVFE-WCQYABFASA-N 1 0 296.342 2.859 20 5 CFBDRO COc1cc(CN2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000613381623 351948523 /nfs/dbraw/zinc/94/85/23/351948523.db2.gz LYTUQIBQHNJOIH-BXKDBHETSA-N 1 0 280.299 2.727 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@H](C2CC2)C1 ZINC000614452930 352095937 /nfs/dbraw/zinc/09/59/37/352095937.db2.gz OQLFKVWMFCAHSC-OICCZTGUSA-N 1 0 288.347 2.719 20 5 CFBDRO CSCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615720129 352236135 /nfs/dbraw/zinc/23/61/35/352236135.db2.gz UDZPFDCHJAUFFS-DHZHZOJOSA-N 1 0 266.366 2.951 20 5 CFBDRO CC(C)(CNc1cccnc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000616404009 352343012 /nfs/dbraw/zinc/34/30/12/352343012.db2.gz MZZBSLUXKRLFKJ-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CC[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000616487690 352358298 /nfs/dbraw/zinc/35/82/98/352358298.db2.gz CGAFUWNAMKZUBG-ZKKXHLJNSA-N 1 0 276.336 2.767 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H](COC)C(C)C)ccc1[N+](=O)[O-] ZINC000617219523 352519942 /nfs/dbraw/zinc/51/99/42/352519942.db2.gz KBUVGEBWTCDROC-ZDUSSCGKSA-N 1 0 296.367 2.754 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])s2)C1 ZINC000617454924 352566078 /nfs/dbraw/zinc/56/60/78/352566078.db2.gz PBIJBOUWQWMVGY-MNOVXSKESA-N 1 0 281.381 2.577 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])s2)C1 ZINC000617454926 352566465 /nfs/dbraw/zinc/56/64/65/352566465.db2.gz PBIJBOUWQWMVGY-WDEREUQCSA-N 1 0 281.381 2.577 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000617491651 352572505 /nfs/dbraw/zinc/57/25/05/352572505.db2.gz CGGLGFMZWDRBSS-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO C[C@H]1C[N@H+](CCCNc2ccsc2[N+](=O)[O-])CCCO1 ZINC000617843217 352656541 /nfs/dbraw/zinc/65/65/41/352656541.db2.gz BZYIYOXQIOIPJZ-NSHDSACASA-N 1 0 299.396 2.569 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000135470354 187832117 /nfs/dbraw/zinc/83/21/17/187832117.db2.gz HIOUSEJXAVOABE-GMXVVIOVSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)CC1CC1)CCC2 ZINC000618572354 352814722 /nfs/dbraw/zinc/81/47/22/352814722.db2.gz YRFKVBSQFUMZCO-BBRMVZONSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC12CCOCC2 ZINC000618614647 352836885 /nfs/dbraw/zinc/83/68/85/352836885.db2.gz LUVBACPRXQPRKZ-HYXAFXHYSA-N 1 0 288.347 2.863 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC([C@H]2CCOC2)C1 ZINC000619432199 353022261 /nfs/dbraw/zinc/02/22/61/353022261.db2.gz HNANCIQCHAPICC-MFBWXBCUSA-N 1 0 288.347 2.576 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000619530999 353033424 /nfs/dbraw/zinc/03/34/24/353033424.db2.gz LKWHGXARJHMNKK-JTQLQIEISA-N 1 0 264.325 2.834 20 5 CFBDRO CC(C)C1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000619705916 353056571 /nfs/dbraw/zinc/05/65/71/353056571.db2.gz DTXSZDRLVCMENJ-UHFFFAOYSA-N 1 0 291.351 2.511 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000152322487 188009336 /nfs/dbraw/zinc/00/93/36/188009336.db2.gz XLNROQVQASWOTA-KBPBESRZSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152881083 188050947 /nfs/dbraw/zinc/05/09/47/188050947.db2.gz TURIOSLORXADKC-LOKOUBMDSA-N 1 0 274.320 2.518 20 5 CFBDRO CSC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153642365 188095488 /nfs/dbraw/zinc/09/54/88/188095488.db2.gz KNRAKGVHPRDJTM-RISCZKNCSA-N 1 0 298.408 2.668 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000153819093 188105154 /nfs/dbraw/zinc/10/51/54/188105154.db2.gz CIDOCVJCXGQAFC-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000154368016 188138093 /nfs/dbraw/zinc/13/80/93/188138093.db2.gz SLOFZRBGJGLDPI-KCXAZCMYSA-N 1 0 290.363 2.893 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000154576103 188151413 /nfs/dbraw/zinc/15/14/13/188151413.db2.gz SOBNDQRFLWEYTK-STQMWFEESA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@H](c1ccccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157716648 188334619 /nfs/dbraw/zinc/33/46/19/188334619.db2.gz RFTXSVBWVGEHMU-LLVKDONJSA-N 1 0 292.314 2.623 20 5 CFBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157941517 188348018 /nfs/dbraw/zinc/34/80/18/188348018.db2.gz QEZCCFZEXOGMCX-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158262658 188366203 /nfs/dbraw/zinc/36/62/03/188366203.db2.gz DQKSTWXPUDTXIY-LBPRGKRZSA-N 1 0 266.341 2.980 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)(C)O ZINC000292924794 198463171 /nfs/dbraw/zinc/46/31/71/198463171.db2.gz GKVLHMPHNLGBSL-CYBMUJFWSA-N 1 0 266.341 2.542 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000271878953 191386140 /nfs/dbraw/zinc/38/61/40/191386140.db2.gz OWWRNZKCEKOUDK-NWANDNLSSA-N 1 0 288.347 2.642 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286434994 291063423 /nfs/dbraw/zinc/06/34/23/291063423.db2.gz SDANVJYKPBWIPK-SWLSCSKDSA-N 1 0 275.352 2.658 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cccc(F)c2[N+](=O)[O-])C1 ZINC000277010351 283094440 /nfs/dbraw/zinc/09/44/40/283094440.db2.gz LIEISYWDCPUTLV-WCQYABFASA-N 1 0 293.342 2.654 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCSC1 ZINC000271944563 191423379 /nfs/dbraw/zinc/42/33/79/191423379.db2.gz PSMMYCSQAAAHLC-NSHDSACASA-N 1 0 282.365 2.589 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(F)ccc1[N+](=O)[O-] ZINC000376261133 291127471 /nfs/dbraw/zinc/12/74/71/291127471.db2.gz XKUVSIIVNOOAMQ-AAEUAGOBSA-N 1 0 293.342 2.797 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294792413 199184581 /nfs/dbraw/zinc/18/45/81/199184581.db2.gz HQEMLTNNWVQGPO-DTORHVGOSA-N 1 0 291.134 2.515 20 5 CFBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000420629111 236662511 /nfs/dbraw/zinc/66/25/11/236662511.db2.gz QQYRFGLQJJHJKB-UHFFFAOYSA-N 1 0 296.346 2.601 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296529036 199922275 /nfs/dbraw/zinc/92/22/75/199922275.db2.gz QIONIVKMTLIOPT-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000422625686 237115060 /nfs/dbraw/zinc/11/50/60/237115060.db2.gz CJFKRDINZLNDAD-UHFFFAOYSA-N 1 0 295.770 2.576 20 5 CFBDRO CCn1ccnc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000297060953 200074482 /nfs/dbraw/zinc/07/44/82/200074482.db2.gz WAHKLPGISKJJIE-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000297330912 200151186 /nfs/dbraw/zinc/15/11/86/200151186.db2.gz NZCHSPDWPGUKBR-LRDDRELGSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000177907705 189078485 /nfs/dbraw/zinc/07/84/85/189078485.db2.gz NYXSHNAERDONJO-PWSUYJOCSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000177930426 189080360 /nfs/dbraw/zinc/08/03/60/189080360.db2.gz VCZQQBHHSRXNRQ-VXGBXAGGSA-N 1 0 264.325 2.733 20 5 CFBDRO CC(C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178856979 189151193 /nfs/dbraw/zinc/15/11/93/189151193.db2.gz UYYNBRWTVZCZKU-HNNXBMFYSA-N 1 0 280.368 2.995 20 5 CFBDRO Cc1nc(NC[C@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000301640294 540930621 /nfs/dbraw/zinc/93/06/21/540930621.db2.gz MBYWXWUCIPQGMF-CQSZACIVSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459623 189256608 /nfs/dbraw/zinc/25/66/08/189256608.db2.gz VAPZNHIMJWXMGR-GXTWGEPZSA-N 1 0 277.368 2.730 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383268 238424399 /nfs/dbraw/zinc/42/43/99/238424399.db2.gz PLIMCSVQNRXDFF-WCFLWFBJSA-N 1 0 277.368 2.694 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301458912 201016331 /nfs/dbraw/zinc/01/63/31/201016331.db2.gz ZNPRPMDWJHMGOH-WCQYABFASA-N 1 0 295.358 2.900 20 5 CFBDRO Cc1cnc(NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301463230 201018122 /nfs/dbraw/zinc/01/81/22/201018122.db2.gz VNXIIANMHRNIKO-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301635561 201107983 /nfs/dbraw/zinc/10/79/83/201107983.db2.gz DZJRDZQHKLOHIA-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCOC1 ZINC000182828154 189336451 /nfs/dbraw/zinc/33/64/51/189336451.db2.gz URHFJBCAUGYNAN-OLZOCXBDSA-N 1 0 278.352 2.933 20 5 CFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000182881240 189338263 /nfs/dbraw/zinc/33/82/63/189338263.db2.gz WXIVDGVNVBTLBP-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000183255318 189351803 /nfs/dbraw/zinc/35/18/03/189351803.db2.gz HSXUZXLQTPOPQS-ZDUSSCGKSA-N 1 0 290.363 2.904 20 5 CFBDRO CCOCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183090395 189346183 /nfs/dbraw/zinc/34/61/83/189346183.db2.gz UWDBJSXXSSREQY-LBPRGKRZSA-N 1 0 266.341 2.933 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183339669 189355647 /nfs/dbraw/zinc/35/56/47/189355647.db2.gz UTQRRRDOJXMCIQ-ZDUSSCGKSA-N 1 0 278.352 2.762 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000183355261 189356410 /nfs/dbraw/zinc/35/64/10/189356410.db2.gz ZLBCVSQUYAHCIR-OCCSQVGLSA-N 1 0 278.352 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccccn1 ZINC000183733228 189367011 /nfs/dbraw/zinc/36/70/11/189367011.db2.gz HLWMUPNINPWNIF-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO C[NH+](C)CCSc1c(F)cc([N+](=O)[O-])cc1F ZINC000301791726 201199617 /nfs/dbraw/zinc/19/96/17/201199617.db2.gz ODLMSFZKVRTSGK-UHFFFAOYSA-N 1 0 262.281 2.527 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301773128 201188976 /nfs/dbraw/zinc/18/89/76/201188976.db2.gz GKXZYXZQKRWCSO-SNVBAGLBSA-N 1 0 299.321 2.794 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000188124916 189491358 /nfs/dbraw/zinc/49/13/58/189491358.db2.gz VGPPVTKSDBRVAL-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000193661793 189648306 /nfs/dbraw/zinc/64/83/06/189648306.db2.gz RXGMQSHLFCPQMO-UHFFFAOYSA-N 1 0 266.366 2.888 20 5 CFBDRO CC1(C)CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000434987683 240282792 /nfs/dbraw/zinc/28/27/92/240282792.db2.gz OPTLARYINIDHJM-UHFFFAOYSA-N 1 0 274.324 2.749 20 5 CFBDRO CC(=O)c1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000275436884 193037451 /nfs/dbraw/zinc/03/74/51/193037451.db2.gz JQQXLMFWKROJBG-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275483048 193055285 /nfs/dbraw/zinc/05/52/85/193055285.db2.gz OMNVHCKGWVTQNO-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1cc(C)cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000444695219 241171870 /nfs/dbraw/zinc/17/18/70/241171870.db2.gz FAWSNDRFBCGPCB-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)n1 ZINC000445610703 241226645 /nfs/dbraw/zinc/22/66/45/241226645.db2.gz QSSHQKMICPJYOU-UHFFFAOYSA-N 1 0 278.356 2.503 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446713900 241314806 /nfs/dbraw/zinc/31/48/06/241314806.db2.gz BUCCYFVBGLKFEW-CYBMUJFWSA-N 1 0 278.352 2.952 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449177768 241746431 /nfs/dbraw/zinc/74/64/31/241746431.db2.gz TVRZDDJUNYOVLL-IUODEOHRSA-N 1 0 280.368 2.786 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449179213 241748955 /nfs/dbraw/zinc/74/89/55/241748955.db2.gz WAPARVXYIJBAKL-NSHDSACASA-N 1 0 266.341 2.540 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CF)CCOCC1 ZINC000449489133 241969341 /nfs/dbraw/zinc/96/93/41/241969341.db2.gz ONXYTZWFWBFIPI-UHFFFAOYSA-N 1 0 296.342 2.759 20 5 CFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449513649 241997007 /nfs/dbraw/zinc/99/70/07/241997007.db2.gz WGXHAZVIYDPBQE-ZBFHGGJFSA-N 1 0 294.395 2.974 20 5 CFBDRO C[C@@H](CCCCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449425081 241923183 /nfs/dbraw/zinc/92/31/83/241923183.db2.gz GRAFMCNLWVVWKE-XURPKSDJSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449575677 242042420 /nfs/dbraw/zinc/04/24/20/242042420.db2.gz NRQXALUFHYINGJ-IRHPPKKSSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cs1 ZINC000449552887 242024708 /nfs/dbraw/zinc/02/47/08/242024708.db2.gz KGOQTCMFTKZVIP-UPJWGTAASA-N 1 0 296.392 2.639 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449566692 242036062 /nfs/dbraw/zinc/03/60/62/242036062.db2.gz QNIFJGMXRFAMLC-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450281338 242339697 /nfs/dbraw/zinc/33/96/97/242339697.db2.gz CDTQQQQVPBYUGF-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000452126738 243055962 /nfs/dbraw/zinc/05/59/62/243055962.db2.gz KOPRGQVLLZLVIU-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453289098 243498338 /nfs/dbraw/zinc/49/83/38/243498338.db2.gz HWSHESZZXNRLIC-WXHSDQCUSA-N 1 0 278.356 2.663 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000453397323 243554272 /nfs/dbraw/zinc/55/42/72/243554272.db2.gz IEQKYPYKUYVOJJ-UONOGXRCSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330589576 203007165 /nfs/dbraw/zinc/00/71/65/203007165.db2.gz PJKUILQYGIWTRF-ZYHUDNBSSA-N 1 0 277.324 2.731 20 5 CFBDRO C[NH2+]C(C)(C)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276544859 193375246 /nfs/dbraw/zinc/37/52/46/193375246.db2.gz DNZPTFXUWHUYQR-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000290206087 296153591 /nfs/dbraw/zinc/15/35/91/296153591.db2.gz PNNKPOXCHXQUDF-ABAIWWIYSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000459735820 245294941 /nfs/dbraw/zinc/29/49/41/245294941.db2.gz FGIABGLTHRPALE-KGLIPLIRSA-N 1 0 264.325 2.560 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000459784323 245324785 /nfs/dbraw/zinc/32/47/85/245324785.db2.gz XGROMUMLRWDWTJ-OCCSQVGLSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459749284 245302800 /nfs/dbraw/zinc/30/28/00/245302800.db2.gz KJSFVYWQCIZBRH-SMYYYNMVSA-N 1 0 286.335 2.692 20 5 CFBDRO CCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000026161862 372314116 /nfs/dbraw/zinc/31/41/16/372314116.db2.gz BVAPBEHNYYZZBJ-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO Cc1ccc(C[NH2+]CCCOCC2CC2)cc1[N+](=O)[O-] ZINC000035017609 372529056 /nfs/dbraw/zinc/52/90/56/372529056.db2.gz RZWSLWATHIXYDP-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO CCCNC(=O)C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000036780818 372592545 /nfs/dbraw/zinc/59/25/45/372592545.db2.gz MWKOWLVOCRYUBJ-AWEZNQCLSA-N 1 0 293.367 2.552 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468632292 245484766 /nfs/dbraw/zinc/48/47/66/245484766.db2.gz SJYNZXOPFCLRAU-RRDVCTQDSA-N 1 0 292.379 2.995 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176993 372662351 /nfs/dbraw/zinc/66/23/51/372662351.db2.gz CQZNQMOXELVCIO-NSHDSACASA-N 1 0 252.314 2.672 20 5 CFBDRO CC(C)(C)[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037786582 372709432 /nfs/dbraw/zinc/70/94/32/372709432.db2.gz GKWGAOQABIILBQ-UHFFFAOYSA-N 1 0 291.395 2.947 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+](C)C ZINC000037988032 372750246 /nfs/dbraw/zinc/75/02/46/372750246.db2.gz YWXKSSYIEYARRC-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO Cc1cc(-c2nc(C3([NH3+])CCCC3)no2)ccc1[N+](=O)[O-] ZINC000041153189 372822653 /nfs/dbraw/zinc/82/26/53/372822653.db2.gz YWRQCIKJAUPJRL-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814554 372958738 /nfs/dbraw/zinc/95/87/38/372958738.db2.gz NOQKXCYTTFNDBY-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000045655862 373024801 /nfs/dbraw/zinc/02/48/01/373024801.db2.gz FXQGDEQZBCKSRB-QWRGUYRKSA-N 1 0 252.314 2.528 20 5 CFBDRO C[C@H]([NH2+]CCc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000048261668 373156535 /nfs/dbraw/zinc/15/65/35/373156535.db2.gz HNGKLGGFQLFFAU-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000047975375 373135001 /nfs/dbraw/zinc/13/50/01/373135001.db2.gz GIFVZAXMEHMKFA-UONOGXRCSA-N 1 0 261.325 2.634 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(F)c1 ZINC000049575309 373313604 /nfs/dbraw/zinc/31/36/04/373313604.db2.gz WFUJBVONDKSJJX-UHFFFAOYSA-N 1 0 267.304 2.632 20 5 CFBDRO CCc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000050285636 373367961 /nfs/dbraw/zinc/36/79/61/373367961.db2.gz LJLSMCCIUUILGA-UHFFFAOYSA-N 1 0 291.376 2.946 20 5 CFBDRO Cc1ncsc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050285117 373368159 /nfs/dbraw/zinc/36/81/59/373368159.db2.gz VWEWKWPCGLXCFF-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000051889190 373414999 /nfs/dbraw/zinc/41/49/99/373414999.db2.gz DSMAWNJYYPYGNB-MRVPVSSYSA-N 1 0 290.241 2.602 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000051555328 373399886 /nfs/dbraw/zinc/39/98/86/373399886.db2.gz IFRLIPDKRODLRF-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926208 373458524 /nfs/dbraw/zinc/45/85/24/373458524.db2.gz YRCLPNBYPLMOPX-KGLIPLIRSA-N 1 0 264.325 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)c(F)c1 ZINC000057385906 373592713 /nfs/dbraw/zinc/59/27/13/373592713.db2.gz IDCQDYNLZPLOPK-UHFFFAOYSA-N 1 0 267.304 2.632 20 5 CFBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000058003190 373623481 /nfs/dbraw/zinc/62/34/81/373623481.db2.gz USIDHUGGWDSBSL-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417569 383694114 /nfs/dbraw/zinc/69/41/14/383694114.db2.gz RRRUFWMCACTAMP-WFASDCNBSA-N 1 0 289.379 2.514 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000059035208 373677103 /nfs/dbraw/zinc/67/71/03/373677103.db2.gz MISYCMJGMYEXKK-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000062078326 373747609 /nfs/dbraw/zinc/74/76/09/373747609.db2.gz BTHIUCSEWZAAHQ-ZIAGYGMSSA-N 1 0 291.395 2.977 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351218 373758977 /nfs/dbraw/zinc/75/89/77/373758977.db2.gz LSPWCCGWOQFEBH-ZFWWWQNUSA-N 1 0 278.352 2.893 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000064635516 373831984 /nfs/dbraw/zinc/83/19/84/373831984.db2.gz ZJLSAIGMKNPCHX-UHFFFAOYSA-N 1 0 292.257 2.858 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000246834711 189932895 /nfs/dbraw/zinc/93/28/95/189932895.db2.gz BGYWUBWMFFKJAM-OBJOEFQTSA-N 1 0 278.352 2.979 20 5 CFBDRO CC(C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000065961428 373907250 /nfs/dbraw/zinc/90/72/50/373907250.db2.gz MWNNWHYTNLGWBC-UHFFFAOYSA-N 1 0 252.314 2.561 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000068451033 374029611 /nfs/dbraw/zinc/02/96/11/374029611.db2.gz KCIOLLZEUGQOGJ-LLVKDONJSA-N 1 0 293.367 2.962 20 5 CFBDRO C[C@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289513668 197384639 /nfs/dbraw/zinc/38/46/39/197384639.db2.gz UWHAYIXWMBBLGB-LLVKDONJSA-N 1 0 290.319 2.667 20 5 CFBDRO C[C@@H](CC1CC1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000070102370 374125819 /nfs/dbraw/zinc/12/58/19/374125819.db2.gz MHGQPEPKGWQCOH-NSHDSACASA-N 1 0 264.325 2.752 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000072743719 374282781 /nfs/dbraw/zinc/28/27/81/374282781.db2.gz NYVGWVCXZBJIET-HNNXBMFYSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1CO ZINC000492174520 246212254 /nfs/dbraw/zinc/21/22/54/246212254.db2.gz BQRWVEBAFILFIR-HZMBPMFUSA-N 1 0 298.770 2.841 20 5 CFBDRO CC1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076015086 374520868 /nfs/dbraw/zinc/52/08/68/374520868.db2.gz KQFYKFBOTCVTMA-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CCOc1cc(C[N@H+](CCOC)C2CC2)ccc1[N+](=O)[O-] ZINC000492556479 246327183 /nfs/dbraw/zinc/32/71/83/246327183.db2.gz GHRSJGSIDOGIRR-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(O)CCCC1 ZINC000084440136 374776780 /nfs/dbraw/zinc/77/67/80/374776780.db2.gz ATIZLTLRFDEHLT-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000090537758 375019615 /nfs/dbraw/zinc/01/96/15/375019615.db2.gz KTPPMTASYMXTEO-OAHLLOKOSA-N 1 0 288.351 2.922 20 5 CFBDRO CCOCC[N@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092537708 375120156 /nfs/dbraw/zinc/12/01/56/375120156.db2.gz BOIXSLHSOWOLRN-UHFFFAOYSA-N 1 0 266.341 2.762 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CS1 ZINC000094473109 375365608 /nfs/dbraw/zinc/36/56/08/375365608.db2.gz HAQRMZKQRMXZSC-GXSJLCMTSA-N 1 0 252.339 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000094663322 375373499 /nfs/dbraw/zinc/37/34/99/375373499.db2.gz SHHYOORIRGJFRJ-LBPRGKRZSA-N 1 0 263.341 2.705 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCO1 ZINC000094774515 375377759 /nfs/dbraw/zinc/37/77/59/375377759.db2.gz DQQUBHGNANUMMJ-GFCCVEGCSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797563 375379773 /nfs/dbraw/zinc/37/97/73/375379773.db2.gz NJAQPFHQDLIDPU-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO CCC[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000501109562 247100363 /nfs/dbraw/zinc/10/03/63/247100363.db2.gz HSJTXPKYVZPABM-CYBMUJFWSA-N 1 0 277.368 2.905 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108934264 375818548 /nfs/dbraw/zinc/81/85/48/375818548.db2.gz YQTZSSMKSUXKGB-WDEREUQCSA-N 1 0 279.315 2.773 20 5 CFBDRO CCC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000112409534 375918345 /nfs/dbraw/zinc/91/83/45/375918345.db2.gz FLPDDBQYDWIUKE-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO CCC[NH+](CCC)CCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000114709413 376082453 /nfs/dbraw/zinc/08/24/53/376082453.db2.gz RPRKMGLHTZBJCB-UHFFFAOYSA-N 1 0 297.403 2.561 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116390842 376184997 /nfs/dbraw/zinc/18/49/97/376184997.db2.gz SJWGMIJBSGNZAK-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000263996806 190088216 /nfs/dbraw/zinc/08/82/16/190088216.db2.gz CZHUKIKLZYPFTP-INIZCTEOSA-N 1 0 286.331 2.760 20 5 CFBDRO C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOC1 ZINC000120116452 376550634 /nfs/dbraw/zinc/55/06/34/376550634.db2.gz LOTQEDWRXNPCMW-GFCCVEGCSA-N 1 0 270.716 2.517 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120023337 376529434 /nfs/dbraw/zinc/52/94/34/376529434.db2.gz DAXGUTROPDLCIF-CFVMTHIKSA-N 1 0 290.363 2.840 20 5 CFBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000120800952 376696609 /nfs/dbraw/zinc/69/66/09/376696609.db2.gz ZHCZYQIFVZFYPF-NWDGAFQWSA-N 1 0 280.372 2.596 20 5 CFBDRO CC[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121680595 376881844 /nfs/dbraw/zinc/88/18/44/376881844.db2.gz ANDYAILZMMMYNU-UHFFFAOYSA-N 1 0 285.294 2.769 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000265032524 190153688 /nfs/dbraw/zinc/15/36/88/190153688.db2.gz VETYXNNTZJVVJN-ZDUSSCGKSA-N 1 0 289.379 2.826 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129756859 377469508 /nfs/dbraw/zinc/46/95/08/377469508.db2.gz BXZGWXKZHHWKKF-SNVBAGLBSA-N 1 0 284.747 2.539 20 5 CFBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000129784106 377472163 /nfs/dbraw/zinc/47/21/63/377472163.db2.gz JIJCABDVVFAQIC-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000265750249 190204010 /nfs/dbraw/zinc/20/40/10/190204010.db2.gz HFRVQDXIKKEQOC-CQSZACIVSA-N 1 0 292.360 2.654 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000131100772 377658174 /nfs/dbraw/zinc/65/81/74/377658174.db2.gz JVSOUMKDDIXTCU-KGLIPLIRSA-N 1 0 266.341 2.797 20 5 CFBDRO COC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265844266 190212382 /nfs/dbraw/zinc/21/23/82/190212382.db2.gz XLZIDBJYKPTMBQ-NWDGAFQWSA-N 1 0 264.325 2.624 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000044572477 284678698 /nfs/dbraw/zinc/67/86/98/284678698.db2.gz SPIVOUCDBZGBFC-LLVKDONJSA-N 1 0 251.330 2.737 20 5 CFBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000266004080 190222200 /nfs/dbraw/zinc/22/22/00/190222200.db2.gz KAKLGCSKQKJBJX-UHFFFAOYSA-N 1 0 280.368 2.620 20 5 CFBDRO CCOc1cccc(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000134914060 378064222 /nfs/dbraw/zinc/06/42/22/378064222.db2.gz ADSPNYOYYPBEJV-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000134469578 378019650 /nfs/dbraw/zinc/01/96/50/378019650.db2.gz RZBFXCDFTRIJCA-UHFFFAOYSA-N 1 0 282.388 2.795 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CSC)cc1[N+](=O)[O-] ZINC000135438339 378131031 /nfs/dbraw/zinc/13/10/31/378131031.db2.gz JRHWGCKUWXYOJG-GFCCVEGCSA-N 1 0 296.392 2.931 20 5 CFBDRO CC(C)COCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135458053 378134464 /nfs/dbraw/zinc/13/44/64/378134464.db2.gz QGWZSODCDPZXPK-GFCCVEGCSA-N 1 0 266.341 2.918 20 5 CFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000135457591 378135061 /nfs/dbraw/zinc/13/50/61/378135061.db2.gz NOXKCCWEDOKTGX-LBPRGKRZSA-N 1 0 266.366 2.922 20 5 CFBDRO COCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000571777801 383727091 /nfs/dbraw/zinc/72/70/91/383727091.db2.gz AOGFDHUNJJRNIJ-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000135696848 378158091 /nfs/dbraw/zinc/15/80/91/378158091.db2.gz VNEPFLADCWKEKC-LLVKDONJSA-N 1 0 282.365 2.589 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000135696895 378158232 /nfs/dbraw/zinc/15/82/32/378158232.db2.gz VNEPFLADCWKEKC-NSHDSACASA-N 1 0 282.365 2.589 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330414205 378549277 /nfs/dbraw/zinc/54/92/77/378549277.db2.gz ZXDLNJDRHIDYJH-SDDRHHMPSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000330497294 378571581 /nfs/dbraw/zinc/57/15/81/378571581.db2.gz XKQOXYLSRWKWDG-SWLSCSKDSA-N 1 0 278.352 2.950 20 5 CFBDRO CSC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330536814 378580647 /nfs/dbraw/zinc/58/06/47/378580647.db2.gz KBJOSDVSWVDYDV-QJPTWQEYSA-N 1 0 298.412 2.616 20 5 CFBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331022735 378616596 /nfs/dbraw/zinc/61/65/96/378616596.db2.gz ZKWSHSQVGQRCBG-GFCCVEGCSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331270849 378660743 /nfs/dbraw/zinc/66/07/43/378660743.db2.gz AVCSKJVTIPPCFY-XUJVJEKNSA-N 1 0 278.352 2.576 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000331417853 378686456 /nfs/dbraw/zinc/68/64/56/378686456.db2.gz DJNGOVAPHQZTGW-UWVGGRQHSA-N 1 0 274.324 2.701 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000332202940 378735913 /nfs/dbraw/zinc/73/59/13/378735913.db2.gz CVPJBBGKXHBWKF-CQSZACIVSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332246797 378739941 /nfs/dbraw/zinc/73/99/41/378739941.db2.gz QRDIZEPBZPTIEQ-AOLWHUPESA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332246805 378740010 /nfs/dbraw/zinc/74/00/10/378740010.db2.gz QRDIZEPBZPTIEQ-UZMCECQYSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCO1)CC2 ZINC000332112453 378727324 /nfs/dbraw/zinc/72/73/24/378727324.db2.gz CAOXZYGEFAEOBT-HNNXBMFYSA-N 1 0 276.336 2.522 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000160643386 378788293 /nfs/dbraw/zinc/78/82/93/378788293.db2.gz YPGINAAESFJXGU-ZDUSSCGKSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000161293527 378837044 /nfs/dbraw/zinc/83/70/44/378837044.db2.gz WYPMLFLCJIQVIP-ZDUSSCGKSA-N 1 0 292.383 2.770 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266282321 190245704 /nfs/dbraw/zinc/24/57/04/190245704.db2.gz UPGJGTHBAZMXMA-AWEZNQCLSA-N 1 0 289.379 2.907 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000163097032 378953386 /nfs/dbraw/zinc/95/33/86/378953386.db2.gz FKGZYPCWYBRQQP-LLVKDONJSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000165261085 379035728 /nfs/dbraw/zinc/03/57/28/379035728.db2.gz YDTQRCDTWANFJR-KYOSRNDESA-N 1 0 278.352 2.857 20 5 CFBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000266627422 190272482 /nfs/dbraw/zinc/27/24/82/190272482.db2.gz OAHYAQBVDBDMEG-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000266634847 190272856 /nfs/dbraw/zinc/27/28/56/190272856.db2.gz SRRQFHYTUHMQNY-LLVKDONJSA-N 1 0 264.325 2.815 20 5 CFBDRO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000171679636 379369105 /nfs/dbraw/zinc/36/91/05/379369105.db2.gz KQEUZMKMBFGZAJ-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266794277 190280743 /nfs/dbraw/zinc/28/07/43/190280743.db2.gz QGNLACWNOHOCOT-LLVKDONJSA-N 1 0 294.351 2.977 20 5 CFBDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266891833 190288418 /nfs/dbraw/zinc/28/84/18/190288418.db2.gz FFKDTUJYHPFZSF-CYBMUJFWSA-N 1 0 288.351 2.793 20 5 CFBDRO Cc1nccn1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266905057 190289488 /nfs/dbraw/zinc/28/94/88/190289488.db2.gz VCHWLXKIZYGSPC-GFCCVEGCSA-N 1 0 288.351 2.841 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000267141561 190305944 /nfs/dbraw/zinc/30/59/44/190305944.db2.gz YAAKDQMMIRJWSL-UHFFFAOYSA-N 1 0 259.309 2.532 20 5 CFBDRO Cc1ccnc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000267232927 190313505 /nfs/dbraw/zinc/31/35/05/190313505.db2.gz FXAPMPJHZXUMQB-VXGBXAGGSA-N 1 0 278.356 2.583 20 5 CFBDRO COc1ccc(C[N@H+](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000173288448 379720590 /nfs/dbraw/zinc/72/05/90/379720590.db2.gz YHCXCJQYCCCBQL-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCOC1 ZINC000267464646 190332381 /nfs/dbraw/zinc/33/23/81/190332381.db2.gz WCIMWSRMVCDUHV-NEPJUHHUSA-N 1 0 264.325 2.624 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC1 ZINC000173615574 379757793 /nfs/dbraw/zinc/75/77/93/379757793.db2.gz AZPKOKIASFGJIB-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000174133176 379833281 /nfs/dbraw/zinc/83/32/81/379833281.db2.gz ZKRIRNMKALGVRI-ZWNOBZJWSA-N 1 0 284.381 2.950 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174207913 379843030 /nfs/dbraw/zinc/84/30/30/379843030.db2.gz LFOYXVCRLQOWEU-HNNXBMFYSA-N 1 0 291.395 2.759 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174207925 379843941 /nfs/dbraw/zinc/84/39/41/379843941.db2.gz LFOYXVCRLQOWEU-OAHLLOKOSA-N 1 0 291.395 2.759 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000174311145 379863029 /nfs/dbraw/zinc/86/30/29/379863029.db2.gz VNGCGOWWWOCRDI-HNNXBMFYSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000267677465 190346456 /nfs/dbraw/zinc/34/64/56/190346456.db2.gz PWIGBPPPLNEDFT-AOOOYVTPSA-N 1 0 275.308 2.824 20 5 CFBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176270358 380206034 /nfs/dbraw/zinc/20/60/34/380206034.db2.gz LRRWEYFQFYQDDQ-STQMWFEESA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1nc(NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268429780 190401557 /nfs/dbraw/zinc/40/15/57/190401557.db2.gz AXFKNZWSSDJQLM-GFCCVEGCSA-N 1 0 290.323 2.606 20 5 CFBDRO CCC[C@@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176286696 380208980 /nfs/dbraw/zinc/20/89/80/380208980.db2.gz SBSJKLZXNRBQSD-AWEZNQCLSA-N 1 0 280.372 2.694 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCO)c2ccccc2)c1 ZINC000179969063 380604151 /nfs/dbraw/zinc/60/41/51/380604151.db2.gz FFDHAHHLARNVAT-INIZCTEOSA-N 1 0 286.331 2.656 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000336809479 380669136 /nfs/dbraw/zinc/66/91/36/380669136.db2.gz VNHJHIYKAXCNAK-NSHDSACASA-N 1 0 266.341 2.806 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000353783459 380850357 /nfs/dbraw/zinc/85/03/57/380850357.db2.gz XGPOHJLTJRFHIS-JTQLQIEISA-N 1 0 272.370 2.902 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000353849869 380899221 /nfs/dbraw/zinc/89/92/21/380899221.db2.gz KYBARHSZOVLHBM-DGCLKSJQSA-N 1 0 278.352 2.572 20 5 CFBDRO CC1(C)CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408335490 380922497 /nfs/dbraw/zinc/92/24/97/380922497.db2.gz VKCHZIQPEHHPSW-OAHLLOKOSA-N 1 0 290.363 2.911 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000279319656 194383901 /nfs/dbraw/zinc/38/39/01/194383901.db2.gz SEBMUXVBGQYSJE-JSGCOSHPSA-N 1 0 278.352 2.544 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000368484481 381039976 /nfs/dbraw/zinc/03/99/76/381039976.db2.gz YTJKNOSFQDLPKK-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000341489046 381045092 /nfs/dbraw/zinc/04/50/92/381045092.db2.gz QJIMRYUADKWQBV-QWRGUYRKSA-N 1 0 294.351 2.835 20 5 CFBDRO COCCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347350351 381090393 /nfs/dbraw/zinc/09/03/93/381090393.db2.gz AKGHPJGZWWZMSX-RAXLEYEMSA-N 1 0 278.352 2.966 20 5 CFBDRO COC1([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412020305 381093146 /nfs/dbraw/zinc/09/31/46/381093146.db2.gz IDKUKZJDIDENDR-LBPRGKRZSA-N 1 0 294.351 2.521 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+](C)CC1 ZINC000347335558 381077978 /nfs/dbraw/zinc/07/79/78/381077978.db2.gz KLQLBGGFRCKWDC-SDNWHVSQSA-N 1 0 289.379 2.636 20 5 CFBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077336 381146668 /nfs/dbraw/zinc/14/66/68/381146668.db2.gz JWKJJVNUZRBHRI-JQWIXIFHSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183049655 381203443 /nfs/dbraw/zinc/20/34/43/381203443.db2.gz JVPOCQHNOHMAKP-CMPLNLGQSA-N 1 0 293.367 2.866 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000183061857 381205495 /nfs/dbraw/zinc/20/54/95/381205495.db2.gz NWFOOOJIWHWWQU-RYUDHWBXSA-N 1 0 266.341 2.998 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn[nH]c1)CCC2 ZINC000289897500 381208005 /nfs/dbraw/zinc/20/80/05/381208005.db2.gz TUCLBKCNARAGFR-OAHLLOKOSA-N 1 0 286.335 2.528 20 5 CFBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000289910158 381214561 /nfs/dbraw/zinc/21/45/61/381214561.db2.gz USCCORNUMYSSJG-LLVKDONJSA-N 1 0 272.732 2.763 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000359086579 381256740 /nfs/dbraw/zinc/25/67/40/381256740.db2.gz VQUVWNBZMNEIMU-QWHCGFSZSA-N 1 0 292.383 2.891 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000359085849 381256900 /nfs/dbraw/zinc/25/69/00/381256900.db2.gz UGKNXQVSNBULQF-OLZOCXBDSA-N 1 0 290.367 2.645 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000369467100 381266755 /nfs/dbraw/zinc/26/67/55/381266755.db2.gz LETOEIXJLXAWCW-CABCVRRESA-N 1 0 276.336 2.738 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2CCCCC2)n1 ZINC000359108726 381269068 /nfs/dbraw/zinc/26/90/68/381269068.db2.gz MDNXTKOOKMLUNO-UHFFFAOYSA-N 1 0 292.383 2.895 20 5 CFBDRO CCCN(CC(=O)OCC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183294598 381250581 /nfs/dbraw/zinc/25/05/81/381250581.db2.gz RVZLHZMKEAFPNI-UHFFFAOYSA-N 1 0 294.351 2.678 20 5 CFBDRO CC[NH+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000347681178 381295170 /nfs/dbraw/zinc/29/51/70/381295170.db2.gz BCKYXJBFGIARQA-CHWSQXEVSA-N 1 0 277.368 2.509 20 5 CFBDRO CS[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296199997 381299197 /nfs/dbraw/zinc/29/91/97/381299197.db2.gz JFWUTGMQRPWVPY-AWEZNQCLSA-N 1 0 296.392 2.801 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000290108469 381301866 /nfs/dbraw/zinc/30/18/66/381301866.db2.gz ILRXYOHRWWAENR-AAEUAGOBSA-N 1 0 266.341 2.979 20 5 CFBDRO CO[C@@H](C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354458203 381282878 /nfs/dbraw/zinc/28/28/78/381282878.db2.gz PCIDPNYXFMYVLU-ZDUSSCGKSA-N 1 0 296.367 2.719 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000296345406 381354641 /nfs/dbraw/zinc/35/46/41/381354641.db2.gz IBPVGOSEISHAJN-BZPMIXESSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296618375 381476403 /nfs/dbraw/zinc/47/64/03/381476403.db2.gz WRIHFDQCKXFIAZ-GHMZBOCLSA-N 1 0 266.341 2.795 20 5 CFBDRO CC(=O)c1cc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000290567352 381482428 /nfs/dbraw/zinc/48/24/28/381482428.db2.gz AVIOQPCPMUXREQ-LLVKDONJSA-N 1 0 293.367 2.938 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000296641635 381485483 /nfs/dbraw/zinc/48/54/83/381485483.db2.gz CEAPKZAJXIHORP-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000348345320 381519725 /nfs/dbraw/zinc/51/97/25/381519725.db2.gz DYJPZXYOTBBGTJ-UHFFFAOYSA-N 1 0 294.399 2.644 20 5 CFBDRO COc1cc(N[C@H](C)C[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000290621253 381502132 /nfs/dbraw/zinc/50/21/32/381502132.db2.gz GKYBSGZITQDERK-SNVBAGLBSA-N 1 0 299.346 2.883 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185232326 381572582 /nfs/dbraw/zinc/57/25/82/381572582.db2.gz KCQYOHRCEJKZMG-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000355039165 381577915 /nfs/dbraw/zinc/57/79/15/381577915.db2.gz RQOFVYYEYRXLJK-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO C[C@H]1[C@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342828049 381571819 /nfs/dbraw/zinc/57/18/19/381571819.db2.gz AQDBRSOFHLATJS-GXSJLCMTSA-N 1 0 267.304 2.629 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332753 381593184 /nfs/dbraw/zinc/59/31/84/381593184.db2.gz RKLQAIKHWKZKHC-HUUCEWRRSA-N 1 0 290.363 2.762 20 5 CFBDRO C[C@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414925460 381612927 /nfs/dbraw/zinc/61/29/27/381612927.db2.gz HZMDLYKJPTYLPB-SNVBAGLBSA-N 1 0 291.376 2.760 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000185399782 381622270 /nfs/dbraw/zinc/62/22/70/381622270.db2.gz JBQNLZOKMJVHNP-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000298464929 381639187 /nfs/dbraw/zinc/63/91/87/381639187.db2.gz RXHFDRSBYQNHNS-UHFFFAOYSA-N 1 0 298.346 2.764 20 5 CFBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414981455 381674809 /nfs/dbraw/zinc/67/48/09/381674809.db2.gz XOMDVVJBHQPPJI-CYBMUJFWSA-N 1 0 297.786 2.726 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000291150679 381684543 /nfs/dbraw/zinc/68/45/43/381684543.db2.gz OZGWOHXFBYCDSC-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO [NH3+]CCN(Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000348895191 381758057 /nfs/dbraw/zinc/75/80/57/381758057.db2.gz QMJHICGEGHZYJS-UHFFFAOYSA-N 1 0 289.310 2.699 20 5 CFBDRO C[NH2+]C(C)(C)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291824333 381772969 /nfs/dbraw/zinc/77/29/69/381772969.db2.gz GBINJAYUMWSNDM-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO C[NH+](C)Cc1cnc(/C=C/c2ccc([N+](=O)[O-])cn2)s1 ZINC000349114640 381826362 /nfs/dbraw/zinc/82/63/62/381826362.db2.gz VCDUORYHEJLLBS-GQCTYLIASA-N 1 0 290.348 2.678 20 5 CFBDRO COc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361409088 381827387 /nfs/dbraw/zinc/82/73/87/381827387.db2.gz SQKHPAJVBURHJW-ZDUSSCGKSA-N 1 0 294.351 2.603 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1F ZINC000292773043 381828832 /nfs/dbraw/zinc/82/88/32/381828832.db2.gz PIAXJYVEARUPDZ-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000292540549 381806810 /nfs/dbraw/zinc/80/68/10/381806810.db2.gz IGWHJYVMXLMCKS-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO Cc1cc(N2CCC([NH2+]C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292583673 381809899 /nfs/dbraw/zinc/80/98/99/381809899.db2.gz LDIUSTPPQKJNDS-UHFFFAOYSA-N 1 0 293.342 2.763 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343616688 381844226 /nfs/dbraw/zinc/84/42/26/381844226.db2.gz ZNCPDKOHBQUTKK-CABZTGNLSA-N 1 0 267.304 2.629 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000349206431 381847790 /nfs/dbraw/zinc/84/77/90/381847790.db2.gz BJVNOAISUDIZLB-YPMHNXCESA-N 1 0 296.367 2.661 20 5 CFBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349253946 381867587 /nfs/dbraw/zinc/86/75/87/381867587.db2.gz RVBSGYKXGYLJQC-JTQLQIEISA-N 1 0 283.759 2.779 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000292974748 381929555 /nfs/dbraw/zinc/92/95/55/381929555.db2.gz FCRIBNNHBDDSQX-GFCCVEGCSA-N 1 0 293.342 2.656 20 5 CFBDRO COc1ccc(C[NH2+]C2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000292914192 381901251 /nfs/dbraw/zinc/90/12/51/381901251.db2.gz FSTWVTPXJZCRCD-UHFFFAOYSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000292921436 381901992 /nfs/dbraw/zinc/90/19/92/381901992.db2.gz GGALENMARAKEIQ-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000292925287 381906317 /nfs/dbraw/zinc/90/63/17/381906317.db2.gz IPRVZRAEMHTZAC-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293030656 381958463 /nfs/dbraw/zinc/95/84/63/381958463.db2.gz ABBGCCNDYQBCEE-YGRLFVJLSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C[NH+](C)C)C1 ZINC000292985274 381935170 /nfs/dbraw/zinc/93/51/70/381935170.db2.gz FYWTZTCFBKDMOR-LLVKDONJSA-N 1 0 297.786 2.945 20 5 CFBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1 ZINC000299470007 381954510 /nfs/dbraw/zinc/95/45/10/381954510.db2.gz AHOLKWBDONIQDD-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO Cc1nocc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000293133983 382001922 /nfs/dbraw/zinc/00/19/22/382001922.db2.gz CFXQMQKKZBLUFQ-JTQLQIEISA-N 1 0 261.281 2.742 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293235767 382043061 /nfs/dbraw/zinc/04/30/61/382043061.db2.gz AYOBVYONJJLHRW-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO CC[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417339204 382046831 /nfs/dbraw/zinc/04/68/31/382046831.db2.gz FHNZZCNVQOXOGA-DZGCQCFKSA-N 1 0 278.352 2.723 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000374874124 382059398 /nfs/dbraw/zinc/05/93/98/382059398.db2.gz JSFBFKGPNOIPSR-WCQYABFASA-N 1 0 278.352 2.933 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC1)CCCC2 ZINC000417306991 382035259 /nfs/dbraw/zinc/03/52/59/382035259.db2.gz DUKUQEKEEARKRI-WFASDCNBSA-N 1 0 276.336 2.741 20 5 CFBDRO C[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000357340601 382119625 /nfs/dbraw/zinc/11/96/25/382119625.db2.gz FEOHWEVCVFVHME-SZTZYQKNSA-N 1 0 276.336 2.767 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000186993342 382070882 /nfs/dbraw/zinc/07/08/82/382070882.db2.gz NKRUQRXKHFHQEQ-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362454872 382078736 /nfs/dbraw/zinc/07/87/36/382078736.db2.gz RBAJXNZJXBTWCT-BXUZGUMPSA-N 1 0 294.326 2.735 20 5 CFBDRO CCC[NH+]1CCC(N(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000301125278 382087969 /nfs/dbraw/zinc/08/79/69/382087969.db2.gz NZOJLHIAFSAXCF-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO Cc1ccnc(NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301260604 382126885 /nfs/dbraw/zinc/12/68/85/382126885.db2.gz FJNAFCBDGGGLQP-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000344102153 382130436 /nfs/dbraw/zinc/13/04/36/382130436.db2.gz DTBDNFIDSFOZQC-CYBMUJFWSA-N 1 0 284.743 2.764 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000352203057 382224198 /nfs/dbraw/zinc/22/41/98/382224198.db2.gz OQBGCTMCNUDNKA-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC(OC)C1 ZINC000352222882 382232169 /nfs/dbraw/zinc/23/21/69/382232169.db2.gz SRFYFJFQXYAMQC-UHFFFAOYSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293594548 382189434 /nfs/dbraw/zinc/18/94/34/382189434.db2.gz FSPYNCVBLMNDLJ-GHMZBOCLSA-N 1 0 286.335 2.984 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419331675 382289182 /nfs/dbraw/zinc/28/91/82/382289182.db2.gz JNZUHRJJHFLOLW-ZIAGYGMSSA-N 1 0 294.399 2.938 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000187672293 382242112 /nfs/dbraw/zinc/24/21/12/382242112.db2.gz MPVYGSRHTGXBTE-SWHYSGLUSA-N 1 0 278.352 2.713 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722726 382251220 /nfs/dbraw/zinc/25/12/20/382251220.db2.gz PRDTUXPHVMDSLP-AAEUAGOBSA-N 1 0 279.384 2.752 20 5 CFBDRO COc1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000352268086 382255276 /nfs/dbraw/zinc/25/52/76/382255276.db2.gz XQGTVOCUNSYVQQ-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO Cc1ccnc(N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000302482179 382255592 /nfs/dbraw/zinc/25/55/92/382255592.db2.gz YHCZZFORELYBKU-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000302512291 382259274 /nfs/dbraw/zinc/25/92/74/382259274.db2.gz TUXJNBWKAHAYDF-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000302507560 382259528 /nfs/dbraw/zinc/25/95/28/382259528.db2.gz RAJLCIPQUQIJJH-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO C[N@H+](CCOCC1CCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000419267141 382265144 /nfs/dbraw/zinc/26/51/44/382265144.db2.gz ILLPXZGLIATUEA-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO CCOc1cccc(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000346388575 382344309 /nfs/dbraw/zinc/34/43/09/382344309.db2.gz MAIDTNXSNBSDSN-ZDUSSCGKSA-N 1 0 293.367 2.746 20 5 CFBDRO Cc1cccc(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289547 382344340 /nfs/dbraw/zinc/34/43/40/382344340.db2.gz TWZRXOZCJFJWPM-RYUDHWBXSA-N 1 0 263.341 2.833 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420290510 382344432 /nfs/dbraw/zinc/34/44/32/382344432.db2.gz UNXRFIJRNLOTTI-WDEREUQCSA-N 1 0 281.331 2.972 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000188014349 382324464 /nfs/dbraw/zinc/32/44/64/382324464.db2.gz NLNVJCGSBFDZCI-KYOSRNDESA-N 1 0 278.352 2.797 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000302822263 382326684 /nfs/dbraw/zinc/32/66/84/382326684.db2.gz SDGLHAVPXDQQOO-AAEUAGOBSA-N 1 0 293.342 2.654 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](CCO)CC1CC1 ZINC000352450543 382338401 /nfs/dbraw/zinc/33/84/01/382338401.db2.gz RJELIYROLWOHIH-LBPRGKRZSA-N 1 0 278.352 2.669 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364618592 382340213 /nfs/dbraw/zinc/34/02/13/382340213.db2.gz DAXGUTROPDLCIF-BPLDGKMQSA-N 1 0 290.363 2.840 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000304350227 382396898 /nfs/dbraw/zinc/39/68/98/382396898.db2.gz RCACTPBTEFGFFI-XJKSGUPXSA-N 1 0 292.379 2.969 20 5 CFBDRO COc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000352540158 382386333 /nfs/dbraw/zinc/38/63/33/382386333.db2.gz HSNFZZVZMUCATK-STQMWFEESA-N 1 0 276.336 2.835 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352545811 382390144 /nfs/dbraw/zinc/39/01/44/382390144.db2.gz MADUMYKOWQFAMW-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO COC(C)(C)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346513550 382392185 /nfs/dbraw/zinc/39/21/85/382392185.db2.gz XNMCZVZGSRQATJ-UHFFFAOYSA-N 1 0 278.352 2.768 20 5 CFBDRO C[NH2+]C[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297211 382347481 /nfs/dbraw/zinc/34/74/81/382347481.db2.gz RDMLFOPZUNHURX-CHWSQXEVSA-N 1 0 277.368 2.506 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352628072 382423592 /nfs/dbraw/zinc/42/35/92/382423592.db2.gz IGDDIVBXUWGVAL-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000305162327 382429509 /nfs/dbraw/zinc/42/95/09/382429509.db2.gz RPBOQUTVXNJHLI-IVMMDQJWSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H]1O ZINC000305162330 382429537 /nfs/dbraw/zinc/42/95/37/382429537.db2.gz RPBOQUTVXNJHLI-XPKDYRNWSA-N 1 0 292.379 2.667 20 5 CFBDRO CS[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294160592 382439422 /nfs/dbraw/zinc/43/94/22/382439422.db2.gz AXWAOMWPDGMUMO-JTQLQIEISA-N 1 0 270.329 2.671 20 5 CFBDRO C[NH+](C)CC(C)(C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308638612 382482335 /nfs/dbraw/zinc/48/23/35/382482335.db2.gz VFFPTPAPBHBGKN-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CCC(C)(C)OCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000308690300 382483942 /nfs/dbraw/zinc/48/39/42/382483942.db2.gz HHZURVZFGVJNJD-UHFFFAOYSA-N 1 0 296.367 2.898 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC(C)(C)C[NH+](C)C)c1 ZINC000308646359 382484250 /nfs/dbraw/zinc/48/42/50/382484250.db2.gz FJBCJBLMHSRMEV-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOC(F)(F)F ZINC000353185401 382520254 /nfs/dbraw/zinc/52/02/54/382520254.db2.gz WDVKVHKZJUKFEU-HYXAFXHYSA-N 1 0 290.241 2.734 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCc2ncccc2C1 ZINC000366398537 382504046 /nfs/dbraw/zinc/50/40/46/382504046.db2.gz CCIUSIKJWZLZLA-UHFFFAOYSA-N 1 0 299.330 2.557 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324267451 382544512 /nfs/dbraw/zinc/54/45/12/382544512.db2.gz DRRLIDFMTHRGRT-AWEZNQCLSA-N 1 0 264.325 2.752 20 5 CFBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000358287805 382548893 /nfs/dbraw/zinc/54/88/93/382548893.db2.gz CXTRZCSEHNQPSB-UHFFFAOYSA-N 1 0 298.314 2.555 20 5 CFBDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000358306236 382558914 /nfs/dbraw/zinc/55/89/14/382558914.db2.gz UBMWZZWJJXEDHK-GFCCVEGCSA-N 1 0 278.352 2.798 20 5 CFBDRO CSCC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358319817 382565365 /nfs/dbraw/zinc/56/53/65/382565365.db2.gz PDOICKVYMVFMPJ-NEPJUHHUSA-N 1 0 298.408 2.668 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000295050986 382567641 /nfs/dbraw/zinc/56/76/41/382567641.db2.gz QHMOXXZUPNXPTJ-IAQYHMDHSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189227676 382569468 /nfs/dbraw/zinc/56/94/68/382569468.db2.gz ZPPGENNPTMRHCB-MRVPVSSYSA-N 1 0 278.230 2.782 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000382418968 382530455 /nfs/dbraw/zinc/53/04/55/382530455.db2.gz IUXYFXPYYRRBPM-QWRGUYRKSA-N 1 0 286.335 2.825 20 5 CFBDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358394265 382599368 /nfs/dbraw/zinc/59/93/68/382599368.db2.gz GSFCPRUEGGWKRH-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000387554184 382599858 /nfs/dbraw/zinc/59/98/58/382599858.db2.gz VFMHTGJICILGJQ-LBPRGKRZSA-N 1 0 279.340 2.558 20 5 CFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000387687268 382601702 /nfs/dbraw/zinc/60/17/02/382601702.db2.gz UKNJHHLPOMXUKM-CYBMUJFWSA-N 1 0 293.367 2.866 20 5 CFBDRO CO[C@H]([C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000388321104 382606575 /nfs/dbraw/zinc/60/65/75/382606575.db2.gz XIEJDNVEYUCOPX-QPUJVOFHSA-N 1 0 270.354 2.559 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353743221 382622803 /nfs/dbraw/zinc/62/28/03/382622803.db2.gz BPOFHFOQXUYDQP-DZGCQCFKSA-N 1 0 291.395 2.899 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749328 382625092 /nfs/dbraw/zinc/62/50/92/382625092.db2.gz FNUGVCIVIZVUHJ-GHMZBOCLSA-N 1 0 294.351 2.842 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749331 382625179 /nfs/dbraw/zinc/62/51/79/382625179.db2.gz FNUGVCIVIZVUHJ-WDEREUQCSA-N 1 0 294.351 2.842 20 5 CFBDRO Cc1cccnc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295131371 382578427 /nfs/dbraw/zinc/57/84/27/382578427.db2.gz YOEOJBHGZWWQAX-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191751479 382702204 /nfs/dbraw/zinc/70/22/04/382702204.db2.gz DSBDMMIJLADQGJ-RNCFNFMXSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(SCCC[NH+]2CCCCC2)nc1 ZINC000191837163 382702814 /nfs/dbraw/zinc/70/28/14/382702814.db2.gz PGXCGIHNEUAYJD-UHFFFAOYSA-N 1 0 281.381 2.958 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000192249903 382705985 /nfs/dbraw/zinc/70/59/85/382705985.db2.gz QSDNBICOKCZHRD-MNOVXSKESA-N 1 0 274.324 2.740 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000192469500 382709305 /nfs/dbraw/zinc/70/93/05/382709305.db2.gz IMUUGTPXMNZAOO-LLVKDONJSA-N 1 0 296.396 2.728 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192857737 382712987 /nfs/dbraw/zinc/71/29/87/382712987.db2.gz QAYITDKXFFLWBX-HZPDHXFCSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192870073 382713154 /nfs/dbraw/zinc/71/31/54/382713154.db2.gz QMCYEPZORVXPFR-CABCVRRESA-N 1 0 278.352 2.579 20 5 CFBDRO CC(C)[NH+](CCNc1cc(N)ccc1[N+](=O)[O-])C(C)C ZINC000193366890 382719264 /nfs/dbraw/zinc/71/92/64/382719264.db2.gz LFKYRKZXDOQVMI-UHFFFAOYSA-N 1 0 280.372 2.708 20 5 CFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000193874938 382727679 /nfs/dbraw/zinc/72/76/79/382727679.db2.gz BGDGDNCDRPCBOV-KGYLQXTDSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194005919 382732301 /nfs/dbraw/zinc/73/23/01/382732301.db2.gz CBFMDXBKGDYOJN-VXGBXAGGSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ncccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000336842807 382732568 /nfs/dbraw/zinc/73/25/68/382732568.db2.gz VMRQBLZLNOFMFO-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO CC[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000218839652 382790966 /nfs/dbraw/zinc/79/09/66/382790966.db2.gz YEXMERHMQDEOAD-UHFFFAOYSA-N 1 0 297.330 2.639 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCCO ZINC000194215917 382737774 /nfs/dbraw/zinc/73/77/74/382737774.db2.gz QZALWNDKMTVEDB-HIFRSBDPSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000219251885 382792898 /nfs/dbraw/zinc/79/28/98/382792898.db2.gz ICHGCBJDMXKSTQ-NSHDSACASA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222544578 382802449 /nfs/dbraw/zinc/80/24/49/382802449.db2.gz DUKOUDIVKLJCED-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000575997110 382806768 /nfs/dbraw/zinc/80/67/68/382806768.db2.gz QWTIHNHCKJIRLB-JTQLQIEISA-N 1 0 298.362 2.848 20 5 CFBDRO CC(C)OCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000225218067 382813580 /nfs/dbraw/zinc/81/35/80/382813580.db2.gz NTUGHDRMLMANJN-UHFFFAOYSA-N 1 0 280.368 2.932 20 5 CFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000337481457 382828772 /nfs/dbraw/zinc/82/87/72/382828772.db2.gz QUQRRKTWOBKINY-HIFRSBDPSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337485478 382829111 /nfs/dbraw/zinc/82/91/11/382829111.db2.gz YJYCCSACQBDPIQ-FZMZJTMJSA-N 1 0 291.351 2.702 20 5 CFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227651060 382839055 /nfs/dbraw/zinc/83/90/55/382839055.db2.gz JSDIJUUWHQGVMW-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227857615 382841538 /nfs/dbraw/zinc/84/15/38/382841538.db2.gz DTBBATHAHXMWEV-SNVBAGLBSA-N 1 0 297.330 2.639 20 5 CFBDRO CC(C)[N@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889551 382842158 /nfs/dbraw/zinc/84/21/58/382842158.db2.gz OGCIVEZZRKZGPK-UHFFFAOYSA-N 1 0 273.283 2.625 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000230379246 382860782 /nfs/dbraw/zinc/86/07/82/382860782.db2.gz UHMRLTJMNOVZQG-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@]1(CO)CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577528911 382862822 /nfs/dbraw/zinc/86/28/22/382862822.db2.gz KRYPEUDUFGPNME-NUEKZKHPSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1c(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884223 382867464 /nfs/dbraw/zinc/86/74/64/382867464.db2.gz AXNWHPCFQSVUSA-RISCZKNCSA-N 1 0 289.379 2.618 20 5 CFBDRO Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000337837100 382870398 /nfs/dbraw/zinc/87/03/98/382870398.db2.gz XXLBTTHDFVPTNY-UHFFFAOYSA-N 1 0 271.320 2.977 20 5 CFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000232894089 382870446 /nfs/dbraw/zinc/87/04/46/382870446.db2.gz UGVNWXBGHVCXEU-LLVKDONJSA-N 1 0 298.774 2.833 20 5 CFBDRO CC[C@@]1(O)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224402 382972611 /nfs/dbraw/zinc/97/26/11/382972611.db2.gz MLVAWHUOWABFCK-BXUZGUMPSA-N 1 0 264.325 2.503 20 5 CFBDRO CC(C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548761170 382980072 /nfs/dbraw/zinc/98/00/72/382980072.db2.gz LBCQHKIFKIQWKZ-UHFFFAOYSA-N 1 0 279.340 2.559 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCOC1 ZINC000245532483 383004833 /nfs/dbraw/zinc/00/48/33/383004833.db2.gz URHFJBCAUGYNAN-QWHCGFSZSA-N 1 0 278.352 2.933 20 5 CFBDRO CC[NH+](CC)CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338271511 382970015 /nfs/dbraw/zinc/97/00/15/382970015.db2.gz RSCFYIQBAIJCQI-UHFFFAOYSA-N 1 0 291.395 2.685 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC000338711333 383029354 /nfs/dbraw/zinc/02/93/54/383029354.db2.gz JLBPRUDFHNZINL-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000579662367 383038835 /nfs/dbraw/zinc/03/88/35/383038835.db2.gz OAVBXDQNLPULBA-OLZOCXBDSA-N 1 0 278.352 2.980 20 5 CFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000447903691 383027709 /nfs/dbraw/zinc/02/77/09/383027709.db2.gz NZRNGCBWXGFMIF-GFCCVEGCSA-N 1 0 297.424 2.866 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCC1 ZINC000423515946 383125011 /nfs/dbraw/zinc/12/50/11/383125011.db2.gz XRDGWIFGGYHBPJ-IUODEOHRSA-N 1 0 291.395 2.633 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423467352 383107177 /nfs/dbraw/zinc/10/71/77/383107177.db2.gz DSYHJKZAPIRXSS-GWCFXTLKSA-N 1 0 299.321 2.551 20 5 CFBDRO CCN1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449093899 383172514 /nfs/dbraw/zinc/17/25/14/383172514.db2.gz QHYAMBXLBYCZFZ-UKRRQHHQSA-N 1 0 291.395 2.600 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449198854 383183752 /nfs/dbraw/zinc/18/37/52/383183752.db2.gz AEIWBCKAFQUQKB-DUVNUKRYSA-N 1 0 292.379 2.931 20 5 CFBDRO Cn1cc(C[NH2+][C@@H]2CC23CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424182425 383199280 /nfs/dbraw/zinc/19/92/80/383199280.db2.gz HEXRHATYIXXVCS-CQSZACIVSA-N 1 0 298.346 2.637 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000339468560 383208314 /nfs/dbraw/zinc/20/83/14/383208314.db2.gz ODJQVPCYMGZSJU-MRXNPFEDSA-N 1 0 292.379 2.934 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000449064279 383158044 /nfs/dbraw/zinc/15/80/44/383158044.db2.gz OZYUMVJRDFNNLT-LLVKDONJSA-N 1 0 260.293 2.909 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000449083173 383167626 /nfs/dbraw/zinc/16/76/26/383167626.db2.gz ATBRAPUVXLCOQA-OLZOCXBDSA-N 1 0 278.352 2.542 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449417606 383277828 /nfs/dbraw/zinc/27/78/28/383277828.db2.gz ZFRQOMVTFYXFOT-BRLPQQTGSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000449322714 383217040 /nfs/dbraw/zinc/21/70/40/383217040.db2.gz PZIDBJJICIPVCP-GUTXKFCHSA-N 1 0 292.379 2.788 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)CCO ZINC000449356071 383235863 /nfs/dbraw/zinc/23/58/63/383235863.db2.gz FTCWEBIBRLKUGY-JFBXQDQPSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519834050 383241784 /nfs/dbraw/zinc/24/17/84/383241784.db2.gz RSEXXKRXPQLIEI-ZWNOBZJWSA-N 1 0 278.352 2.721 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123538 383244873 /nfs/dbraw/zinc/24/48/73/383244873.db2.gz LJAHRGOUJNKDOD-BREBYQMCSA-N 1 0 264.325 2.595 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449492318 383330323 /nfs/dbraw/zinc/33/03/23/383330323.db2.gz IZRGYUVKTFXKER-SWLSCSKDSA-N 1 0 278.352 2.842 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449492316 383330798 /nfs/dbraw/zinc/33/07/98/383330798.db2.gz IZRGYUVKTFXKER-IUODEOHRSA-N 1 0 278.352 2.842 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449502555 383339017 /nfs/dbraw/zinc/33/90/17/383339017.db2.gz OSGQDAVYNGLFNG-WFASDCNBSA-N 1 0 278.352 2.760 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449503355 383340323 /nfs/dbraw/zinc/34/03/23/383340323.db2.gz PLAHQNNGNVLIDH-IINYFYTJSA-N 1 0 282.315 2.591 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449504618 383341580 /nfs/dbraw/zinc/34/15/80/383341580.db2.gz QUCSNAMZISBGAC-ABAIWWIYSA-N 1 0 296.342 2.981 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449506688 383342267 /nfs/dbraw/zinc/34/22/67/383342267.db2.gz ZKIJESWVNZDLCR-CQSZACIVSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827254 383346416 /nfs/dbraw/zinc/34/64/16/383346416.db2.gz UWUSYFFMJCWPCL-TVQRCGJNSA-N 1 0 279.315 2.629 20 5 CFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248823494 383294001 /nfs/dbraw/zinc/29/40/01/383294001.db2.gz FNBRWFZFZHUVKA-SOUVJXGZSA-N 1 0 290.363 2.721 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1Cl ZINC000249852621 383364715 /nfs/dbraw/zinc/36/47/15/383364715.db2.gz PQOCRRDXFSUHAD-SUHUHFCYSA-N 1 0 296.754 2.905 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340230386 383385971 /nfs/dbraw/zinc/38/59/71/383385971.db2.gz HGCGSVWPODSESA-ABAIWWIYSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252673151 383426010 /nfs/dbraw/zinc/42/60/10/383426010.db2.gz GTGYSTNKGVWSMT-OCCSQVGLSA-N 1 0 261.325 2.634 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000569279099 383483633 /nfs/dbraw/zinc/48/36/33/383483633.db2.gz QWTIHNHCKJIRLB-SNVBAGLBSA-N 1 0 298.362 2.848 20 5 CFBDRO COC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000569258737 383482807 /nfs/dbraw/zinc/48/28/07/383482807.db2.gz KEMVNSLEILMZSM-KBPBESRZSA-N 1 0 276.336 2.597 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000255024702 383474067 /nfs/dbraw/zinc/47/40/67/383474067.db2.gz YNCCAVMSIWKZJZ-RYWCDNDXSA-N 1 0 276.336 2.576 20 5 CFBDRO CCn1ccnc1[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000450828046 383507517 /nfs/dbraw/zinc/50/75/17/383507517.db2.gz JDYSBCQBHBESJO-JTQLQIEISA-N 1 0 275.312 2.688 20 5 CFBDRO CCn1ccnc1[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000450827481 383507552 /nfs/dbraw/zinc/50/75/52/383507552.db2.gz HZLNQQCFUMTEQS-JTQLQIEISA-N 1 0 260.297 2.984 20 5 CFBDRO CCn1ccnc1[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000450828477 383507872 /nfs/dbraw/zinc/50/78/72/383507872.db2.gz KOTVCEQDGRVQAV-LLVKDONJSA-N 1 0 289.339 2.996 20 5 CFBDRO [NH3+]C1(c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)CCC1 ZINC000261928315 383581155 /nfs/dbraw/zinc/58/11/55/383581155.db2.gz LEIRDKCGJNQOIJ-UHFFFAOYSA-N 1 0 294.698 2.636 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H](C)O ZINC000570266930 383588119 /nfs/dbraw/zinc/58/81/19/383588119.db2.gz MXDBLCWVLSZIQO-VXGBXAGGSA-N 1 0 266.341 2.715 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000451380819 383603545 /nfs/dbraw/zinc/60/35/45/383603545.db2.gz SXUBKCCLWUDGHK-UHFFFAOYSA-N 1 0 287.319 2.501 20 5 CFBDRO CO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000570463316 383605870 /nfs/dbraw/zinc/60/58/70/383605870.db2.gz YCGWHLWRVXJZTJ-DZGCQCFKSA-N 1 0 278.352 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCCO3)C2)cc1 ZINC000451551233 383643608 /nfs/dbraw/zinc/64/36/08/383643608.db2.gz TYPVIVGLQOIQBN-GOEBONIOSA-N 1 0 290.363 2.953 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCCCO)C2)cc1 ZINC000451550900 383643952 /nfs/dbraw/zinc/64/39/52/383643952.db2.gz SWIDGQQYBDEGCI-HNNXBMFYSA-N 1 0 292.379 2.937 20 5 CFBDRO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553595 383645477 /nfs/dbraw/zinc/64/54/77/383645477.db2.gz YAXNKQKNHVDFRL-ZBFHGGJFSA-N 1 0 292.379 2.791 20 5 CFBDRO CC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)COC1 ZINC000490052628 383649802 /nfs/dbraw/zinc/64/98/02/383649802.db2.gz GGYUPMQTBVMYMI-UHFFFAOYSA-N 1 0 276.336 2.596 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000451436533 383615541 /nfs/dbraw/zinc/61/55/41/383615541.db2.gz KKZSTBKTKQJRBU-GFCCVEGCSA-N 1 0 268.361 2.596 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000451434697 383615655 /nfs/dbraw/zinc/61/56/55/383615655.db2.gz IAIILINBBKYCDX-CYBMUJFWSA-N 1 0 295.383 2.561 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CC1(C)C ZINC000489472049 383621963 /nfs/dbraw/zinc/62/19/63/383621963.db2.gz BRRBLOVPXBCIHW-LBPRGKRZSA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cn[nH]c1 ZINC000572694666 383806765 /nfs/dbraw/zinc/80/67/65/383806765.db2.gz OOCCOWOLGPBAPQ-SNVBAGLBSA-N 1 0 299.334 2.693 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000436407987 383813404 /nfs/dbraw/zinc/81/34/04/383813404.db2.gz LLWXKGRJGKLNJZ-JQWIXIFHSA-N 1 0 294.351 2.890 20 5 CFBDRO Cc1cnc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000453601818 383870367 /nfs/dbraw/zinc/87/03/67/383870367.db2.gz VZNKKEGJLQIJLB-GQCTYLIASA-N 1 0 298.346 2.539 20 5 CFBDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281003650 195065247 /nfs/dbraw/zinc/06/52/47/195065247.db2.gz KXFZWAAOWAXIDU-BIBXISHDSA-N 1 0 296.392 2.547 20 5 CFBDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983670 383953490 /nfs/dbraw/zinc/95/34/90/383953490.db2.gz SMVJGUWVZZKOPH-CHWSQXEVSA-N 1 0 277.368 2.587 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000532549491 384046411 /nfs/dbraw/zinc/04/64/11/384046411.db2.gz KPDINXYACCAOHN-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC1CC1 ZINC000532505941 384038270 /nfs/dbraw/zinc/03/82/70/384038270.db2.gz XXONKDJBSQNLIL-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO COc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420272249 533036114 /nfs/dbraw/zinc/03/61/14/533036114.db2.gz DHZUJLVFBZBGFK-WDEREUQCSA-N 1 0 279.340 2.533 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266231213 285090524 /nfs/dbraw/zinc/09/05/24/285090524.db2.gz JMBLNGQZMRMEJR-LBPRGKRZSA-N 1 0 293.754 2.699 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000247297339 285095834 /nfs/dbraw/zinc/09/58/34/285095834.db2.gz CXHHTYYVLDAZJZ-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000277193745 384228313 /nfs/dbraw/zinc/22/83/13/384228313.db2.gz MAQCDUYNOYQROR-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000277440157 384303245 /nfs/dbraw/zinc/30/32/45/384303245.db2.gz DUYNUIBUHUPGTC-HNNXBMFYSA-N 1 0 289.379 2.701 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000277524448 384326433 /nfs/dbraw/zinc/32/64/33/384326433.db2.gz QZSQZQLGHOUWGG-WCQYABFASA-N 1 0 294.351 2.508 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000277823371 384416557 /nfs/dbraw/zinc/41/65/57/384416557.db2.gz RBHUWYHYFBCDFP-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000343955240 220280017 /nfs/dbraw/zinc/28/00/17/220280017.db2.gz KUZLPHZEVGJRAB-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000348330126 220291430 /nfs/dbraw/zinc/29/14/30/220291430.db2.gz HIQXVBQEDRWVKE-PWSUYJOCSA-N 1 0 265.357 2.504 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000355141879 285112602 /nfs/dbraw/zinc/11/26/02/285112602.db2.gz YSRRSTIFYQPXCK-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278030228 384461896 /nfs/dbraw/zinc/46/18/96/384461896.db2.gz WXRXYTHAKGUSMN-ZANVPECISA-N 1 0 284.743 2.763 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570590937 322540356 /nfs/dbraw/zinc/54/03/56/322540356.db2.gz ZPULUDQFSZXLFK-ZKYQVNSYSA-N 1 0 264.325 2.731 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268869010 384681692 /nfs/dbraw/zinc/68/16/92/384681692.db2.gz TZFBCAWUZHISRN-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268895297 384689098 /nfs/dbraw/zinc/68/90/98/384689098.db2.gz ZSXQBQUXSFVKAH-SWLSCSKDSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268929228 384696457 /nfs/dbraw/zinc/69/64/57/384696457.db2.gz ZAUSBTCFGHZXRB-NVBFEUDRSA-N 1 0 280.368 2.961 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000268974761 384706553 /nfs/dbraw/zinc/70/65/53/384706553.db2.gz JARPWCZFFLGIBQ-UHFFFAOYSA-N 1 0 276.336 2.740 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739330 384743005 /nfs/dbraw/zinc/74/30/05/384743005.db2.gz KKPUWBVDDFEMGF-YPMHNXCESA-N 1 0 296.342 2.859 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOC1)CCC2 ZINC000192839972 285144587 /nfs/dbraw/zinc/14/45/87/285144587.db2.gz MDLBWCQVPSCDAM-DOMZBBRYSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000287602685 285156518 /nfs/dbraw/zinc/15/65/18/285156518.db2.gz YKHUKWXZJAWOOW-LBPRGKRZSA-N 1 0 293.342 2.799 20 5 CFBDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282181951 385239431 /nfs/dbraw/zinc/23/94/31/385239431.db2.gz FRQGVQVLRSYRIL-RNODOKPDSA-N 1 0 296.392 2.547 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000289093927 197232857 /nfs/dbraw/zinc/23/28/57/197232857.db2.gz OZGWOHXFBYCDSC-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO C[C@@H](c1cnccn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282405243 385302638 /nfs/dbraw/zinc/30/26/38/385302638.db2.gz IDGBFFXZWOZKNB-LBPRGKRZSA-N 1 0 286.335 2.620 20 5 CFBDRO Cc1cncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282419918 385306244 /nfs/dbraw/zinc/30/62/44/385306244.db2.gz JHXJGOXUPIJQLQ-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282475404 385320463 /nfs/dbraw/zinc/32/04/63/385320463.db2.gz LAZPMXYCSTXQQK-GXTWGEPZSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000271004054 385298684 /nfs/dbraw/zinc/29/86/84/385298684.db2.gz GQDQBLRARJSJID-XUJVJEKNSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1nnc([C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282400637 385300704 /nfs/dbraw/zinc/30/07/04/385300704.db2.gz HRLPNUXLZQTADG-SNVBAGLBSA-N 1 0 290.323 2.522 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000153061768 285161462 /nfs/dbraw/zinc/16/14/62/285161462.db2.gz QPDAMBOPGSFDJW-HUUCEWRRSA-N 1 0 290.363 2.685 20 5 CFBDRO C[N@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282996364 385421651 /nfs/dbraw/zinc/42/16/51/385421651.db2.gz FHKOZUZXFQBGSC-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272215440 385476815 /nfs/dbraw/zinc/47/68/15/385476815.db2.gz QZQYNXRBEOSOIH-YGRLFVJLSA-N 1 0 295.770 2.779 20 5 CFBDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283990549 385521247 /nfs/dbraw/zinc/52/12/47/385521247.db2.gz HIMNBQLCFSCGTD-DTWKUNHWSA-N 1 0 269.370 2.579 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000272516010 385556562 /nfs/dbraw/zinc/55/65/62/385556562.db2.gz KTVYHQJLARRWNL-UKRRQHHQSA-N 1 0 278.352 2.578 20 5 CFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000272583356 385568591 /nfs/dbraw/zinc/56/85/91/385568591.db2.gz SBQVIFLYRGZAFL-DZGCQCFKSA-N 1 0 278.352 2.578 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272700834 385591598 /nfs/dbraw/zinc/59/15/98/385591598.db2.gz YNKLICUOUOEXIJ-NXEZZACHSA-N 1 0 286.759 2.804 20 5 CFBDRO CCOC1CC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000286720558 385695561 /nfs/dbraw/zinc/69/55/61/385695561.db2.gz GGMBFCITRMPLHE-UHFFFAOYSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2=CCCOC2)cccc1[N+](=O)[O-] ZINC000286916718 385739462 /nfs/dbraw/zinc/73/94/62/385739462.db2.gz FJQFKJCLLWDLEH-LBPRGKRZSA-N 1 0 276.336 2.901 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000275031668 385916623 /nfs/dbraw/zinc/91/66/23/385916623.db2.gz CMAKIEFOEIUZDL-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000275241070 385963594 /nfs/dbraw/zinc/96/35/94/385963594.db2.gz OLBSKBJXNBGMQY-GXTWGEPZSA-N 1 0 294.351 2.521 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000275289503 385972343 /nfs/dbraw/zinc/97/23/43/385972343.db2.gz XUPXZZCILKWERM-HIFRSBDPSA-N 1 0 294.351 2.651 20 5 CFBDRO C[NH+](C)[C@@]1(CNc2c(F)cccc2[N+](=O)[O-])CCSC1 ZINC000288489884 197093441 /nfs/dbraw/zinc/09/34/41/197093441.db2.gz RNAJPYLTSAWWJM-CYBMUJFWSA-N 1 0 299.371 2.583 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281271186 195174785 /nfs/dbraw/zinc/17/47/85/195174785.db2.gz NUJWWAQPQVSJQS-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CN(C)c1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001168768785 781978790 /nfs/dbraw/zinc/97/87/90/781978790.db2.gz IFENOZSTMMLLPM-UHFFFAOYSA-N 1 0 294.399 2.661 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000468620798 533409606 /nfs/dbraw/zinc/40/96/06/533409606.db2.gz UNYMJPXOXOXEIL-CZLHVJRPSA-N 1 0 290.363 2.891 20 5 CFBDRO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423253602 533411849 /nfs/dbraw/zinc/41/18/49/533411849.db2.gz ZCEWJQRILJYFBI-MLGOLLRUSA-N 1 0 285.347 2.945 20 5 CFBDRO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423245285 533412161 /nfs/dbraw/zinc/41/21/61/533412161.db2.gz OLQWOYHBAFKBKV-MLGOLLRUSA-N 1 0 285.347 2.945 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000418090420 533669764 /nfs/dbraw/zinc/66/97/64/533669764.db2.gz CPHPBPKSFMFGMN-ZDUSSCGKSA-N 1 0 296.367 2.754 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000342039556 130253039 /nfs/dbraw/zinc/25/30/39/130253039.db2.gz WARLABQLPQAULF-HUUCEWRRSA-N 1 0 294.326 2.877 20 5 CFBDRO CC(C)[NH+](CCN(C)c1ncccc1[N+](=O)[O-])C(C)C ZINC000355565931 130314044 /nfs/dbraw/zinc/31/40/44/130314044.db2.gz MUZYZRHKUNPMPK-UHFFFAOYSA-N 1 0 280.372 2.545 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000342186044 130322712 /nfs/dbraw/zinc/32/27/12/130322712.db2.gz CZKRRKIDLSDUQT-WDEREUQCSA-N 1 0 256.252 2.646 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268988731 132096415 /nfs/dbraw/zinc/09/64/15/132096415.db2.gz FOKHFUSFBTZVGS-NEPJUHHUSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000301370112 393470561 /nfs/dbraw/zinc/47/05/61/393470561.db2.gz SDRKHQWKCVJQCQ-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301473163 393472388 /nfs/dbraw/zinc/47/23/88/393472388.db2.gz QQIDOISCICRHOP-ZDUSSCGKSA-N 1 0 277.368 2.763 20 5 CFBDRO Cc1cc(NC(C)(C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000308668416 393516163 /nfs/dbraw/zinc/51/61/63/393516163.db2.gz QOXDNVLHXYKFOF-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000035009741 393518008 /nfs/dbraw/zinc/51/80/08/393518008.db2.gz SFZPZJNBTUSJPC-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191701922 393603168 /nfs/dbraw/zinc/60/31/68/393603168.db2.gz YDTMLKWXRKLSNV-GARJFASQSA-N 1 0 252.314 2.669 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070177842 393637833 /nfs/dbraw/zinc/63/78/33/393637833.db2.gz XCNLGZVYACCRGY-IINYFYTJSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000195510745 393742263 /nfs/dbraw/zinc/74/22/63/393742263.db2.gz AAGOTILASYMVFV-GMTAPVOTSA-N 1 0 298.412 2.830 20 5 CFBDRO CCCCNC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411775053 393746645 /nfs/dbraw/zinc/74/66/45/393746645.db2.gz WOWCZVWKNXMQOU-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCC1(O)CCC1)C1CC1 ZINC000411396217 393708036 /nfs/dbraw/zinc/70/80/36/393708036.db2.gz FKIWXEHKBWZLKK-UHFFFAOYSA-N 1 0 290.363 2.864 20 5 CFBDRO CCCCNC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411453899 393714367 /nfs/dbraw/zinc/71/43/67/393714367.db2.gz KDXSAEUDFVKFGX-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO O=[N+]([O-])c1cn(CCC[NH+]2CCCCC2)nc1C1CC1 ZINC000195040467 393728844 /nfs/dbraw/zinc/72/88/44/393728844.db2.gz OMKGELOMNLROOR-UHFFFAOYSA-N 1 0 278.356 2.545 20 5 CFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424340211 393836535 /nfs/dbraw/zinc/83/65/35/393836535.db2.gz XHMJCWMPYZGADD-VXGBXAGGSA-N 1 0 283.759 2.608 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)nc1 ZINC000245451378 393805717 /nfs/dbraw/zinc/80/57/17/393805717.db2.gz PLKZYKBZVZVKSA-CHWSQXEVSA-N 1 0 288.351 2.585 20 5 CFBDRO CC(C)C[C@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414851514 393806785 /nfs/dbraw/zinc/80/67/85/393806785.db2.gz OZLIHBOXGPRSDI-HZRUHFOJSA-N 1 0 277.368 2.571 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245536120 393813448 /nfs/dbraw/zinc/81/34/48/393813448.db2.gz XHUINEDNBNMNQR-DOMZBBRYSA-N 1 0 278.352 2.811 20 5 CFBDRO COC[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178796 393898596 /nfs/dbraw/zinc/89/85/96/393898596.db2.gz ODSZEVMIECSZKD-JEMSNHSXSA-N 1 0 290.363 2.966 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@@H](C)C1 ZINC000470172699 393899248 /nfs/dbraw/zinc/89/92/48/393899248.db2.gz AJTIZBGOCLLENA-CZAWJFPGSA-N 1 0 290.363 2.966 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000342216417 393862006 /nfs/dbraw/zinc/86/20/06/393862006.db2.gz XJJWMILQTZUTJN-LBPRGKRZSA-N 1 0 279.384 2.758 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000347075972 393936712 /nfs/dbraw/zinc/93/67/12/393936712.db2.gz UVPKCFKPIKKLGC-DOMZBBRYSA-N 1 0 277.368 2.605 20 5 CFBDRO Cc1cnn(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429234902 393946018 /nfs/dbraw/zinc/94/60/18/393946018.db2.gz ZPRURFCCQZZMHT-UHFFFAOYSA-N 1 0 288.351 2.625 20 5 CFBDRO CC(C)([NH2+]CCOCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000429264437 393949299 /nfs/dbraw/zinc/94/92/99/393949299.db2.gz MMSMWHDKGIMUCK-UHFFFAOYSA-N 1 0 278.352 2.846 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000471821195 393920472 /nfs/dbraw/zinc/92/04/72/393920472.db2.gz PMXOZDQRTIXNHR-UHFFFAOYSA-N 1 0 280.368 2.934 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000418137472 394019160 /nfs/dbraw/zinc/01/91/60/394019160.db2.gz BQOLGBNNZMCUCC-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417391178 393955213 /nfs/dbraw/zinc/95/52/13/393955213.db2.gz RGGLGZKRQLIPCC-JQWIXIFHSA-N 1 0 299.321 2.585 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(CC[NH+](C)C)CC(C)C ZINC000348904426 393960480 /nfs/dbraw/zinc/96/04/80/393960480.db2.gz MQUBGHUKIVBYNC-UHFFFAOYSA-N 1 0 293.411 2.923 20 5 CFBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349253947 393965738 /nfs/dbraw/zinc/96/57/38/393965738.db2.gz RVBSGYKXGYLJQC-SNVBAGLBSA-N 1 0 283.759 2.779 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000430194756 393966147 /nfs/dbraw/zinc/96/61/47/393966147.db2.gz KSSCGXLYPYLFMF-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000430194759 393966396 /nfs/dbraw/zinc/96/63/96/393966396.db2.gz KSSCGXLYPYLFMF-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000430225467 393970789 /nfs/dbraw/zinc/97/07/89/393970789.db2.gz XZOTWRWQZQQGLO-ZIAGYGMSSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000277697073 394057498 /nfs/dbraw/zinc/05/74/98/394057498.db2.gz HWNLDXFPUMIJMN-SUNKGSAMSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H](O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279036505 394065172 /nfs/dbraw/zinc/06/51/72/394065172.db2.gz IYVQFIFOQZYUEF-HZMBPMFUSA-N 1 0 278.352 2.678 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279221517 394065617 /nfs/dbraw/zinc/06/56/17/394065617.db2.gz ZBZYOUOICLPCMX-IINYFYTJSA-N 1 0 278.352 2.678 20 5 CFBDRO CC[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279221519 394066037 /nfs/dbraw/zinc/06/60/37/394066037.db2.gz ZBZYOUOICLPCMX-QMTHXVAHSA-N 1 0 278.352 2.678 20 5 CFBDRO CC(C)[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488011662 394035322 /nfs/dbraw/zinc/03/53/22/394035322.db2.gz RVKJYQQLGYTOOK-CZUORRHYSA-N 1 0 291.395 2.928 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286005980 394178296 /nfs/dbraw/zinc/17/82/96/394178296.db2.gz PCVGLLDJRIIGFQ-KWBADKCTSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286005983 394178319 /nfs/dbraw/zinc/17/83/19/394178319.db2.gz PCVGLLDJRIIGFQ-NRUUGDAUSA-N 1 0 266.366 2.997 20 5 CFBDRO Cc1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420275886 394113949 /nfs/dbraw/zinc/11/39/49/394113949.db2.gz HGBDJLLLSFFGJI-NWDGAFQWSA-N 1 0 263.341 2.833 20 5 CFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282331500 394123379 /nfs/dbraw/zinc/12/33/79/394123379.db2.gz UTGAQNYYSPQGMT-HIFRSBDPSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084563 394145734 /nfs/dbraw/zinc/14/57/34/394145734.db2.gz UBLUXAPXSQQJGT-WDEREUQCSA-N 1 0 281.331 2.571 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@@H+]1C ZINC000421003787 394153400 /nfs/dbraw/zinc/15/34/00/394153400.db2.gz NIZMYDYFWXUYHL-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363674165 394198633 /nfs/dbraw/zinc/19/86/33/394198633.db2.gz MBYPEUQTBNEYJB-BETUJISGSA-N 1 0 299.330 2.819 20 5 CFBDRO CC[C@@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000421367003 394204040 /nfs/dbraw/zinc/20/40/40/394204040.db2.gz ASTRGSBKSSYRGU-SNVBAGLBSA-N 1 0 282.340 2.748 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000421367871 394204253 /nfs/dbraw/zinc/20/42/53/394204253.db2.gz AGSPRIBJOYNMQY-KGLIPLIRSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCC1 ZINC000449118716 394219194 /nfs/dbraw/zinc/21/91/94/394219194.db2.gz ZHKNXBMAHBJDQS-ZDUSSCGKSA-N 1 0 292.379 2.811 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796638 394227161 /nfs/dbraw/zinc/22/71/61/394227161.db2.gz DJFIRTSXBYZUQC-ZJUUUORDSA-N 1 0 254.355 2.997 20 5 CFBDRO CCCCN(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449146855 394229584 /nfs/dbraw/zinc/22/95/84/394229584.db2.gz OOFXNNJOSHRWRC-AWEZNQCLSA-N 1 0 293.411 2.847 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000449160560 394235962 /nfs/dbraw/zinc/23/59/62/394235962.db2.gz BMWAJKBLSDDEAZ-UMVBOHGHSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[C@H](C)O ZINC000449164985 394237121 /nfs/dbraw/zinc/23/71/21/394237121.db2.gz SFPWHXHZMZPSEH-XQQFMLRXSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C[C@H](C)O ZINC000449164182 394237230 /nfs/dbraw/zinc/23/72/30/394237230.db2.gz YMSRCKAEFSJPQO-OLZOCXBDSA-N 1 0 294.395 2.913 20 5 CFBDRO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291172677 394237364 /nfs/dbraw/zinc/23/73/64/394237364.db2.gz DTFIOCZYHPYZBC-AWEZNQCLSA-N 1 0 264.325 2.594 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000449194198 394249030 /nfs/dbraw/zinc/24/90/30/394249030.db2.gz OWKFTXDCZFMUJN-IUODEOHRSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000449230038 394260152 /nfs/dbraw/zinc/26/01/52/394260152.db2.gz GYUZLVJJYFXKCY-IPYPFGDCSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC[C@H]1C ZINC000367700215 394260551 /nfs/dbraw/zinc/26/05/51/394260551.db2.gz BQGDVGICFDDHKS-GFCCVEGCSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)C[C@H](C[NH3+])N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265337 394275317 /nfs/dbraw/zinc/27/53/17/394275317.db2.gz QUERPOLDCDTCNP-CJNGLKHVSA-N 1 0 291.395 2.935 20 5 CFBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604352 394275413 /nfs/dbraw/zinc/27/54/13/394275413.db2.gz MMURYRNEKGXLQV-ABAIWWIYSA-N 1 0 293.342 2.573 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153586900 394286580 /nfs/dbraw/zinc/28/65/80/394286580.db2.gz ILPLGLRRXFRRBR-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645330 394288016 /nfs/dbraw/zinc/28/80/16/394288016.db2.gz BUXLZOJUBPSBJL-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H]1C[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000153829816 394293631 /nfs/dbraw/zinc/29/36/31/394293631.db2.gz ZMUAVCGYQOBUIG-GXSJLCMTSA-N 1 0 298.774 2.562 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295273992 394298518 /nfs/dbraw/zinc/29/85/18/394298518.db2.gz SFMPGOQGIOQKHZ-GWCFXTLKSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000450866052 394342253 /nfs/dbraw/zinc/34/22/53/394342253.db2.gz XPTYBQXKSBWVRI-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO CCN(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158788231 394361173 /nfs/dbraw/zinc/36/11/73/394361173.db2.gz FNDWBZIDMIERTE-LBPRGKRZSA-N 1 0 265.357 2.506 20 5 CFBDRO CCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158788375 394361195 /nfs/dbraw/zinc/36/11/95/394361195.db2.gz FNDWBZIDMIERTE-GFCCVEGCSA-N 1 0 265.357 2.506 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160137075 394366103 /nfs/dbraw/zinc/36/61/03/394366103.db2.gz WQLGFISXHFGVSD-STQMWFEESA-N 1 0 279.384 2.976 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC000178317727 394387183 /nfs/dbraw/zinc/38/71/83/394387183.db2.gz RQPHJHRCQUGJDS-TUVASFSCSA-N 1 0 276.336 2.955 20 5 CFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453351279 394389404 /nfs/dbraw/zinc/38/94/04/394389404.db2.gz PRNUBZPAHKLYNM-RYUDHWBXSA-N 1 0 288.351 2.610 20 5 CFBDRO COc1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000535677092 394538305 /nfs/dbraw/zinc/53/83/05/394538305.db2.gz WCOGGFBHIUAIRS-UHFFFAOYSA-N 1 0 299.330 2.557 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000537950445 394596302 /nfs/dbraw/zinc/59/63/02/394596302.db2.gz XVQGTWVAOLVONT-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000540036189 394641355 /nfs/dbraw/zinc/64/13/55/394641355.db2.gz CIVIMQWFNDDKGY-FZMZJTMJSA-N 1 0 275.352 2.798 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(C3CC3)CC2)c(F)c1 ZINC000556810914 395017917 /nfs/dbraw/zinc/01/79/17/395017917.db2.gz LFALPKDZOSKOBN-UHFFFAOYSA-N 1 0 268.263 2.905 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000555237753 394968936 /nfs/dbraw/zinc/96/89/36/394968936.db2.gz MTGUUTPBBHXQMM-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000352416062 292295434 /nfs/dbraw/zinc/29/54/34/292295434.db2.gz CUGONHBNAMRXPJ-AWEZNQCLSA-N 1 0 291.395 2.992 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305805627 292296667 /nfs/dbraw/zinc/29/66/67/292296667.db2.gz GDKRADDVPSZYJI-HUBLWGQQSA-N 1 0 278.352 2.667 20 5 CFBDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000348114729 154325840 /nfs/dbraw/zinc/32/58/40/154325840.db2.gz UKECLLXAVDDGLB-MFKMUULPSA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)CC1CCC1 ZINC000355490888 155022629 /nfs/dbraw/zinc/02/26/29/155022629.db2.gz BLPSFJUWZOVBCG-UFRMUOTOSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1cnc(N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000355585460 155046870 /nfs/dbraw/zinc/04/68/70/155046870.db2.gz NRGYHWHIIVNFBW-UHFFFAOYSA-N 1 0 294.399 2.853 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000367098267 156282479 /nfs/dbraw/zinc/28/24/79/156282479.db2.gz FMRDGNMCVHZSKK-AWEZNQCLSA-N 1 0 276.336 2.644 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367439407 156333593 /nfs/dbraw/zinc/33/35/93/156333593.db2.gz UJCTYLCWSOMWRA-INIZCTEOSA-N 1 0 290.363 2.906 20 5 CFBDRO Cc1c(C[N@H+]2CCOCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000367655983 156373149 /nfs/dbraw/zinc/37/31/49/156373149.db2.gz FGAVVYOFNVBXDL-LLVKDONJSA-N 1 0 264.325 2.514 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000375119676 157198895 /nfs/dbraw/zinc/19/88/95/157198895.db2.gz FHTPJAHBRMZMJQ-CVEARBPZSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000375144680 157201408 /nfs/dbraw/zinc/20/14/08/157201408.db2.gz UEBNOIOJICYCLU-JKSUJKDBSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000375144678 157201999 /nfs/dbraw/zinc/20/19/99/157201999.db2.gz UEBNOIOJICYCLU-HZPDHXFCSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000344592190 162073763 /nfs/dbraw/zinc/07/37/63/162073763.db2.gz MWZVIXPAZHSMGA-MDUKQBBOSA-N 1 0 276.336 2.623 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000344750942 162114182 /nfs/dbraw/zinc/11/41/82/162114182.db2.gz OVKRLWWVVZNQHC-CJNGLKHVSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344776125 162120714 /nfs/dbraw/zinc/12/07/14/162120714.db2.gz ORGJOQDFNVLUSU-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO CO[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000344799922 162124345 /nfs/dbraw/zinc/12/43/45/162124345.db2.gz UMFLOCJWHVXLEX-LLVKDONJSA-N 1 0 292.257 2.652 20 5 CFBDRO CC[C@@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344797454 162124924 /nfs/dbraw/zinc/12/49/24/162124924.db2.gz WPZPBGHKPOCDHY-UQTJOTSZSA-N 1 0 278.352 2.749 20 5 CFBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000344965910 162155124 /nfs/dbraw/zinc/15/51/24/162155124.db2.gz HVNPRXLUIFNJSR-ZYHUDNBSSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000345167169 162193013 /nfs/dbraw/zinc/19/30/13/162193013.db2.gz XRAXZEHCEHUAHQ-CHWSQXEVSA-N 1 0 277.368 2.822 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346209978 162351571 /nfs/dbraw/zinc/35/15/71/162351571.db2.gz ONKOEVYCVLIFKG-WDEREUQCSA-N 1 0 283.397 2.571 20 5 CFBDRO CCC[C@H]1C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346850303 162536481 /nfs/dbraw/zinc/53/64/81/162536481.db2.gz PXOFSQZFUTZOLE-KKTNHOPESA-N 1 0 289.379 2.682 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000348356240 162834367 /nfs/dbraw/zinc/83/43/67/162834367.db2.gz XJLSEDOSZXLYAS-YPMHNXCESA-N 1 0 292.383 2.607 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348362553 162838135 /nfs/dbraw/zinc/83/81/35/162838135.db2.gz ANIHKQNNSYQNOY-LSDHHAIUSA-N 1 0 260.337 2.916 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccnn1C ZINC000350032008 163052567 /nfs/dbraw/zinc/05/25/67/163052567.db2.gz AAQCNNMQACSLBU-LLVKDONJSA-N 1 0 274.324 2.521 20 5 CFBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350312004 163071676 /nfs/dbraw/zinc/07/16/76/163071676.db2.gz LHKNWRRPLKWCRQ-QMTHXVAHSA-N 1 0 284.331 2.621 20 5 CFBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352884850 163261515 /nfs/dbraw/zinc/26/15/15/163261515.db2.gz SBCGTYRZKDFPHT-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCc1ccccc1)CC2 ZINC000353000559 163285196 /nfs/dbraw/zinc/28/51/96/163285196.db2.gz ZFUGMGCDXCQKTL-UHFFFAOYSA-N 1 0 297.358 2.981 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353009336 163287285 /nfs/dbraw/zinc/28/72/85/163287285.db2.gz QIETVPIHBCFLRR-NSHDSACASA-N 1 0 286.278 2.656 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353026316 163291766 /nfs/dbraw/zinc/29/17/66/163291766.db2.gz USJPXUDMZILEEY-NSHDSACASA-N 1 0 286.278 2.656 20 5 CFBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353036096 163292355 /nfs/dbraw/zinc/29/23/55/163292355.db2.gz FDPKBYWVXMCTNZ-AVXNYWLKSA-N 1 0 290.363 2.870 20 5 CFBDRO CC[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000353087515 163304379 /nfs/dbraw/zinc/30/43/79/163304379.db2.gz YUIPWRVVFLVAQG-FWPCIQOSSA-N 1 0 264.325 2.623 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000322749073 270296786 /nfs/dbraw/zinc/29/67/86/270296786.db2.gz DBGGFUURQVYECT-CQSZACIVSA-N 1 0 266.341 2.808 20 5 CFBDRO CC[NH+](CC)CCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526057 171238996 /nfs/dbraw/zinc/23/89/96/171238996.db2.gz BMWUCKDTPAKLIH-CYBMUJFWSA-N 1 0 279.384 2.977 20 5 CFBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285051114 196186287 /nfs/dbraw/zinc/18/62/87/196186287.db2.gz ILKKMRSKXBTJDL-GHMZBOCLSA-N 1 0 295.383 2.625 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000035258961 172091237 /nfs/dbraw/zinc/09/12/37/172091237.db2.gz UYIVMCWLYSPSOQ-AWEZNQCLSA-N 1 0 291.395 2.867 20 5 CFBDRO Cc1c(C[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000035648840 172325502 /nfs/dbraw/zinc/32/55/02/172325502.db2.gz ASHAIYCIEHIQID-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO COCCCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285293902 196243967 /nfs/dbraw/zinc/24/39/67/196243967.db2.gz KOCQYYMXYBDNDB-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035735511 172387321 /nfs/dbraw/zinc/38/73/21/172387321.db2.gz SZNPBPWOUOONHF-RISCZKNCSA-N 1 0 264.325 2.560 20 5 CFBDRO C[N@H+](CCc1cccnc1)CCc1ccccc1[N+](=O)[O-] ZINC000285399786 196272092 /nfs/dbraw/zinc/27/20/92/196272092.db2.gz TXJBHTRHSPDBEE-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285612997 196344741 /nfs/dbraw/zinc/34/47/41/196344741.db2.gz VYNUBEFYQYYBEP-JSGCOSHPSA-N 1 0 278.352 2.665 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CCO)CCCC1 ZINC000285671391 196362344 /nfs/dbraw/zinc/36/23/44/196362344.db2.gz ZTZDDCREUDEEEM-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO CC[C@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738282 173658658 /nfs/dbraw/zinc/65/86/58/173658658.db2.gz YHHVJQBSUKTKJH-RISCZKNCSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038013963 173985640 /nfs/dbraw/zinc/98/56/40/173985640.db2.gz WLRWOGFVMUNHEX-VXGBXAGGSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@H](CNCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000038041911 174044830 /nfs/dbraw/zinc/04/48/30/174044830.db2.gz FHTVFZOQKBKWMQ-CQSZACIVSA-N 1 0 291.395 2.806 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044359 174052207 /nfs/dbraw/zinc/05/22/07/174052207.db2.gz PEGYIFIIMNHSST-NEPJUHHUSA-N 1 0 264.325 2.672 20 5 CFBDRO CC(C)CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079346 174089319 /nfs/dbraw/zinc/08/93/19/174089319.db2.gz WEJXSJAIDDIEKE-UHFFFAOYSA-N 1 0 252.314 2.609 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040503270 174300180 /nfs/dbraw/zinc/30/01/80/174300180.db2.gz OXBZCPCPMHUNFA-SNVBAGLBSA-N 1 0 267.304 2.630 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672643 174370170 /nfs/dbraw/zinc/37/01/70/174370170.db2.gz PPURQQRGNKBNHI-HIFRSBDPSA-N 1 0 277.368 2.730 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccn2C(F)F)cc1 ZINC000040676128 174374004 /nfs/dbraw/zinc/37/40/04/174374004.db2.gz FTVKNFJWNCXWDM-UHFFFAOYSA-N 1 0 296.277 2.519 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc(O)cc2)cs1 ZINC000040736453 174389641 /nfs/dbraw/zinc/38/96/41/174389641.db2.gz PCBPYOTZINLMKT-UHFFFAOYSA-N 1 0 278.333 2.694 20 5 CFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000043474028 175054115 /nfs/dbraw/zinc/05/41/15/175054115.db2.gz LVWWATDHNQRGAS-JTQLQIEISA-N 1 0 281.331 2.876 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044534075 175197659 /nfs/dbraw/zinc/19/76/59/175197659.db2.gz XHCQMNBRSUUJNB-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000044572460 175209666 /nfs/dbraw/zinc/20/96/66/175209666.db2.gz HWKFSBHCVXASLL-SNVBAGLBSA-N 1 0 296.327 2.645 20 5 CFBDRO Cc1ncsc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000071212593 176084415 /nfs/dbraw/zinc/08/44/15/176084415.db2.gz AXYYCHPJEXIHPE-UHFFFAOYSA-N 1 0 263.322 2.650 20 5 CFBDRO C[N@H+](CCNCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071376810 176142182 /nfs/dbraw/zinc/14/21/82/176142182.db2.gz XDLAENHWBDVDDE-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000077204442 177233243 /nfs/dbraw/zinc/23/32/43/177233243.db2.gz YXIUELKDUFTAJW-ZFWWWQNUSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000313069511 260243744 /nfs/dbraw/zinc/24/37/44/260243744.db2.gz XNFZTVVZBLEQKV-ZWNOBZJWSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000223247822 260286911 /nfs/dbraw/zinc/28/69/11/260286911.db2.gz JXPJSAKIQNZSSG-NWDGAFQWSA-N 1 0 263.341 2.798 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000525784653 262234217 /nfs/dbraw/zinc/23/42/17/262234217.db2.gz VFRGFRUNAJNAPE-LBPRGKRZSA-N 1 0 296.367 2.960 20 5 CFBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000184119597 262269773 /nfs/dbraw/zinc/26/97/73/262269773.db2.gz MTJYLLQFBXWUMO-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000194095827 270242630 /nfs/dbraw/zinc/24/26/30/270242630.db2.gz OWULGENWDFJSDS-UHFFFAOYSA-N 1 0 252.314 2.704 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000322904946 270297949 /nfs/dbraw/zinc/29/79/49/270297949.db2.gz HJXUFSHLWZFLOW-CQSZACIVSA-N 1 0 282.340 2.508 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000342706947 270302519 /nfs/dbraw/zinc/30/25/19/270302519.db2.gz HZDQXSBUEXWFAD-ZOWXZIJZSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000396534319 270315017 /nfs/dbraw/zinc/31/50/17/270315017.db2.gz IPMUUXYDLSQUNQ-MNOVXSKESA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000517342530 270403249 /nfs/dbraw/zinc/40/32/49/270403249.db2.gz DBSBRXOPXPDRCB-KBPBESRZSA-N 1 0 289.379 2.729 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCO)CC1 ZINC000517383265 270403947 /nfs/dbraw/zinc/40/39/47/270403947.db2.gz JTWSGDORWSWMGJ-GFCCVEGCSA-N 1 0 278.352 2.750 20 5 CFBDRO C[NH2+][C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420139504 273974962 /nfs/dbraw/zinc/97/49/62/273974962.db2.gz BEWVHZQSEAZIHH-QMMMGPOBSA-N 1 0 290.150 2.700 20 5 CFBDRO CC(C)[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433287798 273544886 /nfs/dbraw/zinc/54/48/86/273544886.db2.gz PURCKGYJCRMRNO-LSDHHAIUSA-N 1 0 292.379 2.924 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000279033275 273589556 /nfs/dbraw/zinc/58/95/56/273589556.db2.gz ISAICLKFMWUAJC-QLFBSQMISA-N 1 0 290.363 2.820 20 5 CFBDRO CC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000340287019 273594127 /nfs/dbraw/zinc/59/41/27/273594127.db2.gz PXLKPIIQFGDLNZ-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000421870682 273725176 /nfs/dbraw/zinc/72/51/76/273725176.db2.gz FHNZZCNVQOXOGA-HIFRSBDPSA-N 1 0 278.352 2.723 20 5 CFBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000424278122 274084972 /nfs/dbraw/zinc/08/49/72/274084972.db2.gz CYBSFCCXALTNGR-ZJIFFRHRSA-N 1 0 290.363 2.888 20 5 CFBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146365 274385666 /nfs/dbraw/zinc/38/56/66/274385666.db2.gz ZFMMOBFFZQXRQG-OLZOCXBDSA-N 1 0 290.363 2.768 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000230911231 274395089 /nfs/dbraw/zinc/39/50/89/274395089.db2.gz DYHJQBOSHGCJSQ-BDAKNGLRSA-N 1 0 284.747 2.538 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCCO ZINC000449432743 274498590 /nfs/dbraw/zinc/49/85/90/274498590.db2.gz IXRFMFDOBGVOPT-QWHCGFSZSA-N 1 0 280.368 2.667 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000072089534 274709757 /nfs/dbraw/zinc/70/97/57/274709757.db2.gz AWVNMZFSZAISIN-CQSZACIVSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1cc(N[C@H]2CC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420150116 274720154 /nfs/dbraw/zinc/72/01/54/274720154.db2.gz JXSNYJUYHUDXLA-QMMMGPOBSA-N 1 0 289.257 2.696 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([NH2+]C2CC2)CC1 ZINC000279471674 275035559 /nfs/dbraw/zinc/03/55/59/275035559.db2.gz MYYIEGKAHCBNJB-UHFFFAOYSA-N 1 0 295.770 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCSC1)CC2 ZINC000336479701 275037762 /nfs/dbraw/zinc/03/77/62/275037762.db2.gz NVWOIQCIYLIYET-LLVKDONJSA-N 1 0 278.377 2.706 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC34CCC4)nc2c1 ZINC000444784448 275038855 /nfs/dbraw/zinc/03/88/55/275038855.db2.gz VQXJUMVMIVTKPW-UHFFFAOYSA-N 1 0 286.335 2.990 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000428563483 275039343 /nfs/dbraw/zinc/03/93/43/275039343.db2.gz ZKKXZUBWOZWIHM-ZDUSSCGKSA-N 1 0 284.315 2.557 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264560682 275039818 /nfs/dbraw/zinc/03/98/18/275039818.db2.gz FLDCLLAEZFBZRS-HNNXBMFYSA-N 1 0 289.379 2.655 20 5 CFBDRO CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071332199 276001920 /nfs/dbraw/zinc/00/19/20/276001920.db2.gz FLRZGFUHGCVETC-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO CCC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604114 276025940 /nfs/dbraw/zinc/02/59/40/276025940.db2.gz VPIOVEKQGPHUSR-CQSZACIVSA-N 1 0 278.352 2.720 20 5 CFBDRO CC1(C)CC(Nc2ncc([N+](=O)[O-])cc2F)CC(C)(C)[NH2+]1 ZINC000408469647 276100464 /nfs/dbraw/zinc/10/04/64/276100464.db2.gz POVXQGHCKXHQTO-UHFFFAOYSA-N 1 0 296.346 2.850 20 5 CFBDRO CCNCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847515 276266700 /nfs/dbraw/zinc/26/67/00/276266700.db2.gz OWAVEXIBXCIJES-DZGCQCFKSA-N 1 0 291.395 2.505 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357039 276638927 /nfs/dbraw/zinc/63/89/27/276638927.db2.gz NRDHZONRHNNDCG-JSGCOSHPSA-N 1 0 264.325 2.642 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186509230 276838451 /nfs/dbraw/zinc/83/84/51/276838451.db2.gz MIQQUUXEHNFLPH-WTQORWENSA-N 1 0 264.325 2.573 20 5 CFBDRO CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539091 277146199 /nfs/dbraw/zinc/14/61/99/277146199.db2.gz FLSNACQSAMWLEO-NWDGAFQWSA-N 1 0 280.372 2.911 20 5 CFBDRO COCC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000361314565 277198890 /nfs/dbraw/zinc/19/88/90/277198890.db2.gz SABUYZCSHUJXOX-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO COCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592697 277499175 /nfs/dbraw/zinc/49/91/75/277499175.db2.gz QKGRWUIARLNQMJ-AWEZNQCLSA-N 1 0 264.325 2.598 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453608467 278037401 /nfs/dbraw/zinc/03/74/01/278037401.db2.gz CKVMCGQGJUAVDI-UKRRQHHQSA-N 1 0 278.352 2.721 20 5 CFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492193089 278091785 /nfs/dbraw/zinc/09/17/85/278091785.db2.gz MFZFQBAQWOADNH-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000361386423 278352938 /nfs/dbraw/zinc/35/29/38/278352938.db2.gz KGSZFFVGGHSIPD-BXUZGUMPSA-N 1 0 264.325 2.672 20 5 CFBDRO CC1(C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414219790 278374502 /nfs/dbraw/zinc/37/45/02/278374502.db2.gz IMWCHHQXIJRZGM-TUAOUCFPSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000491829922 278773690 /nfs/dbraw/zinc/77/36/90/278773690.db2.gz BESCKPOVMBYRCO-QMTHXVAHSA-N 1 0 297.786 2.630 20 5 CFBDRO C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000301980397 279000112 /nfs/dbraw/zinc/00/01/12/279000112.db2.gz ARJBBMZGIUVLIM-BDAKNGLRSA-N 1 0 267.354 2.693 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000021502447 279101906 /nfs/dbraw/zinc/10/19/06/279101906.db2.gz ZRUUYUSXIZTVEV-LBPRGKRZSA-N 1 0 280.372 2.912 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692007 279133035 /nfs/dbraw/zinc/13/30/35/279133035.db2.gz OWGOKCCMJHBSFG-QWHCGFSZSA-N 1 0 279.384 2.976 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000449231858 279382424 /nfs/dbraw/zinc/38/24/24/279382424.db2.gz FXPKXSASQNCUBE-VNHYZAJKSA-N 1 0 291.395 2.598 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000285144366 279478210 /nfs/dbraw/zinc/47/82/10/279478210.db2.gz OTZNOOYDDPSNLD-OBJOEFQTSA-N 1 0 278.352 2.918 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000249938347 279526076 /nfs/dbraw/zinc/52/60/76/279526076.db2.gz SOBDIUPVOKSJDE-HPEDKQMDSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415150 280090880 /nfs/dbraw/zinc/09/08/80/280090880.db2.gz QNUWNWKYEXHBIO-WDEREUQCSA-N 1 0 266.366 2.921 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038587 280363666 /nfs/dbraw/zinc/36/36/66/280363666.db2.gz HZUJLDVNDULHDI-GOEBONIOSA-N 1 0 289.379 2.559 20 5 CFBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294969280 288266746 /nfs/dbraw/zinc/26/67/46/288266746.db2.gz ODXQDQMGVILSPF-LBPRGKRZSA-N 1 0 275.352 2.515 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000420309342 281022050 /nfs/dbraw/zinc/02/20/50/281022050.db2.gz FBPFORNKHHOHKM-WFASDCNBSA-N 1 0 277.368 2.635 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000268947749 281022666 /nfs/dbraw/zinc/02/26/66/281022666.db2.gz BRYSRBBWWPSNKW-WOPDTQHZSA-N 1 0 266.341 2.571 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249148768 281050646 /nfs/dbraw/zinc/05/06/46/281050646.db2.gz ZUNGKXGGRCORDD-IPYPFGDCSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000252187224 281075202 /nfs/dbraw/zinc/07/52/02/281075202.db2.gz ULTCVWDPHDJYNK-PTEHBNRSSA-N 1 0 264.325 2.640 20 5 CFBDRO COc1ccsc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000268763378 281117084 /nfs/dbraw/zinc/11/70/84/281117084.db2.gz AQEYCOHDQDCAPG-UHFFFAOYSA-N 1 0 292.360 2.997 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000276187405 281126342 /nfs/dbraw/zinc/12/63/42/281126342.db2.gz HTQHXRTUQZMSLB-IUCAKERBSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000305672124 281154714 /nfs/dbraw/zinc/15/47/14/281154714.db2.gz XMNZKKZYUMIGMW-SGMGOOAPSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)COC1 ZINC000393957003 281194089 /nfs/dbraw/zinc/19/40/89/281194089.db2.gz HTLHLFNFJCLCPP-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000397797022 281202732 /nfs/dbraw/zinc/20/27/32/281202732.db2.gz KELHFXCTQUYOPQ-GXSJLCMTSA-N 1 0 282.365 2.587 20 5 CFBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763220 281209501 /nfs/dbraw/zinc/20/95/01/281209501.db2.gz WQPNUKZWCWETQE-GHMZBOCLSA-N 1 0 298.770 2.699 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cn[nH]c1)C1CC1 ZINC000459361430 281257211 /nfs/dbraw/zinc/25/72/11/281257211.db2.gz FNNFYPUMDFDQHE-UHFFFAOYSA-N 1 0 286.335 2.525 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH2+]C(C)C)CC1 ZINC000113247333 281259011 /nfs/dbraw/zinc/25/90/11/281259011.db2.gz YPNWTPQYIHZEKF-UHFFFAOYSA-N 1 0 277.368 2.870 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000515432982 281293035 /nfs/dbraw/zinc/29/30/35/281293035.db2.gz MVOGLNVVRFDNIA-ZOWXZIJZSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000515432979 281293225 /nfs/dbraw/zinc/29/32/25/281293225.db2.gz MVOGLNVVRFDNIA-JMSVASOKSA-N 1 0 290.363 2.723 20 5 CFBDRO CC[C@]1(C)COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330544098 281331211 /nfs/dbraw/zinc/33/12/11/281331211.db2.gz YZNDJVXXWSOIIN-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000552040448 281851585 /nfs/dbraw/zinc/85/15/85/281851585.db2.gz LMEYZPLCGAQKIS-GJZGRUSLSA-N 1 0 278.352 2.998 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC000285753200 288519144 /nfs/dbraw/zinc/51/91/44/288519144.db2.gz YYARNASSQJQMDX-UKRRQHHQSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286490306 289044375 /nfs/dbraw/zinc/04/43/75/289044375.db2.gz RIAOBHMQXQJCDJ-DGCLKSJQSA-N 1 0 293.342 2.797 20 5 CFBDRO CC(C)OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531164158 290034868 /nfs/dbraw/zinc/03/48/68/290034868.db2.gz BFKMAHHFRCQVGQ-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000562535311 290052667 /nfs/dbraw/zinc/05/26/67/290052667.db2.gz GFEKFXRQJBZTGE-XSNQJSSTSA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000563153315 290109827 /nfs/dbraw/zinc/10/98/27/290109827.db2.gz RDESFFVHYMBFOU-QWHCGFSZSA-N 1 0 277.368 2.635 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563415983 290146326 /nfs/dbraw/zinc/14/63/26/290146326.db2.gz DZLAQKLEJAFASK-GXFFZTMASA-N 1 0 264.325 2.597 20 5 CFBDRO CCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])COC1 ZINC000563416317 290146562 /nfs/dbraw/zinc/14/65/62/290146562.db2.gz HZIOLJBBSRKKNX-ZDUSSCGKSA-N 1 0 276.336 2.598 20 5 CFBDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000563549272 290160045 /nfs/dbraw/zinc/16/00/45/290160045.db2.gz FLSDWIBBFAWRLS-NSHDSACASA-N 1 0 288.351 2.796 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564811926 290234965 /nfs/dbraw/zinc/23/49/65/290234965.db2.gz SGRURXSVBVZFTG-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO CC(C)c1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000564968771 290253200 /nfs/dbraw/zinc/25/32/00/290253200.db2.gz DLTGHZDUVKXEDT-CYBMUJFWSA-N 1 0 277.368 2.512 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217555 290283168 /nfs/dbraw/zinc/28/31/68/290283168.db2.gz MFQUUCHWYJCACP-SWLSCSKDSA-N 1 0 292.379 2.970 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000565218188 290283940 /nfs/dbraw/zinc/28/39/40/290283940.db2.gz LWKDBVNLTKRFCG-TZMCWYRMSA-N 1 0 278.352 2.721 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000565430177 290301258 /nfs/dbraw/zinc/30/12/58/290301258.db2.gz CQTQJCBCMQMWMR-GFCCVEGCSA-N 1 0 293.367 2.746 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOCC1CC1 ZINC000566473904 290390564 /nfs/dbraw/zinc/39/05/64/290390564.db2.gz DZICEHJKXZQVCQ-HNNXBMFYSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc(OCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000567986953 290511496 /nfs/dbraw/zinc/51/14/96/290511496.db2.gz JZYGTNLODWYYLH-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCCOC1)C1CC1 ZINC000177927885 304807670 /nfs/dbraw/zinc/80/76/70/304807670.db2.gz VUEVLWZIBBLYDG-GJZGRUSLSA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@H](F)C2)n1 ZINC000348331308 304811671 /nfs/dbraw/zinc/81/16/71/304811671.db2.gz VOPPKAIOTDFRGE-ZDEQEGDKSA-N 1 0 296.346 2.755 20 5 CFBDRO CCC[N@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000161216872 322348642 /nfs/dbraw/zinc/34/86/42/322348642.db2.gz BKXOXOYJTCYCSU-UHFFFAOYSA-N 1 0 280.368 2.923 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163953395 322380044 /nfs/dbraw/zinc/38/00/44/322380044.db2.gz VXKLEQNQAXKVKJ-WBIUFABUSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000168994285 322389931 /nfs/dbraw/zinc/38/99/31/322389931.db2.gz SZQAQIBVILHGAA-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO C[C@H]([NH3+])C[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000320303571 322437443 /nfs/dbraw/zinc/43/74/43/322437443.db2.gz JFQQQZNTKHDBNS-BQBZGAKWSA-N 1 0 292.261 2.546 20 5 CFBDRO O=C(CC[NH2+]Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000569943060 322506161 /nfs/dbraw/zinc/50/61/61/322506161.db2.gz OVIWYDHUZCXDON-UHFFFAOYSA-N 1 0 299.330 2.713 20 5 CFBDRO CO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000572015055 322604321 /nfs/dbraw/zinc/60/43/21/322604321.db2.gz JKCMUTQHXLEYKM-UKRRQHHQSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)c1ccccc1 ZINC000574291705 322688374 /nfs/dbraw/zinc/68/83/74/322688374.db2.gz HLAAMNPFYJOUAJ-JKSUJKDBSA-N 1 0 298.342 2.905 20 5 CFBDRO COC[C@@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189667383 324031938 /nfs/dbraw/zinc/03/19/38/324031938.db2.gz CDCNIFVAXXOBMP-LBPRGKRZSA-N 1 0 278.352 2.842 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(CO)CCCC1 ZINC000349820776 324188327 /nfs/dbraw/zinc/18/83/27/324188327.db2.gz HXROPYYMYXGZRX-ALCCZGGFSA-N 1 0 290.363 2.750 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000576101173 324577054 /nfs/dbraw/zinc/57/70/54/324577054.db2.gz UAIWIGKIHBTBFM-BFHYXJOUSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000580302290 325023472 /nfs/dbraw/zinc/02/34/72/325023472.db2.gz WZFIZEQVEJAJPF-KGLIPLIRSA-N 1 0 289.379 2.729 20 5 CFBDRO CCC(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581365436 325114332 /nfs/dbraw/zinc/11/43/32/325114332.db2.gz RWALFYBQSFXUBL-UHFFFAOYSA-N 1 0 293.367 2.949 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000583082154 325258595 /nfs/dbraw/zinc/25/85/95/325258595.db2.gz HXNRMTQVNKDGAO-GOEBONIOSA-N 1 0 290.363 2.986 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000583976511 325321870 /nfs/dbraw/zinc/32/18/70/325321870.db2.gz SOIRMCXQPVNGNS-SLEUVZQESA-N 1 0 278.352 2.715 20 5 CFBDRO CC[NH2+]CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584285660 325343508 /nfs/dbraw/zinc/34/35/08/325343508.db2.gz ZKOPWFYEXNDFOD-LBPRGKRZSA-N 1 0 265.357 2.553 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCCC[C@H]1CO ZINC000828710612 782103674 /nfs/dbraw/zinc/10/36/74/782103674.db2.gz OFAPQFDKIUYSRB-VFADXPBXSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413287901 533734830 /nfs/dbraw/zinc/73/48/30/533734830.db2.gz CKMHIPSDVSTCNO-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000170916321 522063181 /nfs/dbraw/zinc/06/31/81/522063181.db2.gz RISVJOQYTYLFHD-LLVKDONJSA-N 1 0 252.314 2.704 20 5 CFBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000422938169 533814876 /nfs/dbraw/zinc/81/48/76/533814876.db2.gz GTCFBPHALYJUIA-RAQOOLMWSA-N 1 0 275.352 2.528 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414511532 533873591 /nfs/dbraw/zinc/87/35/91/533873591.db2.gz GXRMNFVUAMSPPJ-WCABBAIRSA-N 1 0 270.354 2.559 20 5 CFBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000425362943 533987560 /nfs/dbraw/zinc/98/75/60/533987560.db2.gz VZEOLSAPUXEULX-QWHCGFSZSA-N 1 0 266.366 2.621 20 5 CFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339368499 519372763 /nfs/dbraw/zinc/37/27/63/519372763.db2.gz VBWSGLRKDKVLAN-NSHDSACASA-N 1 0 276.296 2.691 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000312331081 519629486 /nfs/dbraw/zinc/62/94/86/519629486.db2.gz HQDMPXMULBOLAO-STQMWFEESA-N 1 0 279.384 2.974 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000165466311 519823006 /nfs/dbraw/zinc/82/30/06/519823006.db2.gz JHTXFLIFWSXRRR-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO CCCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665001 520183459 /nfs/dbraw/zinc/18/34/59/520183459.db2.gz ANRBLEIDFLAOPV-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000083419341 520470511 /nfs/dbraw/zinc/47/05/11/520470511.db2.gz IWBLOLUDZSITIR-UHFFFAOYSA-N 1 0 296.392 2.801 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000084440214 520550810 /nfs/dbraw/zinc/55/08/10/520550810.db2.gz GWAFTWWVANSWAD-KGLIPLIRSA-N 1 0 278.352 2.888 20 5 CFBDRO CC[NH+](CC)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000311555140 520624732 /nfs/dbraw/zinc/62/47/32/520624732.db2.gz BNZFEGHKWBJENW-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO CCOc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000233786433 520750816 /nfs/dbraw/zinc/75/08/16/520750816.db2.gz CGSKPULXEATLAI-DGCLKSJQSA-N 1 0 293.367 2.557 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@H](C)OC ZINC000361018604 521281689 /nfs/dbraw/zinc/28/16/89/521281689.db2.gz SXTJSZXMCSBUOR-LBPRGKRZSA-N 1 0 296.367 2.850 20 5 CFBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936222 521806051 /nfs/dbraw/zinc/80/60/51/521806051.db2.gz WIZWCFDERPNIIP-WDEREUQCSA-N 1 0 280.372 2.727 20 5 CFBDRO CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000163553284 522599230 /nfs/dbraw/zinc/59/92/30/522599230.db2.gz WMMKEWHBEPVXKN-UHBVIIIMSA-N 1 0 298.408 2.793 20 5 CFBDRO COC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000312894513 522630376 /nfs/dbraw/zinc/63/03/76/522630376.db2.gz XHQHHTIQLMSQRZ-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO COc1cc(NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000361152341 522744357 /nfs/dbraw/zinc/74/43/57/522744357.db2.gz XWAJNKJZJNDKBF-ZDUSSCGKSA-N 1 0 295.383 2.992 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000360881593 523176640 /nfs/dbraw/zinc/17/66/40/523176640.db2.gz BKFTURQYYNSBGC-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO C[N@@H+]1CCC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443956 523839798 /nfs/dbraw/zinc/83/97/98/523839798.db2.gz DOCXEKCACCHTME-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CC[C@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523130 523880375 /nfs/dbraw/zinc/88/03/75/523880375.db2.gz PNDRVALWYDRUFF-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000300654887 524020102 /nfs/dbraw/zinc/02/01/02/524020102.db2.gz TXOIIYCSCHUOJM-KBPBESRZSA-N 1 0 278.352 2.540 20 5 CFBDRO C[NH+](C)C1(CNc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000311810944 524037805 /nfs/dbraw/zinc/03/78/05/524037805.db2.gz ILXJSKWUYCOFDK-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386396 524109882 /nfs/dbraw/zinc/10/98/82/524109882.db2.gz QTEYUUVZUIOKRD-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000059814791 524121291 /nfs/dbraw/zinc/12/12/91/524121291.db2.gz GDQGOVBBDFTHCY-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067386371 524230944 /nfs/dbraw/zinc/23/09/44/524230944.db2.gz ZEMWXNKWBREAEE-GFCCVEGCSA-N 1 0 264.325 2.706 20 5 CFBDRO Cc1ccc(C[NH2+][C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000221350449 524612010 /nfs/dbraw/zinc/61/20/10/524612010.db2.gz NHZYXEVNUJHQEK-CQSZACIVSA-N 1 0 264.325 2.562 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337210791 524657341 /nfs/dbraw/zinc/65/73/41/524657341.db2.gz DATMXHXJZWLYJM-TXEJJXNPSA-N 1 0 291.351 2.796 20 5 CFBDRO Cc1cccc(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000310782187 524680431 /nfs/dbraw/zinc/68/04/31/524680431.db2.gz RWHUGFBOUCEBHD-JTQLQIEISA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C[NH+](C)C ZINC000314335570 524756279 /nfs/dbraw/zinc/75/62/79/524756279.db2.gz OKLMAGKNDGEMRC-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000235605402 525042508 /nfs/dbraw/zinc/04/25/08/525042508.db2.gz IFTUKTWGTWFTDW-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000230061319 525362413 /nfs/dbraw/zinc/36/24/13/525362413.db2.gz JPNZYWRPXZSDFH-RYUDHWBXSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361982288 525397123 /nfs/dbraw/zinc/39/71/23/525397123.db2.gz QNJLKIGYEMDTST-LKSINWNRSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000219231068 525416002 /nfs/dbraw/zinc/41/60/02/525416002.db2.gz HDKIWWNCRCFJCL-SLEUVZQESA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230410153 525457080 /nfs/dbraw/zinc/45/70/80/525457080.db2.gz QLGNDNWVAPKJGQ-NEPJUHHUSA-N 1 0 264.325 2.672 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377771206 525461038 /nfs/dbraw/zinc/46/10/38/525461038.db2.gz FJAUGDLAPHCBEH-BXUZGUMPSA-N 1 0 276.336 2.978 20 5 CFBDRO Cc1c(-c2nc([C@H]([NH3+])CC(C)C)no2)cccc1[N+](=O)[O-] ZINC000339392179 525512505 /nfs/dbraw/zinc/51/25/05/525512505.db2.gz MDEUNXJZBNBPHF-LLVKDONJSA-N 1 0 290.323 2.999 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000056196951 525589358 /nfs/dbraw/zinc/58/93/58/525589358.db2.gz YVVGSAMRNBFGBD-MNOVXSKESA-N 1 0 293.367 2.549 20 5 CFBDRO Cc1c(C[NH2+]Cc2ccn(C)c2)cccc1[N+](=O)[O-] ZINC000231884317 525725017 /nfs/dbraw/zinc/72/50/17/525725017.db2.gz RVNSLQWNBPCYSD-UHFFFAOYSA-N 1 0 259.309 2.532 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553663 525739473 /nfs/dbraw/zinc/73/94/73/525739473.db2.gz STSSAUKYOCBMDB-QWHCGFSZSA-N 1 0 279.384 2.894 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCOC1 ZINC000230147733 525876159 /nfs/dbraw/zinc/87/61/59/525876159.db2.gz DMNGMFLUQJVAID-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cccc1[N+](=O)[O-] ZINC000305111250 525920400 /nfs/dbraw/zinc/92/04/00/525920400.db2.gz FZQJFQNMMAREEM-WFASDCNBSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000166247221 525925534 /nfs/dbraw/zinc/92/55/34/525925534.db2.gz ZNEQDSOBUSWKJC-BLLLJJGKSA-N 1 0 291.395 2.894 20 5 CFBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)OCC1CC1 ZINC000414520613 527172846 /nfs/dbraw/zinc/17/28/46/527172846.db2.gz ZXJVXZUPSJVICA-UHFFFAOYSA-N 1 0 284.381 2.951 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000365799034 527349094 /nfs/dbraw/zinc/34/90/94/527349094.db2.gz WMRUAEVACZKLLP-NSHDSACASA-N 1 0 291.307 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000314789452 527351096 /nfs/dbraw/zinc/35/10/96/527351096.db2.gz MXWRVTABAIZCLA-NEPJUHHUSA-N 1 0 296.342 2.622 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCOC(F)F ZINC000337867931 527397869 /nfs/dbraw/zinc/39/78/69/527397869.db2.gz PBDMVDLAOUPYKY-UTCJRWHESA-N 1 0 286.278 2.827 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000361637861 527401446 /nfs/dbraw/zinc/40/14/46/527401446.db2.gz VUYRBWUPYHKRLK-ZDUSSCGKSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCCC23CCCC3)n1 ZINC000365830379 527406601 /nfs/dbraw/zinc/40/66/01/527406601.db2.gz FUGBDRBOLDWMIC-ZDUSSCGKSA-N 1 0 292.383 2.884 20 5 CFBDRO CCC[N@H+](CC)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156815208 527980255 /nfs/dbraw/zinc/98/02/55/527980255.db2.gz FCGMYJIEEZLBCM-ZDUSSCGKSA-N 1 0 279.384 2.977 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413190638 528021170 /nfs/dbraw/zinc/02/11/70/528021170.db2.gz XHAOFEQJRRHCPZ-NSHDSACASA-N 1 0 296.346 2.519 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1ncc([N+](=O)[O-])cc1F ZINC000413226680 528078914 /nfs/dbraw/zinc/07/89/14/528078914.db2.gz HJXUQQOUCNUNCM-UHFFFAOYSA-N 1 0 298.362 2.687 20 5 CFBDRO CC(C)c1ccc(CNC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414787890 528099791 /nfs/dbraw/zinc/09/97/91/528099791.db2.gz CWMWAFQBIVVZDB-AWEZNQCLSA-N 1 0 279.384 2.791 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414951786 528100314 /nfs/dbraw/zinc/10/03/14/528100314.db2.gz QDLXUDWBWXOJCF-GXTWGEPZSA-N 1 0 291.395 2.948 20 5 CFBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344431644 528189204 /nfs/dbraw/zinc/18/92/04/528189204.db2.gz KJWXJPKVAVAASA-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC001155019789 782167589 /nfs/dbraw/zinc/16/75/89/782167589.db2.gz GIYUAFYODROIAE-NXEZZACHSA-N 1 0 298.774 2.691 20 5 CFBDRO CC(C)[N@H+](CCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179453467 528917088 /nfs/dbraw/zinc/91/70/88/528917088.db2.gz ZLQLXYJSTVMUDU-UHFFFAOYSA-N 1 0 288.351 2.702 20 5 CFBDRO CCC([NH3+])(CC)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414666271 528943028 /nfs/dbraw/zinc/94/30/28/528943028.db2.gz VZOBLSTWFMXWDM-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444588158 535160845 /nfs/dbraw/zinc/16/08/45/535160845.db2.gz DKTSIELMMOBGDJ-SNVBAGLBSA-N 1 0 276.340 2.947 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000452115823 535243520 /nfs/dbraw/zinc/24/35/20/535243520.db2.gz MFNNIXQTDWGLFC-INIZCTEOSA-N 1 0 291.395 2.552 20 5 CFBDRO CC(C)(O)C(C)(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449724298 535268964 /nfs/dbraw/zinc/26/89/64/535268964.db2.gz MWLGMSJXKOQSMY-VQHVLOKHSA-N 1 0 292.379 2.995 20 5 CFBDRO CC(C)(O)C(C)(C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449724297 535269398 /nfs/dbraw/zinc/26/93/98/535269398.db2.gz MWLGMSJXKOQSMY-CLFYSBASSA-N 1 0 292.379 2.995 20 5 CFBDRO CCOCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449091588 535511871 /nfs/dbraw/zinc/51/18/71/535511871.db2.gz QMQDZSHUDCDHRS-CYBMUJFWSA-N 1 0 280.368 2.932 20 5 CFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000459670899 535708147 /nfs/dbraw/zinc/70/81/47/535708147.db2.gz FRVRLJAOAZHOQH-OAHLLOKOSA-N 1 0 278.352 2.986 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449755034 535755031 /nfs/dbraw/zinc/75/50/31/535755031.db2.gz LVRCPQWAAJOUOD-ZIAGYGMSSA-N 1 0 282.315 2.781 20 5 CFBDRO C[NH+](C)CCSCc1c(F)cccc1[N+](=O)[O-] ZINC000446562626 535920077 /nfs/dbraw/zinc/92/00/77/535920077.db2.gz DBEIYNZFVRMYHR-UHFFFAOYSA-N 1 0 258.318 2.529 20 5 CFBDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548458 536003952 /nfs/dbraw/zinc/00/39/52/536003952.db2.gz NKNNUBLAWCWLEV-GDBMZVCRSA-N 1 0 292.379 2.935 20 5 CFBDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000459698696 536956635 /nfs/dbraw/zinc/95/66/35/536956635.db2.gz KZEBPWOHUBQOIZ-CQSZACIVSA-N 1 0 298.342 2.860 20 5 CFBDRO COc1cccc2c1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000459687155 536956833 /nfs/dbraw/zinc/95/68/33/536956833.db2.gz CGOLTEDRWMDNOG-CQSZACIVSA-N 1 0 298.342 2.860 20 5 CFBDRO CC(C)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746656262 574160434 /nfs/dbraw/zinc/16/04/34/574160434.db2.gz WHKNYTAGXCBDTA-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000747223026 574187965 /nfs/dbraw/zinc/18/79/65/574187965.db2.gz IVAVPISPRYHJIP-UWVGGRQHSA-N 1 0 297.330 2.637 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOc1cccc([N+](=O)[O-])c1 ZINC000747576956 574201837 /nfs/dbraw/zinc/20/18/37/574201837.db2.gz YHFOUNJFIWOOGI-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749643491 574304069 /nfs/dbraw/zinc/30/40/69/574304069.db2.gz BUQLBORMGCIYJP-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO CC[N@@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207139 574319126 /nfs/dbraw/zinc/31/91/26/574319126.db2.gz QZRJCOPCAIBAOS-UKRRQHHQSA-N 1 0 291.395 2.723 20 5 CFBDRO CC(=O)OC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000753187293 574399957 /nfs/dbraw/zinc/39/99/57/574399957.db2.gz BTKQDJHROBUFOB-NSHDSACASA-N 1 0 292.335 2.683 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(C)(C)OC ZINC000932371884 617696537 /nfs/dbraw/zinc/69/65/37/617696537.db2.gz BKPSUCLPSYJYRE-JTQLQIEISA-N 1 0 282.340 2.507 20 5 CFBDRO Cc1nn(C[N@H+](C)CCC2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121272954 617906401 /nfs/dbraw/zinc/90/64/01/617906401.db2.gz TZWGBRBGUXJKFG-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000934127795 617913155 /nfs/dbraw/zinc/91/31/55/617913155.db2.gz YZCKXTUPSVAQRZ-KBPBESRZSA-N 1 0 264.325 2.512 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000892055478 617929881 /nfs/dbraw/zinc/92/98/81/617929881.db2.gz HVPYOTSZPKWFKZ-UHFFFAOYSA-N 1 0 292.335 2.685 20 5 CFBDRO CC[C@]1(C)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892146335 617972340 /nfs/dbraw/zinc/97/23/40/617972340.db2.gz XELSCXSXFAVEHI-OAHLLOKOSA-N 1 0 294.351 2.931 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000892222056 618010524 /nfs/dbraw/zinc/01/05/24/618010524.db2.gz MXUIFXZYPVEDGD-LLVKDONJSA-N 1 0 294.351 2.787 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC000934390101 618027557 /nfs/dbraw/zinc/02/75/57/618027557.db2.gz DIEXJWADURONBJ-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000051634372 618030989 /nfs/dbraw/zinc/03/09/89/618030989.db2.gz HSSWEWHHZXTSDR-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804853807 618044882 /nfs/dbraw/zinc/04/48/82/618044882.db2.gz AXBWWLHGJLMHSP-QMMMGPOBSA-N 1 0 280.353 2.567 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000050015754 618060599 /nfs/dbraw/zinc/06/05/99/618060599.db2.gz UPNDQQIBKWCLBL-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262087852 618123568 /nfs/dbraw/zinc/12/35/68/618123568.db2.gz UPAIHTKCTAFNSA-ZWNOBZJWSA-N 1 0 297.786 2.950 20 5 CFBDRO C[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721433 618157309 /nfs/dbraw/zinc/15/73/09/618157309.db2.gz HYDVUINRNCTFLW-GWCFXTLKSA-N 1 0 297.786 2.821 20 5 CFBDRO C[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721431 618157458 /nfs/dbraw/zinc/15/74/58/618157458.db2.gz HYDVUINRNCTFLW-MFKMUULPSA-N 1 0 297.786 2.821 20 5 CFBDRO C[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000090794979 618195213 /nfs/dbraw/zinc/19/52/13/618195213.db2.gz NROUNMRJLWEAQR-UWVGGRQHSA-N 1 0 267.304 2.629 20 5 CFBDRO CC(C)C[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051124189 618203442 /nfs/dbraw/zinc/20/34/42/618203442.db2.gz BCPUZYQWBBWHOA-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892445910 618281483 /nfs/dbraw/zinc/28/14/83/618281483.db2.gz CXPYFYDQCASUBD-ZYHUDNBSSA-N 1 0 294.351 2.977 20 5 CFBDRO [NH3+]C1(c2noc(-c3cc(Cl)ccc3[N+](=O)[O-])n2)CCC1 ZINC000261708306 618345042 /nfs/dbraw/zinc/34/50/42/618345042.db2.gz IPHJPPOGZUUPMO-UHFFFAOYSA-N 1 0 294.698 2.636 20 5 CFBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NC1CCCCC1 ZINC000052048471 618369871 /nfs/dbraw/zinc/36/98/71/618369871.db2.gz ZAVXJVJEFHWTSV-UHFFFAOYSA-N 1 0 276.340 2.541 20 5 CFBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925639346 618374745 /nfs/dbraw/zinc/37/47/45/618374745.db2.gz BRFBVDABHXRLBX-HOTGVXAUSA-N 1 0 292.379 2.788 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCCC[C@@H]1CO ZINC000895151940 618397534 /nfs/dbraw/zinc/39/75/34/618397534.db2.gz OFAPQFDKIUYSRB-DDJMYBDESA-N 1 0 290.363 2.845 20 5 CFBDRO CC(C)[N@H+](C)Cc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398697 620805712 /nfs/dbraw/zinc/80/57/12/620805712.db2.gz GHFNMJZMSOQLMU-UHFFFAOYSA-N 1 0 265.269 2.683 20 5 CFBDRO CC[C@@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091732 618489220 /nfs/dbraw/zinc/48/92/20/618489220.db2.gz AGWHBKDIJQDKNH-CABCVRRESA-N 1 0 278.352 2.750 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000895440949 618588481 /nfs/dbraw/zinc/58/84/81/618588481.db2.gz LSJAHJATUHAVPK-CYBMUJFWSA-N 1 0 294.351 2.833 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000840882635 618641977 /nfs/dbraw/zinc/64/19/77/618641977.db2.gz QNGYDPJYWGGCPK-RIEGTJTDSA-N 1 0 295.383 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1F ZINC000832348765 625293923 /nfs/dbraw/zinc/29/39/23/625293923.db2.gz RCAQDHBHBRYQDE-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C(C)(C)C(C)C)c1[N+](=O)[O-] ZINC000892881064 618762522 /nfs/dbraw/zinc/76/25/22/618762522.db2.gz POOHQYRAIZOGQH-UHFFFAOYSA-N 1 0 282.340 2.833 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000119867350 618806827 /nfs/dbraw/zinc/80/68/27/618806827.db2.gz HJXCLDZOFHXZQH-HIFRSBDPSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000893232217 618896988 /nfs/dbraw/zinc/89/69/88/618896988.db2.gz JYYMFHUIBZOMKB-HAQNSBGRSA-N 1 0 284.743 2.641 20 5 CFBDRO CC[C@@H](CO)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641086 618903398 /nfs/dbraw/zinc/90/33/98/618903398.db2.gz VTMCTDDQHHHUCM-KGLIPLIRSA-N 1 0 278.352 2.545 20 5 CFBDRO C[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000093633684 619041632 /nfs/dbraw/zinc/04/16/32/619041632.db2.gz ANCPMHOHEWZXAV-IINYFYTJSA-N 1 0 297.786 2.807 20 5 CFBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874205 619063289 /nfs/dbraw/zinc/06/32/89/619063289.db2.gz RWIYSIFAMLCKAE-UHFFFAOYSA-N 1 0 285.775 2.665 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000051634370 619085156 /nfs/dbraw/zinc/08/51/56/619085156.db2.gz HSSWEWHHZXTSDR-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633681 619280230 /nfs/dbraw/zinc/28/02/30/619280230.db2.gz YAOJRLUSSDFXIV-QWRGUYRKSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Cl ZINC000261819155 619282531 /nfs/dbraw/zinc/28/25/31/619282531.db2.gz IEYIBKBLMVZYTR-TXEJJXNPSA-N 1 0 295.770 2.575 20 5 CFBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000894272856 619300105 /nfs/dbraw/zinc/30/01/05/619300105.db2.gz LPISZGCRXUPVNQ-UHFFFAOYSA-N 1 0 290.319 2.871 20 5 CFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055855 619316565 /nfs/dbraw/zinc/31/65/65/619316565.db2.gz NQZCZUHRISYCPJ-NEPJUHHUSA-N 1 0 266.345 2.649 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC2(C)C)c1[N+](=O)[O-] ZINC000894445087 619387431 /nfs/dbraw/zinc/38/74/31/619387431.db2.gz NJGLXIWHJVPGJN-LLVKDONJSA-N 1 0 280.324 2.587 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000894847754 619481963 /nfs/dbraw/zinc/48/19/63/619481963.db2.gz FTLUVSNRQITHDS-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO C[C@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000895739076 619593455 /nfs/dbraw/zinc/59/34/55/619593455.db2.gz AUGGPRBHLCQMGR-WPRPVWTQSA-N 1 0 292.364 2.709 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC000895734537 619596291 /nfs/dbraw/zinc/59/62/91/619596291.db2.gz OJBOLIZGUHERRL-MFKMUULPSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738278 619597887 /nfs/dbraw/zinc/59/78/87/619597887.db2.gz UKJPBPJHQJIYFK-GXFFZTMASA-N 1 0 286.335 2.648 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925232545 620056944 /nfs/dbraw/zinc/05/69/44/620056944.db2.gz XNOBNXYHIYPYBD-NUEKZKHPSA-N 1 0 289.379 2.730 20 5 CFBDRO Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000035054393 620102794 /nfs/dbraw/zinc/10/27/94/620102794.db2.gz HXCRXTGLKJWREQ-UHFFFAOYSA-N 1 0 289.379 2.620 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464350 620176843 /nfs/dbraw/zinc/17/68/43/620176843.db2.gz LOUHKDAEKOQAMH-BZPMIXESSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H](C[NH2+]C1CCC(C)(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897461282 620176867 /nfs/dbraw/zinc/17/68/67/620176867.db2.gz ZELMLMBURDCZKI-FUJMWEONSA-N 1 0 292.379 2.982 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465239 620177002 /nfs/dbraw/zinc/17/70/02/620177002.db2.gz UJXWQNOCMNTZFG-OPDFLTKYSA-N 1 0 278.352 2.854 20 5 CFBDRO C[C@@H](C[NH2+]CC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897463265 620177101 /nfs/dbraw/zinc/17/71/01/620177101.db2.gz DNBHDHSBEGCDRZ-QWHCGFSZSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000897463768 620177127 /nfs/dbraw/zinc/17/71/27/620177127.db2.gz IPWIAKZBQHMDCM-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000897469450 620178338 /nfs/dbraw/zinc/17/83/38/620178338.db2.gz KEIQHYCUBHBAEW-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc(CO)o1)c1ccccc1[N+](=O)[O-] ZINC000897469244 620178412 /nfs/dbraw/zinc/17/84/12/620178412.db2.gz GTKHNXRHHFDYSA-LLVKDONJSA-N 1 0 290.319 2.573 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccn1C)c1ccccc1[N+](=O)[O-] ZINC000897469769 620178798 /nfs/dbraw/zinc/17/87/98/620178798.db2.gz QESALTBTMXIHNA-LBPRGKRZSA-N 1 0 273.336 2.827 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c(F)c1 ZINC000897510479 620198483 /nfs/dbraw/zinc/19/84/83/620198483.db2.gz UQBWJGHQHOSGCW-DZGCQCFKSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000897514604 620200403 /nfs/dbraw/zinc/20/04/03/620200403.db2.gz URJUTPZRKOBHSP-HOCLYGCPSA-N 1 0 290.363 2.950 20 5 CFBDRO C[NH+](C)CCSCc1cc(F)ccc1[N+](=O)[O-] ZINC000179168814 620211735 /nfs/dbraw/zinc/21/17/35/620211735.db2.gz LTNNPDRGXJATDJ-UHFFFAOYSA-N 1 0 258.318 2.529 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000897683586 620271022 /nfs/dbraw/zinc/27/10/22/620271022.db2.gz FDZLNMQYDGKCBZ-XHDPSFHLSA-N 1 0 278.352 2.531 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1Cl ZINC000897819634 620289874 /nfs/dbraw/zinc/28/98/74/620289874.db2.gz WMHUQQSDINAUNF-JPVDKZRHSA-N 1 0 294.738 2.514 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1[N+](=O)[O-] ZINC000897953454 620310131 /nfs/dbraw/zinc/31/01/31/620310131.db2.gz PIWQFVDACOINBD-YNEHKIRRSA-N 1 0 276.336 2.882 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000897957379 620311388 /nfs/dbraw/zinc/31/13/88/620311388.db2.gz CKRKPLDPQMIBGZ-VHDGCEQUSA-N 1 0 260.337 2.916 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059120 620423310 /nfs/dbraw/zinc/42/33/10/620423310.db2.gz XVWXPNQFHCXDNJ-VXGBXAGGSA-N 1 0 283.759 2.608 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C\Cl ZINC000898433339 620463648 /nfs/dbraw/zinc/46/36/48/620463648.db2.gz NBXBECCNIKAZCD-XICOKMJESA-N 1 0 297.742 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOC1CCSCC1 ZINC000898442844 620465758 /nfs/dbraw/zinc/46/57/58/620465758.db2.gz SYIJGRCMAOVSFB-UHFFFAOYSA-N 1 0 296.392 2.597 20 5 CFBDRO CNc1ccccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000902279691 621012697 /nfs/dbraw/zinc/01/26/97/621012697.db2.gz WXVDKAQFLMXAFD-UHFFFAOYSA-N 1 0 285.347 2.969 20 5 CFBDRO Cc1c([C@@H](C)N[C@@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000902448995 621090989 /nfs/dbraw/zinc/09/09/89/621090989.db2.gz KLNUOGDBYGYBJJ-BXUZGUMPSA-N 1 0 277.368 2.552 20 5 CFBDRO C[C@H](NC[C@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902491269 621103087 /nfs/dbraw/zinc/10/30/87/621103087.db2.gz WPFKQEHHMWTHOE-GXTWGEPZSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@H](OC(=O)CC[NH2+]C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902486895 621112116 /nfs/dbraw/zinc/11/21/16/621112116.db2.gz DYAFBZWAXFAAKI-NSHDSACASA-N 1 0 294.351 2.977 20 5 CFBDRO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000902674904 621146265 /nfs/dbraw/zinc/14/62/65/621146265.db2.gz YPYAHXDFVRAOPX-NEPJUHHUSA-N 1 0 278.356 2.568 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]Cc2cccnc2)cc([N+](=O)[O-])c1 ZINC000903055670 621235557 /nfs/dbraw/zinc/23/55/57/621235557.db2.gz JHLLQGXLUGZTKT-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCOCC2CC2)cc([N+](=O)[O-])c1 ZINC000903093004 621257471 /nfs/dbraw/zinc/25/74/71/621257471.db2.gz OKESVJVABQZYML-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCCF)cc([N+](=O)[O-])c1 ZINC000903125149 621261903 /nfs/dbraw/zinc/26/19/03/621261903.db2.gz KHEMKXTXLWEMOF-VIFPVBQESA-N 1 0 256.277 2.614 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000903126528 621262305 /nfs/dbraw/zinc/26/23/05/621262305.db2.gz DACBKNPBRKETGP-BMIGLBTASA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000903130856 621263871 /nfs/dbraw/zinc/26/38/71/621263871.db2.gz FLEPFKUKVVCUJD-YPMHNXCESA-N 1 0 294.351 2.823 20 5 CFBDRO CO[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903146578 621267902 /nfs/dbraw/zinc/26/79/02/621267902.db2.gz HSYHVJFFFHHBPT-JSGCOSHPSA-N 1 0 298.770 2.948 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCC(C)(C)CO)cc([N+](=O)[O-])c1 ZINC000903178300 621275674 /nfs/dbraw/zinc/27/56/74/621275674.db2.gz WJVIPZHNEXWHJT-LLVKDONJSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](C)CCCCO)cc([N+](=O)[O-])c1 ZINC000903180205 621276710 /nfs/dbraw/zinc/27/67/10/621276710.db2.gz XKJYLBCZSSJARO-NEPJUHHUSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CC23CC3)cc([N+](=O)[O-])c1 ZINC000903192334 621280518 /nfs/dbraw/zinc/28/05/18/621280518.db2.gz LLXZPDAMPUIQTI-ZANVPECISA-N 1 0 262.309 2.807 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903210134 621289067 /nfs/dbraw/zinc/28/90/67/621289067.db2.gz SYLOLXCQULHUFZ-USXUVBGUSA-N 1 0 294.351 2.820 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC000903246151 621295752 /nfs/dbraw/zinc/29/57/52/621295752.db2.gz RMNGKGOPAADNRK-NEPJUHHUSA-N 1 0 280.368 2.695 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245716 621296540 /nfs/dbraw/zinc/29/65/40/621296540.db2.gz OMQNFAITOANQGX-RISCZKNCSA-N 1 0 278.352 2.855 20 5 CFBDRO CN1CC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903318464 621331072 /nfs/dbraw/zinc/33/10/72/621331072.db2.gz QAWVEAQPKNEURR-DOMZBBRYSA-N 1 0 289.379 2.611 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903436157 621374069 /nfs/dbraw/zinc/37/40/69/621374069.db2.gz HOEQJFOZDZMHQB-NZVBXONLSA-N 1 0 276.336 2.670 20 5 CFBDRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903858552 621457469 /nfs/dbraw/zinc/45/74/69/621457469.db2.gz YTYZKXKIVOVQON-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903858549 621457772 /nfs/dbraw/zinc/45/77/72/621457772.db2.gz YTYZKXKIVOVQON-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO CC(C)(C)CC[C@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000904363097 621585325 /nfs/dbraw/zinc/58/53/25/621585325.db2.gz BBAFAWIVSKDSFG-ZDUSSCGKSA-N 1 0 279.384 2.838 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000905032216 621683494 /nfs/dbraw/zinc/68/34/94/621683494.db2.gz BBMYXEOMAMNUHE-GFCCVEGCSA-N 1 0 291.351 2.655 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000905079094 621690395 /nfs/dbraw/zinc/69/03/95/621690395.db2.gz DUTUAXFDZJMUQW-UHFFFAOYSA-N 1 0 284.306 2.643 20 5 CFBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1F ZINC000905213056 621724469 /nfs/dbraw/zinc/72/44/69/621724469.db2.gz BHGFIGHXAOEGFE-UHFFFAOYSA-N 1 0 274.723 2.623 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000905401244 621759049 /nfs/dbraw/zinc/75/90/49/621759049.db2.gz XPWCDENIHKNRIF-GFCCVEGCSA-N 1 0 254.717 2.584 20 5 CFBDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905428158 621769539 /nfs/dbraw/zinc/76/95/39/621769539.db2.gz ZBXJIRTWHFDAMV-HIFRSBDPSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905473900 621773476 /nfs/dbraw/zinc/77/34/76/621773476.db2.gz OGNUYIKLRLLCNP-WXMODFLSSA-N 1 0 290.363 2.510 20 5 CFBDRO C[C@@H](C[NH2+]CC1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905644865 621817380 /nfs/dbraw/zinc/81/73/80/621817380.db2.gz SLDUZWKVTWZRMF-LBPRGKRZSA-N 1 0 278.352 2.593 20 5 CFBDRO O=[N+]([O-])c1ccc(CO)c(-c2cncc([C@H]3CCC[NH2+]3)c2)c1 ZINC000906172715 621943869 /nfs/dbraw/zinc/94/38/69/621943869.db2.gz SYBOUUMOOHMHQP-MRXNPFEDSA-N 1 0 299.330 2.574 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(OCC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000906508464 621995040 /nfs/dbraw/zinc/99/50/40/621995040.db2.gz YXKUSRIIQAYZNM-LBPRGKRZSA-N 1 0 294.351 2.857 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000183887552 625554695 /nfs/dbraw/zinc/55/46/95/625554695.db2.gz YZROFSXDAVGEMK-LBPRGKRZSA-N 1 0 294.351 2.707 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3C4CCC3CC4)c2c1 ZINC000912788769 622776736 /nfs/dbraw/zinc/77/67/36/622776736.db2.gz MPRXOFPMNVESHY-UHFFFAOYSA-N 1 0 272.308 2.529 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000222948526 622976363 /nfs/dbraw/zinc/97/63/63/622976363.db2.gz DBEXKIKWWYEZBA-JSGCOSHPSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000841100165 622981432 /nfs/dbraw/zinc/98/14/32/622981432.db2.gz VZRITOOYAVLVRL-ZYHUDNBSSA-N 1 0 297.786 2.665 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000226095758 623057967 /nfs/dbraw/zinc/05/79/67/623057967.db2.gz CCGJQSGZYYEPBZ-JTQLQIEISA-N 1 0 269.732 2.754 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000226112941 623058378 /nfs/dbraw/zinc/05/83/78/623058378.db2.gz FIPANPMGLIPJGW-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cccnc32)cc1 ZINC000226813436 623090244 /nfs/dbraw/zinc/09/02/44/623090244.db2.gz HEGNRZIEPSNZIT-AWEZNQCLSA-N 1 0 269.304 2.767 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CCC(O)CC1 ZINC000227770749 623119267 /nfs/dbraw/zinc/11/92/67/623119267.db2.gz SXGOWXBHLNALAV-UHFFFAOYSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228361934 623141332 /nfs/dbraw/zinc/14/13/32/623141332.db2.gz RQJVEJVWDXVVIG-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000822644837 623141697 /nfs/dbraw/zinc/14/16/97/623141697.db2.gz YNXPJJNJEZEDLM-NWDGAFQWSA-N 1 0 288.307 2.500 20 5 CFBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000822654902 623143402 /nfs/dbraw/zinc/14/34/02/623143402.db2.gz SZTQNRUSLMDCMX-VXGBXAGGSA-N 1 0 288.307 2.500 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823200206 623259603 /nfs/dbraw/zinc/25/96/03/623259603.db2.gz RSZVZCYVTUBEDF-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000230669885 623289555 /nfs/dbraw/zinc/28/95/55/623289555.db2.gz ANLNDLNCQVXMTQ-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230696732 623292322 /nfs/dbraw/zinc/29/23/22/623292322.db2.gz FMVUVECLGOXWIB-YPMHNXCESA-N 1 0 266.366 2.969 20 5 CFBDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230696740 623292776 /nfs/dbraw/zinc/29/27/76/623292776.db2.gz FMVUVECLGOXWIB-AAEUAGOBSA-N 1 0 266.366 2.969 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000172919443 623317452 /nfs/dbraw/zinc/31/74/52/623317452.db2.gz SJYOHVZHORUDHY-MNOVXSKESA-N 1 0 280.372 2.876 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000063196400 623331823 /nfs/dbraw/zinc/33/18/23/623331823.db2.gz QPUCALPNZXJFLV-IINYFYTJSA-N 1 0 297.786 2.950 20 5 CFBDRO C[NH2+]CCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000231647737 623364254 /nfs/dbraw/zinc/36/42/54/623364254.db2.gz PRCXWSGZPQHKKI-UHFFFAOYSA-N 1 0 279.123 2.890 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@H](C)O2)cccc1[N+](=O)[O-] ZINC000231884550 623373408 /nfs/dbraw/zinc/37/34/08/623373408.db2.gz BSIPOFOSTKRUOO-GWCFXTLKSA-N 1 0 264.325 2.560 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCn2ccnc21 ZINC000824527983 623519094 /nfs/dbraw/zinc/51/90/94/623519094.db2.gz ZABFTIPQKNBTTC-SAAWKEMMSA-N 1 0 298.346 2.929 20 5 CFBDRO C[C@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824608205 623532393 /nfs/dbraw/zinc/53/23/93/623532393.db2.gz DHSIYIDCHLBUKA-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825339001 623676670 /nfs/dbraw/zinc/67/66/70/623676670.db2.gz XXZYSCYDQOGMAE-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO Cc1cccc(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000825452009 623697551 /nfs/dbraw/zinc/69/75/51/623697551.db2.gz DQJNAMYSAUFFIR-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO CC(C)(C)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000153275107 623912466 /nfs/dbraw/zinc/91/24/66/623912466.db2.gz ZZAGAEOOZXQGBD-LBPRGKRZSA-N 1 0 280.372 2.897 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]12 ZINC000915208260 623997960 /nfs/dbraw/zinc/99/79/60/623997960.db2.gz DEKBZBOHQALRBK-MRVWCRGKSA-N 1 0 278.356 2.649 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368145 624073308 /nfs/dbraw/zinc/07/33/08/624073308.db2.gz RTCMUZOZMBRRIR-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000918150922 624423156 /nfs/dbraw/zinc/42/31/56/624423156.db2.gz DGMRFRVFLAULDJ-CYBMUJFWSA-N 1 0 296.392 2.801 20 5 CFBDRO CC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831533856 625044923 /nfs/dbraw/zinc/04/49/23/625044923.db2.gz LCHQRTRLPSOOSZ-AWEZNQCLSA-N 1 0 276.336 2.753 20 5 CFBDRO COC(OC)[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922312647 626267250 /nfs/dbraw/zinc/26/72/50/626267250.db2.gz FOOSPPFVVSOIRJ-OBIHZWKSSA-N 1 0 294.351 2.595 20 5 CFBDRO Cc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000922543471 626307466 /nfs/dbraw/zinc/30/74/66/626307466.db2.gz QGYMAXWIEMHLAM-SNVBAGLBSA-N 1 0 272.308 2.544 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000922735991 626353528 /nfs/dbraw/zinc/35/35/28/626353528.db2.gz ZIQNRZMXIWBERO-GXSJLCMTSA-N 1 0 274.242 2.883 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000922987122 626439915 /nfs/dbraw/zinc/43/99/15/626439915.db2.gz DHYHZPRISTUOKH-SJORKVTESA-N 1 0 298.342 2.733 20 5 CFBDRO Cc1c(CN2CC[C@@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923537367 626479022 /nfs/dbraw/zinc/47/90/22/626479022.db2.gz AGUAQKOXYLMGLG-MRXNPFEDSA-N 1 0 289.379 2.621 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000838797128 626505514 /nfs/dbraw/zinc/50/55/14/626505514.db2.gz NIBLNWXADOFKPD-OAHLLOKOSA-N 1 0 278.352 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)C3CC3)C2)cc1 ZINC000839032285 626521275 /nfs/dbraw/zinc/52/12/75/626521275.db2.gz PSGMTNDBWBKUQK-HOCLYGCPSA-N 1 0 290.363 2.545 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839191892 626530672 /nfs/dbraw/zinc/53/06/72/626530672.db2.gz LQJQGRFUIHXPIJ-CQSZACIVSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000839681124 626552225 /nfs/dbraw/zinc/55/22/25/626552225.db2.gz PRAPFYAEZMXEQL-GOEBONIOSA-N 1 0 290.363 2.750 20 5 CFBDRO CC[C@@H]([NH2+]C1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000757706590 626559805 /nfs/dbraw/zinc/55/98/05/626559805.db2.gz XDXHKLARPAKXNQ-CQSZACIVSA-N 1 0 294.351 2.787 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924705 626702432 /nfs/dbraw/zinc/70/24/32/626702432.db2.gz ZGPQSOWEKPQKIR-IUODEOHRSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@H+](CCC1CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000760880457 626780483 /nfs/dbraw/zinc/78/04/83/626780483.db2.gz KCAAGSIFGBIXEW-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520244 626842048 /nfs/dbraw/zinc/84/20/48/626842048.db2.gz NDRBZHGBMNLDHP-ZDUSSCGKSA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CC2)cc1Cl ZINC000761521124 626842118 /nfs/dbraw/zinc/84/21/18/626842118.db2.gz UIXDWOOPLLETJD-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766252497 627188093 /nfs/dbraw/zinc/18/80/93/627188093.db2.gz GEXXDDUWDHTNFV-NWDGAFQWSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272569 627189233 /nfs/dbraw/zinc/18/92/33/627189233.db2.gz YWAVGOKXJINYJS-STQMWFEESA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000851896623 634577282 /nfs/dbraw/zinc/57/72/82/634577282.db2.gz KRHDLGRLGITZOS-RISCZKNCSA-N 1 0 294.351 2.787 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000773017662 627769600 /nfs/dbraw/zinc/76/96/00/627769600.db2.gz SURISQCTQFSXAO-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000773017656 627769851 /nfs/dbraw/zinc/76/98/51/627769851.db2.gz SURISQCTQFSXAO-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCCCCCC2)cc1 ZINC000776271156 628125263 /nfs/dbraw/zinc/12/52/63/628125263.db2.gz IFMYTQSASQOCBL-HNNXBMFYSA-N 1 0 278.352 2.894 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589175 628162393 /nfs/dbraw/zinc/16/23/93/628162393.db2.gz PVSFPUWAZUYZHE-LALPHHSUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589181 628162474 /nfs/dbraw/zinc/16/24/74/628162474.db2.gz PVSFPUWAZUYZHE-XUJVJEKNSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+](CC2CC2)CC2CC2)cc1 ZINC000776591795 628163128 /nfs/dbraw/zinc/16/31/28/628163128.db2.gz HQCBINJXLAJTMV-INIZCTEOSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000776593039 628163399 /nfs/dbraw/zinc/16/33/99/628163399.db2.gz UISNJXWOHDMMTP-OFQRWUPVSA-N 1 0 290.363 2.750 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776596436 628163975 /nfs/dbraw/zinc/16/39/75/628163975.db2.gz DGXVBCNAZZDDOH-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1nn(C[N@@H+](CC(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000779859228 628414950 /nfs/dbraw/zinc/41/49/50/628414950.db2.gz QNGVDTUMXMKPFF-UHFFFAOYSA-N 1 0 280.372 2.958 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000780569061 628478328 /nfs/dbraw/zinc/47/83/28/628478328.db2.gz ZDEAFUWCAFDJHV-CQSZACIVSA-N 1 0 262.309 2.686 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597145 628725250 /nfs/dbraw/zinc/72/52/50/628725250.db2.gz REZOYVPXEJRISL-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000783638684 628729004 /nfs/dbraw/zinc/72/90/04/628729004.db2.gz ISTKIZFIEPMPPB-KOLCDFICSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783648431 628730357 /nfs/dbraw/zinc/73/03/57/628730357.db2.gz JFFTYUKVSDUMLI-GXSJLCMTSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783654746 628731966 /nfs/dbraw/zinc/73/19/66/628731966.db2.gz CJZJQWUIMIUTSX-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000783729306 628738124 /nfs/dbraw/zinc/73/81/24/628738124.db2.gz MPENHXWYISDFDH-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCCC1 ZINC000787980140 629045583 /nfs/dbraw/zinc/04/55/83/629045583.db2.gz BDFJYOLTNDNJEC-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO C[C@@H](NCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500035 629074915 /nfs/dbraw/zinc/07/49/15/629074915.db2.gz YDXXPUSQIAXQCV-SECBINFHSA-N 1 0 261.281 2.621 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595043 629085114 /nfs/dbraw/zinc/08/51/14/629085114.db2.gz ZGENMPYAYKFZMB-FIXISWKDSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788685667 629092434 /nfs/dbraw/zinc/09/24/34/629092434.db2.gz JNJRWODXCYKJBU-GMTAPVOTSA-N 1 0 293.367 2.784 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000835086871 629386200 /nfs/dbraw/zinc/38/62/00/629386200.db2.gz MUZSLNHEMOIWAZ-KOLCDFICSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1nn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000794703167 629676509 /nfs/dbraw/zinc/67/65/09/629676509.db2.gz AIFOBQXBASEJMF-LBPRGKRZSA-N 1 0 280.372 2.815 20 5 CFBDRO CSCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000799161822 630281956 /nfs/dbraw/zinc/28/19/56/630281956.db2.gz DYWMNCDFXWUJMS-UHFFFAOYSA-N 1 0 294.380 2.587 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804348058 630674552 /nfs/dbraw/zinc/67/45/52/630674552.db2.gz LNXFEVFFPNMOJK-SNVBAGLBSA-N 1 0 296.327 2.645 20 5 CFBDRO C[NH+](C)C[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000804400138 630679477 /nfs/dbraw/zinc/67/94/77/630679477.db2.gz NONKQXLINNAAMR-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000808447238 630993051 /nfs/dbraw/zinc/99/30/51/630993051.db2.gz YEGXRMJHRRLDEU-LRDDRELGSA-N 1 0 286.331 2.807 20 5 CFBDRO C[C@@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000841057435 631323452 /nfs/dbraw/zinc/32/34/52/631323452.db2.gz MPPQGSNMINFSEO-CQSZACIVSA-N 1 0 297.786 2.728 20 5 CFBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841693210 631453435 /nfs/dbraw/zinc/45/34/35/631453435.db2.gz TYMOIQLRLCGJEV-VXGBXAGGSA-N 1 0 280.372 2.895 20 5 CFBDRO CC1(C)C[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476211 631640119 /nfs/dbraw/zinc/64/01/19/631640119.db2.gz JEDWCQFKFVBVSQ-CYBMUJFWSA-N 1 0 297.786 2.726 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842646789 631691346 /nfs/dbraw/zinc/69/13/46/631691346.db2.gz JIEVCOCPTXPAOD-VIFPVBQESA-N 1 0 294.698 2.723 20 5 CFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000843054141 631817720 /nfs/dbraw/zinc/81/77/20/631817720.db2.gz ZDSGJIZKGYSYEO-IINYFYTJSA-N 1 0 297.786 2.807 20 5 CFBDRO CC(C)[C@](C)(C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000843355898 631935174 /nfs/dbraw/zinc/93/51/74/631935174.db2.gz LPRXKXKUSMECCP-ZDUSSCGKSA-N 1 0 285.775 2.711 20 5 CFBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000814251964 632045853 /nfs/dbraw/zinc/04/58/53/632045853.db2.gz YOMXLYMXQSXIQU-CABCVRRESA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC23CCCC3)c1 ZINC000844277144 632152802 /nfs/dbraw/zinc/15/28/02/632152802.db2.gz ZLWANPPIRKGXKE-CQSZACIVSA-N 1 0 276.336 2.647 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844464824 632221493 /nfs/dbraw/zinc/22/14/93/632221493.db2.gz UQZDDYCPKYEEHX-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO Cc1ncsc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576752 632291248 /nfs/dbraw/zinc/29/12/48/632291248.db2.gz XTFATZQCXLBUQO-MRVPVSSYSA-N 1 0 292.364 2.793 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601242 632296673 /nfs/dbraw/zinc/29/66/73/632296673.db2.gz QUEXWVWCYIGCDF-IXPVHAAZSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815613924 632297344 /nfs/dbraw/zinc/29/73/44/632297344.db2.gz AJAZSRUWLXDJHK-GVXVVHGQSA-N 1 0 293.367 2.643 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc(F)c2)cc1 ZINC000105908946 632435108 /nfs/dbraw/zinc/43/51/08/632435108.db2.gz KDDUYRQBYAZRHS-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845667824 632512655 /nfs/dbraw/zinc/51/26/55/632512655.db2.gz IRGHXXYFYFOGEO-LBPRGKRZSA-N 1 0 292.335 2.544 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000817370254 632615544 /nfs/dbraw/zinc/61/55/44/632615544.db2.gz ITYWHEWKAZXPFO-ZDUSSCGKSA-N 1 0 278.356 2.569 20 5 CFBDRO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000856805252 635865738 /nfs/dbraw/zinc/86/57/38/635865738.db2.gz LTLVHLGUCWOOQL-GFCCVEGCSA-N 1 0 296.342 2.717 20 5 CFBDRO CCC[C@@H](CC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818983447 632921565 /nfs/dbraw/zinc/92/15/65/632921565.db2.gz IKNUPMDAHYNSSY-TZMCWYRMSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000819249981 633039094 /nfs/dbraw/zinc/03/90/94/633039094.db2.gz QNDOGSZBCPOIPA-VXGBXAGGSA-N 1 0 291.351 2.702 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819279755 633050635 /nfs/dbraw/zinc/05/06/35/633050635.db2.gz RFDYZPRPXUPZKA-LALPHHSUSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@H]([NH2+]CC1CC(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857081270 635926390 /nfs/dbraw/zinc/92/63/90/635926390.db2.gz DKSYTYZSMBCFDF-YVNMAJEFSA-N 1 0 263.341 2.874 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857080971 635926714 /nfs/dbraw/zinc/92/67/14/635926714.db2.gz MDLVCHSZUMFRDX-SCZZXKLOSA-N 1 0 285.294 2.873 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480676 633265162 /nfs/dbraw/zinc/26/51/62/633265162.db2.gz QGHCJAFVLSBROA-LBPRGKRZSA-N 1 0 286.335 2.900 20 5 CFBDRO CC[C@H](C)NC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000849006553 633457478 /nfs/dbraw/zinc/45/74/78/633457478.db2.gz PZLAIIAIXGRMGQ-LBPRGKRZSA-N 1 0 292.383 2.830 20 5 CFBDRO CC[C@@H](C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849326230 633618346 /nfs/dbraw/zinc/61/83/46/633618346.db2.gz BIIAUCSZTZHEHX-RISCZKNCSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C=CCC2)n1 ZINC000850508951 634023848 /nfs/dbraw/zinc/02/38/48/634023848.db2.gz MJQNEPDMDNLTJN-FRRDWIJNSA-N 1 0 276.340 2.583 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C=CCC2)n1 ZINC000850508954 634024163 /nfs/dbraw/zinc/02/41/63/634024163.db2.gz MJQNEPDMDNLTJN-YNEHKIRRSA-N 1 0 276.340 2.583 20 5 CFBDRO C[C@H]([NH2+]CC1SCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850559395 634053372 /nfs/dbraw/zinc/05/33/72/634053372.db2.gz BNPAGTANWOEXIW-QMMMGPOBSA-N 1 0 299.421 2.634 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850569888 634055999 /nfs/dbraw/zinc/05/59/99/634055999.db2.gz COJRSDCZCANQNE-CMPLNLGQSA-N 1 0 293.367 2.643 20 5 CFBDRO CC(C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)[NH3+] ZINC000109504613 634069933 /nfs/dbraw/zinc/06/99/33/634069933.db2.gz KBUAPIVXPKGCKF-BXKDBHETSA-N 1 0 290.323 2.732 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000852771889 634830700 /nfs/dbraw/zinc/83/07/00/634830700.db2.gz JHZNWGQRALGUKX-GXTWGEPZSA-N 1 0 278.352 2.606 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC000852771892 634830616 /nfs/dbraw/zinc/83/06/16/634830616.db2.gz JHZNWGQRALGUKX-OCCSQVGLSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1cc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000853245388 634950527 /nfs/dbraw/zinc/95/05/27/634950527.db2.gz UTFWNSJJBOBCHT-LLVKDONJSA-N 1 0 283.397 2.743 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H]4C[C@H]4C3)c2)c1 ZINC000853575275 635039321 /nfs/dbraw/zinc/03/93/21/635039321.db2.gz CXWMGCWDLRGXQH-KBPBESRZSA-N 1 0 298.346 2.758 20 5 CFBDRO CC[C@H]([NH2+]C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000854159630 635235674 /nfs/dbraw/zinc/23/56/74/635235674.db2.gz BBCSBFYUEJIOJI-NSHDSACASA-N 1 0 276.296 2.624 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445446 636243965 /nfs/dbraw/zinc/24/39/65/636243965.db2.gz JNEQGTMAALGDSM-VXGBXAGGSA-N 1 0 293.367 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000862529520 637409262 /nfs/dbraw/zinc/40/92/62/637409262.db2.gz MJOJJHFOVFIFQZ-SMDDNHRTSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119000835 637457438 /nfs/dbraw/zinc/45/74/38/637457438.db2.gz SSXZMWRGMJRJNQ-ZDUSSCGKSA-N 1 0 298.770 2.984 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000119524063 637701283 /nfs/dbraw/zinc/70/12/83/637701283.db2.gz CPQRNNXENZCRFZ-LLVKDONJSA-N 1 0 274.324 2.634 20 5 CFBDRO Cc1c(Cl)cccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000865496002 638379795 /nfs/dbraw/zinc/37/97/95/638379795.db2.gz PGWAMPKTKHQNHP-UHFFFAOYSA-N 1 0 294.742 2.543 20 5 CFBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865941096 638668208 /nfs/dbraw/zinc/66/82/08/638668208.db2.gz VWBYGJMELXJWCC-UHFFFAOYSA-N 1 0 285.294 2.530 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000866054722 638716017 /nfs/dbraw/zinc/71/60/17/638716017.db2.gz HRKVGLZSGXMMAQ-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO C[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])CCC1(C)C ZINC000866112523 638742878 /nfs/dbraw/zinc/74/28/78/638742878.db2.gz DVWXSOWTZOHSSE-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866240884 638778144 /nfs/dbraw/zinc/77/81/44/638778144.db2.gz PKOYQWHIHNEHGG-FZMZJTMJSA-N 1 0 298.358 2.662 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866254072 638781455 /nfs/dbraw/zinc/78/14/55/638781455.db2.gz KVILJUAKGNIJTM-WDEREUQCSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCC1CC1 ZINC000866264320 638783952 /nfs/dbraw/zinc/78/39/52/638783952.db2.gz YDBBIWHYCSSDHQ-LLVKDONJSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000866265776 638784390 /nfs/dbraw/zinc/78/43/90/638784390.db2.gz RQVVBUIIZVSMEL-ABAIWWIYSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000866304385 638793108 /nfs/dbraw/zinc/79/31/08/638793108.db2.gz WYYHBWDUOIVUQN-JOYOIKCWSA-N 1 0 284.356 2.760 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000866313305 638795684 /nfs/dbraw/zinc/79/56/84/638795684.db2.gz YWOJBPKBSHKSNE-ZJUUUORDSA-N 1 0 292.314 2.739 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000866313303 638795744 /nfs/dbraw/zinc/79/57/44/638795744.db2.gz YWOJBPKBSHKSNE-UWVGGRQHSA-N 1 0 292.314 2.739 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340344 638799217 /nfs/dbraw/zinc/79/92/17/638799217.db2.gz DBYRVHGFSKBCIG-FSHFUFFASA-N 1 0 296.342 2.582 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866363568 638804291 /nfs/dbraw/zinc/80/42/91/638804291.db2.gz MNIJIYYTBBIEKN-ZUZCIYMTSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364851 638804730 /nfs/dbraw/zinc/80/47/30/638804730.db2.gz DFWNANNYORFVRP-RYUDHWBXSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866498994 638831168 /nfs/dbraw/zinc/83/11/68/638831168.db2.gz CBULCFDGRCICMZ-SKWCMTHISA-N 1 0 289.257 2.778 20 5 CFBDRO CCCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121087497 638832037 /nfs/dbraw/zinc/83/20/37/638832037.db2.gz IVZMMJLGIIWGQG-UHFFFAOYSA-N 1 0 276.340 2.942 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000866540017 638838583 /nfs/dbraw/zinc/83/85/83/638838583.db2.gz JEUCAKLRVNZFPJ-HNNXBMFYSA-N 1 0 290.363 2.952 20 5 CFBDRO Cc1ccc(CN2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000866668306 638863810 /nfs/dbraw/zinc/86/38/10/638863810.db2.gz BUAJFUDXXQFORL-UHFFFAOYSA-N 1 0 289.379 2.607 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121240016 638875166 /nfs/dbraw/zinc/87/51/66/638875166.db2.gz WMXSBEHUJOWNMT-JQWIXIFHSA-N 1 0 288.351 2.941 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC=CC3)CC2)cc1 ZINC000122132147 638942070 /nfs/dbraw/zinc/94/20/70/638942070.db2.gz SJDXFOQXSWIITC-UHFFFAOYSA-N 1 0 287.363 2.872 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122482726 639106008 /nfs/dbraw/zinc/10/60/08/639106008.db2.gz NMFKODXXCCFHKG-VIFPVBQESA-N 1 0 270.716 2.627 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000122561415 639216881 /nfs/dbraw/zinc/21/68/81/639216881.db2.gz RDVLPCZSABKMDC-GXTWGEPZSA-N 1 0 280.368 2.961 20 5 CFBDRO CCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000079032883 650556806 /nfs/dbraw/zinc/55/68/06/650556806.db2.gz MHVNUPMOIIFTCL-UHFFFAOYSA-N 1 0 262.313 2.634 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016080 641547029 /nfs/dbraw/zinc/54/70/29/641547029.db2.gz DJQMYEMRVCZTFL-VHSXEESVSA-N 1 0 268.288 2.564 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016078 641547252 /nfs/dbraw/zinc/54/72/52/641547252.db2.gz DJQMYEMRVCZTFL-NXEZZACHSA-N 1 0 268.288 2.564 20 5 CFBDRO CSCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019225 641549723 /nfs/dbraw/zinc/54/97/23/641549723.db2.gz UQWOZGDMJPKLMM-QMMMGPOBSA-N 1 0 258.318 2.748 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019885 641550693 /nfs/dbraw/zinc/55/06/93/641550693.db2.gz BAAGTLHHTWAGDI-WDEREUQCSA-N 1 0 292.314 2.670 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019883 641551300 /nfs/dbraw/zinc/55/13/00/641551300.db2.gz BAAGTLHHTWAGDI-MNOVXSKESA-N 1 0 292.314 2.670 20 5 CFBDRO C[C@@H]([NH2+]CC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030415 641560912 /nfs/dbraw/zinc/56/09/12/641560912.db2.gz FDDLYVKULDFLMB-SNVBAGLBSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@H](NC[C@H](C)[N@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034518 641565480 /nfs/dbraw/zinc/56/54/80/641565480.db2.gz PJSWNVCXHKKSRP-QWRGUYRKSA-N 1 0 295.358 2.867 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CCO ZINC000872039293 641573748 /nfs/dbraw/zinc/57/37/48/641573748.db2.gz FMFIDQFEINMKBX-QWRGUYRKSA-N 1 0 298.408 2.986 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043546 641577551 /nfs/dbraw/zinc/57/75/51/641577551.db2.gz JFHQUHIBPSORQR-ZJUUUORDSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051349 641584528 /nfs/dbraw/zinc/58/45/28/641584528.db2.gz JJZBGQJIGBEBLQ-ONGXEEELSA-N 1 0 282.315 2.546 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872073208 641604740 /nfs/dbraw/zinc/60/47/40/641604740.db2.gz OROOCLYXBRCPOD-VHSXEESVSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@@H](NC[C@H](C)C[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073067 641604826 /nfs/dbraw/zinc/60/48/26/641604826.db2.gz LZAZLRVNWXEIMI-WDEREUQCSA-N 1 0 283.347 2.582 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872073207 641604861 /nfs/dbraw/zinc/60/48/61/641604861.db2.gz OROOCLYXBRCPOD-UWVGGRQHSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075066 641606537 /nfs/dbraw/zinc/60/65/37/641606537.db2.gz NIBQHFHDWDJBFU-QWRGUYRKSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076293 641607923 /nfs/dbraw/zinc/60/79/23/641607923.db2.gz YVDCVLDNAXHIEF-QWRGUYRKSA-N 1 0 284.331 2.793 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C/C=C\CO ZINC000872086847 641620610 /nfs/dbraw/zinc/62/06/10/641620610.db2.gz YJGKCHPIYYWQKF-UMBAGQNISA-N 1 0 282.365 2.516 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089759 641623753 /nfs/dbraw/zinc/62/37/53/641623753.db2.gz DLVMDNFPMPQQPV-OPRDCNLKSA-N 1 0 268.288 2.562 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091484 641624335 /nfs/dbraw/zinc/62/43/35/641624335.db2.gz IIPXNRGFKJVMFH-SVDPJWKOSA-N 1 0 282.315 2.950 20 5 CFBDRO CC1(C)CO[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000872105231 641636591 /nfs/dbraw/zinc/63/65/91/641636591.db2.gz DSHWNKDPBPHNAR-BXUZGUMPSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000872779614 641933774 /nfs/dbraw/zinc/93/37/74/641933774.db2.gz HFSWPQNVKDPZEN-LSDHHAIUSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000873022317 641987417 /nfs/dbraw/zinc/98/74/17/641987417.db2.gz UWCRUKCJSKELDG-DLBZAZTESA-N 1 0 298.342 2.651 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CCOC1 ZINC000873049639 641995728 /nfs/dbraw/zinc/99/57/28/641995728.db2.gz JTAFNMHWXQQILN-OAHLLOKOSA-N 1 0 278.352 2.728 20 5 CFBDRO Cc1c(C[NH2+]CC[S@](=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873053004 641996440 /nfs/dbraw/zinc/99/64/40/641996440.db2.gz CEOXVAPLJDQJAU-FQEVSTJZSA-N 1 0 298.408 2.540 20 5 CFBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873052465 641996516 /nfs/dbraw/zinc/99/65/16/641996516.db2.gz YDTSTXLSGQJCKS-BMIGLBTASA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000873061179 641999721 /nfs/dbraw/zinc/99/97/21/641999721.db2.gz PDCWADRHNOINFQ-CQSZACIVSA-N 1 0 290.319 2.628 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC[C@@H]1C ZINC000873064713 642000991 /nfs/dbraw/zinc/00/09/91/642000991.db2.gz GKFMJLJDDRRZRB-ZDUSSCGKSA-N 1 0 291.395 2.786 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000873106079 642014405 /nfs/dbraw/zinc/01/44/05/642014405.db2.gz DNNBVVKSXIYTNX-GOEBONIOSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)C(C)C ZINC000873127095 642021379 /nfs/dbraw/zinc/02/13/79/642021379.db2.gz MFLOPJUGDPEEKJ-CYBMUJFWSA-N 1 0 280.368 2.566 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000873128373 642021433 /nfs/dbraw/zinc/02/14/33/642021433.db2.gz MFCCLACDWUMAHW-MLGOLLRUSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000873132298 642023398 /nfs/dbraw/zinc/02/33/98/642023398.db2.gz NXLMTWJRXVPVOA-TZMCWYRMSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cs1 ZINC000873154846 642035924 /nfs/dbraw/zinc/03/59/24/642035924.db2.gz BKYSPUVUJXODOS-SRVKXCTJSA-N 1 0 282.365 2.704 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000125234314 642564419 /nfs/dbraw/zinc/56/44/19/642564419.db2.gz AUUMRCHKGDEVMK-MFKMUULPSA-N 1 0 276.292 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCO[C@H](C)C1 ZINC000876684025 642971812 /nfs/dbraw/zinc/97/18/12/642971812.db2.gz GWZSUASWTDOMHV-GFCCVEGCSA-N 1 0 278.352 2.822 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1C ZINC000876894872 643055594 /nfs/dbraw/zinc/05/55/94/643055594.db2.gz STGLYNOODGJAKQ-BRUFSJIZSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877042658 643117849 /nfs/dbraw/zinc/11/78/49/643117849.db2.gz UEZGVTFTYAOLLW-UNXYVOJBSA-N 1 0 280.372 2.767 20 5 CFBDRO CC1(C)CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877118879 643160578 /nfs/dbraw/zinc/16/05/78/643160578.db2.gz OMPYODVGMQMSAR-UNXYVOJBSA-N 1 0 278.356 2.663 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000126518013 643263237 /nfs/dbraw/zinc/26/32/37/643263237.db2.gz RIGYAQMCPSMRDN-UHFFFAOYSA-N 1 0 275.352 2.563 20 5 CFBDRO CC[C@@]1(O)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877441060 643273570 /nfs/dbraw/zinc/27/35/70/643273570.db2.gz UYUULCGTZIOTBY-OAHLLOKOSA-N 1 0 278.352 2.558 20 5 CFBDRO Cc1sc(C(=O)N(C)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000877440829 643273670 /nfs/dbraw/zinc/27/36/70/643273670.db2.gz MUKJRKGTUBMHEX-UHFFFAOYSA-N 1 0 299.396 2.556 20 5 CFBDRO Cc1c(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530706 643334608 /nfs/dbraw/zinc/33/46/08/643334608.db2.gz GDNMGPINBGDDIB-IUODEOHRSA-N 1 0 291.395 2.675 20 5 CFBDRO CCC(C)(C)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877623672 643410376 /nfs/dbraw/zinc/41/03/76/643410376.db2.gz WSXPJJIDJUOUDP-VOMCLLRMSA-N 1 0 280.372 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c(F)c1 ZINC000877739178 643504160 /nfs/dbraw/zinc/50/41/60/643504160.db2.gz RRKOYLYSMYNSAF-VXGBXAGGSA-N 1 0 296.367 2.919 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC[C@@H]3C=CCC3)C2)c1 ZINC000877805199 643567031 /nfs/dbraw/zinc/56/70/31/643567031.db2.gz INXDMLMUVFODJB-IYXRBSQSSA-N 1 0 290.367 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC000877805508 643567043 /nfs/dbraw/zinc/56/70/43/643567043.db2.gz KDOVCYGXUZBUQV-CWRNSKLLSA-N 1 0 290.363 2.685 20 5 CFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126729104 643590811 /nfs/dbraw/zinc/59/08/11/643590811.db2.gz HWBSHQHRXQSOCP-KBPBESRZSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000877827803 643593224 /nfs/dbraw/zinc/59/32/24/643593224.db2.gz RZSQAWPIKPWDDI-IXPVHAAZSA-N 1 0 276.336 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCC3CC3)C2)nc1 ZINC000878250862 643807928 /nfs/dbraw/zinc/80/79/28/643807928.db2.gz CQCGHRLWJVTQGL-CYBMUJFWSA-N 1 0 290.367 2.666 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000127935093 644378466 /nfs/dbraw/zinc/37/84/66/644378466.db2.gz VDTGQQIVCPTYCH-SKDRFNHKSA-N 1 0 288.307 2.705 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879960750 644476637 /nfs/dbraw/zinc/47/66/37/644476637.db2.gz MHZYBLNNFWONTA-GFCCVEGCSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000880141243 644550995 /nfs/dbraw/zinc/55/09/95/644550995.db2.gz OJINHVAUIQXVIX-HUUCEWRRSA-N 1 0 289.379 2.572 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000880186573 644569422 /nfs/dbraw/zinc/56/94/22/644569422.db2.gz GRYAEUIJCZMXCO-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000880231963 644591852 /nfs/dbraw/zinc/59/18/52/644591852.db2.gz CGMXWFHPMCRVGW-GFCCVEGCSA-N 1 0 282.315 2.655 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633620 650943284 /nfs/dbraw/zinc/94/32/84/650943284.db2.gz WGPKTLXYCYILCO-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO CC1([NH+]2CCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000880471875 644727224 /nfs/dbraw/zinc/72/72/24/644727224.db2.gz AEEMQHFXCVSUEI-UHFFFAOYSA-N 1 0 295.408 2.717 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](C2CCC2)CC1 ZINC000882429011 645309209 /nfs/dbraw/zinc/30/92/09/645309209.db2.gz CWXIDVVYTCILIV-UHFFFAOYSA-N 1 0 294.330 2.558 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000882660312 645403737 /nfs/dbraw/zinc/40/37/37/645403737.db2.gz NXVKFPVLHZGVSK-LLVKDONJSA-N 1 0 294.330 2.558 20 5 CFBDRO CSCC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130186545 645468354 /nfs/dbraw/zinc/46/83/54/645468354.db2.gz DOLXRAZPRXKVSD-NSHDSACASA-N 1 0 268.382 2.869 20 5 CFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000882822261 645470523 /nfs/dbraw/zinc/47/05/23/645470523.db2.gz BAKAQSZUENSCPZ-ZDUSSCGKSA-N 1 0 298.346 2.705 20 5 CFBDRO CCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096971125 651008630 /nfs/dbraw/zinc/00/86/30/651008630.db2.gz CPZVTTLTUNKNHL-UHFFFAOYSA-N 1 0 277.368 2.907 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)CC(C)C ZINC000882915678 645509920 /nfs/dbraw/zinc/50/99/20/645509920.db2.gz XAFYARVLDAPGIF-ZDUSSCGKSA-N 1 0 280.368 2.708 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273279 645715241 /nfs/dbraw/zinc/71/52/41/645715241.db2.gz IBYWSOXCRHJLCF-NQBHXWOUSA-N 1 0 294.351 2.679 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883318937 645737593 /nfs/dbraw/zinc/73/75/93/645737593.db2.gz JFKIJYXJHIPOHN-UHIISALHSA-N 1 0 276.336 2.597 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000800156961 646160627 /nfs/dbraw/zinc/16/06/27/646160627.db2.gz KZMBDZOPALQZHG-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000134178745 646297069 /nfs/dbraw/zinc/29/70/69/646297069.db2.gz UIZJHOKPMRPPDI-OAHLLOKOSA-N 1 0 294.351 2.725 20 5 CFBDRO CC(C)[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757294 646382980 /nfs/dbraw/zinc/38/29/80/646382980.db2.gz YVKSTJQTTUCINE-FZMZJTMJSA-N 1 0 266.341 2.510 20 5 CFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC000884532318 646427033 /nfs/dbraw/zinc/42/70/33/646427033.db2.gz GZZBIGYVNQPYDF-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000885972653 646790074 /nfs/dbraw/zinc/79/00/74/646790074.db2.gz HPBAHWVKIWJOCX-AWEZNQCLSA-N 1 0 283.331 2.979 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000886021480 646824474 /nfs/dbraw/zinc/82/44/74/646824474.db2.gz XHWIYVDRCNDXQC-DGCLKSJQSA-N 1 0 261.325 2.754 20 5 CFBDRO Cc1n[nH]c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000886086069 646859411 /nfs/dbraw/zinc/85/94/11/646859411.db2.gz GXJHDWGAMHWUKL-UHFFFAOYSA-N 1 0 274.324 2.533 20 5 CFBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC(C)(C)C1 ZINC000886123254 646882167 /nfs/dbraw/zinc/88/21/67/646882167.db2.gz VLACGRHFTJDBAH-LLVKDONJSA-N 1 0 263.341 2.858 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886290838 646956365 /nfs/dbraw/zinc/95/63/65/646956365.db2.gz OYTJRKBRVFTOMP-CYBMUJFWSA-N 1 0 276.336 2.644 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886315445 646965826 /nfs/dbraw/zinc/96/58/26/646965826.db2.gz MQCZPMIVZITJOW-JMSVASOKSA-N 1 0 276.336 2.672 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886832286 647155721 /nfs/dbraw/zinc/15/57/21/647155721.db2.gz FOMZYJUCOQBLIP-NHYWBVRUSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886830737 647155964 /nfs/dbraw/zinc/15/59/64/647155964.db2.gz WSUFURWINQSCBF-IUODEOHRSA-N 1 0 294.326 2.735 20 5 CFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCCF)cccc1[N+](=O)[O-] ZINC000887140022 647228338 /nfs/dbraw/zinc/22/83/38/647228338.db2.gz NKYMBTQFMRLBOJ-LLVKDONJSA-N 1 0 297.330 2.522 20 5 CFBDRO COC1(OC)CC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000925490713 648182544 /nfs/dbraw/zinc/18/25/44/648182544.db2.gz CJEBJHMMQDBGGX-RISCZKNCSA-N 1 0 294.351 2.705 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000926797576 648620896 /nfs/dbraw/zinc/62/08/96/648620896.db2.gz UOKUXCKNWFYWHV-NSHDSACASA-N 1 0 272.308 2.544 20 5 CFBDRO CC[C@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000926833676 648631527 /nfs/dbraw/zinc/63/15/27/648631527.db2.gz AZJNOOLSQAHSSW-NTZNESFSSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000926893100 648648648 /nfs/dbraw/zinc/64/86/48/648648648.db2.gz PXACTRDBWWKXAM-NJBDSQKTSA-N 1 0 264.325 2.669 20 5 CFBDRO Cc1cc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000926913480 648654670 /nfs/dbraw/zinc/65/46/70/648654670.db2.gz DEKXMOGONQXTRC-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927022072 648686272 /nfs/dbraw/zinc/68/62/72/648686272.db2.gz QEPVULLHYJCUNH-NHYWBVRUSA-N 1 0 293.367 2.787 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927023510 648687289 /nfs/dbraw/zinc/68/72/89/648687289.db2.gz UIYKIDKDWAFGFR-MNOVXSKESA-N 1 0 284.331 2.936 20 5 CFBDRO CC(=O)NCCCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000930235860 649210899 /nfs/dbraw/zinc/21/08/99/649210899.db2.gz RGBLGUQTCYLZJA-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930449006 649249913 /nfs/dbraw/zinc/24/99/13/649249913.db2.gz KRRIBPUVKOOHAY-JSGCOSHPSA-N 1 0 278.352 2.745 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000035648933 649265536 /nfs/dbraw/zinc/26/55/36/649265536.db2.gz XHGIOABACVAGNX-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO C[NH+](C)C1(C)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931350984 649413452 /nfs/dbraw/zinc/41/34/52/649413452.db2.gz DETYLYMKCQCSDE-UHFFFAOYSA-N 1 0 291.395 2.553 20 5 CFBDRO Cc1c(CN2Cc3c[nH]nc3[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000931456547 649430952 /nfs/dbraw/zinc/43/09/52/649430952.db2.gz QXMBBJQZYKTWFT-SNVBAGLBSA-N 1 0 286.335 2.746 20 5 CFBDRO C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000932347101 649581078 /nfs/dbraw/zinc/58/10/78/649581078.db2.gz VEXQGGOJUAZYAI-SNVBAGLBSA-N 1 0 284.743 2.859 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000932886711 649657244 /nfs/dbraw/zinc/65/72/44/649657244.db2.gz GLYHUNUZDDDWBT-CHWSQXEVSA-N 1 0 291.351 2.902 20 5 CFBDRO C[C@@H]1CSCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000934301375 649770507 /nfs/dbraw/zinc/77/05/07/649770507.db2.gz FRHYEAYPYQNTDC-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC000934396685 649783653 /nfs/dbraw/zinc/78/36/53/649783653.db2.gz RWINISJALCPDDR-OAHLLOKOSA-N 1 0 290.363 2.829 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CSC ZINC000934669265 649813762 /nfs/dbraw/zinc/81/37/62/649813762.db2.gz HVJNRVHWLWTKRD-UHFFFAOYSA-N 1 0 284.381 2.835 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000934778958 649830169 /nfs/dbraw/zinc/83/01/69/649830169.db2.gz RXQGTZMAKZHTQZ-HIFRSBDPSA-N 1 0 292.404 2.822 20 5 CFBDRO CN(C)c1cc[nH+]cc1Nc1cccc([N+](=O)[O-])c1 ZINC001204415707 769845850 /nfs/dbraw/zinc/84/58/50/769845850.db2.gz MPJLBXYLOBLOKA-UHFFFAOYSA-N 1 0 258.281 2.799 20 5 CFBDRO CC[N@H+](CC[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC001167172503 770123339 /nfs/dbraw/zinc/12/33/39/770123339.db2.gz YYWVODAMNBFUIB-UHFFFAOYSA-N 1 0 258.321 2.938 20 5 CFBDRO CC(C)(C)C[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001167355817 770365811 /nfs/dbraw/zinc/36/58/11/770365811.db2.gz BGCODBVMTPFODL-UHFFFAOYSA-N 1 0 250.342 2.811 20 5 CFBDRO Cc1[nH+]cn(C)c1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211191299 770448441 /nfs/dbraw/zinc/44/84/41/770448441.db2.gz RQPXLKCUIGRJQA-UHFFFAOYSA-N 1 0 250.233 2.519 20 5 CFBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000723949041 770718226 /nfs/dbraw/zinc/71/82/26/770718226.db2.gz DFXGZJBOALXVRO-NWDGAFQWSA-N 1 0 284.381 2.951 20 5 CFBDRO [NH3+]Cc1cccn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001167585696 770941467 /nfs/dbraw/zinc/94/14/67/770941467.db2.gz FKDLEIVLHZGHLX-UHFFFAOYSA-N 1 0 286.266 2.532 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1SCCS1 ZINC000693775560 773248202 /nfs/dbraw/zinc/24/82/02/773248202.db2.gz GFXPPSBKMVLSTL-UHFFFAOYSA-N 1 0 284.406 2.881 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OCCOc1ccc2c(c1)CCC2 ZINC001224305966 775150956 /nfs/dbraw/zinc/15/09/56/775150956.db2.gz ZMYVGOHAVBLOJQ-CQSZACIVSA-N 1 0 278.416 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCCC[NH+]1CCCC1)C2 ZINC001224749211 775265137 /nfs/dbraw/zinc/26/51/37/775265137.db2.gz ZNEWZTBJQTWUCY-INIZCTEOSA-N 1 0 290.363 2.565 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCC2)cc1 ZINC000725077556 775268122 /nfs/dbraw/zinc/26/81/22/775268122.db2.gz PILDCMJAKVIUPT-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@@H](OCC[N+](C)(C)C)c1cccc(N(C)C)c1 ZINC001224772633 775270142 /nfs/dbraw/zinc/27/01/42/775270142.db2.gz BJBPIEJPNIJYNG-CYBMUJFWSA-N 1 0 251.394 2.536 20 5 CFBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]CCC[C@H]2F)c1Cl ZINC001217970868 775408201 /nfs/dbraw/zinc/40/82/01/775408201.db2.gz COZRKBIUFDPHAB-KCJUWKMLSA-N 1 0 288.706 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217971474 775408968 /nfs/dbraw/zinc/40/89/68/775408968.db2.gz IHVHHUMQDLZZNF-JOYOIKCWSA-N 1 0 288.706 2.717 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cn1 ZINC001225327040 775412051 /nfs/dbraw/zinc/41/20/51/775412051.db2.gz AIAVBBAHEKEPHJ-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217975570 775413638 /nfs/dbraw/zinc/41/36/38/775413638.db2.gz IVHHBAQGMLAYAU-ZYHUDNBSSA-N 1 0 288.706 2.717 20 5 CFBDRO Cc1cccc(O[C@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001225630986 775533153 /nfs/dbraw/zinc/53/31/53/775533153.db2.gz BUQZBVVKXGCLTF-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1cccc(OC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001225633526 775533242 /nfs/dbraw/zinc/53/32/42/775533242.db2.gz SXBOESLMPLXOAG-UHFFFAOYSA-N 1 0 276.336 2.909 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225785401 775591879 /nfs/dbraw/zinc/59/18/79/775591879.db2.gz BASVYQNNUYTRHU-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793752 775594698 /nfs/dbraw/zinc/59/46/98/775594698.db2.gz DUQGLNZIUVDNRA-SNVBAGLBSA-N 1 0 268.288 2.595 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795777 775596025 /nfs/dbraw/zinc/59/60/25/775596025.db2.gz HRGQAPRXXWLRDU-NSHDSACASA-N 1 0 282.315 2.986 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001225804409 775598792 /nfs/dbraw/zinc/59/87/92/775598792.db2.gz SHTMUMLPKZWPBZ-ZDUSSCGKSA-N 1 0 292.335 2.661 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(C(C)=O)ccc2[N+](=O)[O-])CC1 ZINC001225804164 775598954 /nfs/dbraw/zinc/59/89/54/775598954.db2.gz OTXRPIUZZVEWFK-UHFFFAOYSA-N 1 0 292.335 2.661 20 5 CFBDRO CC(=O)c1cc(F)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225837843 775609977 /nfs/dbraw/zinc/60/99/77/775609977.db2.gz RCESJHLMYYNUSX-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)c(F)cc(F)c1F ZINC001225882871 775622843 /nfs/dbraw/zinc/62/28/43/775622843.db2.gz WVGDMGDLMPXLKG-ZETCQYMHSA-N 1 0 266.258 2.717 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225904388 775629747 /nfs/dbraw/zinc/62/97/47/775629747.db2.gz CLPIOKVUCCZEKT-LLVKDONJSA-N 1 0 268.288 2.595 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225906760 775631037 /nfs/dbraw/zinc/63/10/37/775631037.db2.gz DWGXWZVHRPKBIN-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)ccn1 ZINC001226002919 775664279 /nfs/dbraw/zinc/66/42/79/775664279.db2.gz XIXWSZSHUCLMJE-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001226130748 775710238 /nfs/dbraw/zinc/71/02/38/775710238.db2.gz UDNXFBXDCFDPOS-URLYPYJESA-N 1 0 297.742 2.647 20 5 CFBDRO Cc1ccc2oc(=O)cc(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001226159089 775720727 /nfs/dbraw/zinc/72/07/27/775720727.db2.gz ZQCYPHLKQPTPMD-GFCCVEGCSA-N 1 0 276.356 2.575 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257471 775758593 /nfs/dbraw/zinc/75/85/93/775758593.db2.gz FLUNNTMOQRITJD-SNVBAGLBSA-N 1 0 285.731 2.506 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001226288796 775768700 /nfs/dbraw/zinc/76/87/00/775768700.db2.gz RXFVAYBWQMFXNU-LLVKDONJSA-N 1 0 294.351 2.907 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(Cl)ccc1[N+](=O)[O-])C2 ZINC001226365693 775792570 /nfs/dbraw/zinc/79/25/70/775792570.db2.gz FGTIFSQZSKAKBP-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(OC)ccc1[N+](=O)[O-] ZINC001226443360 775824712 /nfs/dbraw/zinc/82/47/12/775824712.db2.gz SOEFPZNXTHYANX-NSHDSACASA-N 1 0 282.340 2.713 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc([N+](=O)[O-])c1 ZINC001226763720 775952448 /nfs/dbraw/zinc/95/24/48/775952448.db2.gz AETVTPXJGIUFNP-JYAVWHMHSA-N 1 0 276.336 2.704 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001226969697 776038336 /nfs/dbraw/zinc/03/83/36/776038336.db2.gz SURWPUVUDQSDPC-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129334 776108346 /nfs/dbraw/zinc/10/83/46/776108346.db2.gz KDRVFLFECNOTOZ-ZETCQYMHSA-N 1 0 291.134 2.985 20 5 CFBDRO CCCc1c(O)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001227148703 776115799 /nfs/dbraw/zinc/11/57/99/776115799.db2.gz WFGQGTWCFZVYCJ-LBPRGKRZSA-O 1 0 252.378 2.818 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227211406 776138858 /nfs/dbraw/zinc/13/88/58/776138858.db2.gz PCRZODHQKKRHDF-LBPRGKRZSA-N 1 0 272.304 2.831 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2o1 ZINC001227234300 776149984 /nfs/dbraw/zinc/14/99/84/776149984.db2.gz NGDGVQLZKMRGSS-JTQLQIEISA-N 1 0 293.323 2.845 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2ccc(Cl)cc21 ZINC001227966536 776344208 /nfs/dbraw/zinc/34/42/08/776344208.db2.gz YDVOYOQFGOAAFC-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO Cc1cc(Br)cc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228059582 776381831 /nfs/dbraw/zinc/38/18/31/776381831.db2.gz VVRZQUQFFVSZOZ-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO Cc1cnc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001228171770 776416137 /nfs/dbraw/zinc/41/61/37/776416137.db2.gz NEYLNQKDIRVWIQ-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO Cc1c(COC2C[NH+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001223333617 776585503 /nfs/dbraw/zinc/58/55/03/776585503.db2.gz ZGHYHCWJWHMSRA-UHFFFAOYSA-N 1 0 278.352 2.903 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228933597 776662031 /nfs/dbraw/zinc/66/20/31/776662031.db2.gz HZAREHFEMRUWNC-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C(C)=O)cccc1[N+](=O)[O-] ZINC001228970075 776672097 /nfs/dbraw/zinc/67/20/97/776672097.db2.gz FIHDHMRKLDYIFW-LLVKDONJSA-N 1 0 294.351 2.907 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229005226 776685555 /nfs/dbraw/zinc/68/55/55/776685555.db2.gz FQSPBPVJBFEPJJ-CYBMUJFWSA-N 1 0 287.319 2.616 20 5 CFBDRO CC(C)N1CC(Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229005518 776686289 /nfs/dbraw/zinc/68/62/89/776686289.db2.gz KJSKTYSLQXJPMF-UHFFFAOYSA-N 1 0 287.319 2.614 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115767 776723882 /nfs/dbraw/zinc/72/38/82/776723882.db2.gz RNMMMFXUSJLWRW-VSGCLNPGSA-N 1 0 276.336 2.796 20 5 CFBDRO CCN1CCC[C@H](Oc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229137345 776730883 /nfs/dbraw/zinc/73/08/83/776730883.db2.gz GBGZGVUWPLXAAV-LBPRGKRZSA-N 1 0 292.335 2.661 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2n[nH]cc2c1Cl ZINC001229179326 776745405 /nfs/dbraw/zinc/74/54/05/776745405.db2.gz HQAWXNCHVDZXHD-VIFPVBQESA-N 1 0 268.768 2.690 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001229198791 776750169 /nfs/dbraw/zinc/75/01/69/776750169.db2.gz QEXSYHJUMFNOAZ-NSHDSACASA-N 1 0 268.288 2.515 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2c(C)cc(F)cc2[N+](=O)[O-])C1 ZINC001229202157 776750523 /nfs/dbraw/zinc/75/05/23/776750523.db2.gz WGGNQIXZOHBZNC-LBPRGKRZSA-N 1 0 282.315 2.905 20 5 CFBDRO Cc1ccnc(Br)c1O[C@@H](C)C[N+](C)(C)C ZINC001229208899 776752688 /nfs/dbraw/zinc/75/26/88/776752688.db2.gz XUUYXPRDPPQEKP-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO Cc1cc(O)c(OC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001229750198 776887988 /nfs/dbraw/zinc/88/79/88/776887988.db2.gz LDVQVZZLDGAILN-UHFFFAOYSA-N 1 0 294.351 2.860 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1N(C)C ZINC001229846829 776902484 /nfs/dbraw/zinc/90/24/84/776902484.db2.gz YENGAPSUWCXTSZ-NSHDSACASA-N 1 0 271.812 2.880 20 5 CFBDRO Cc1ccc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001230143278 776955638 /nfs/dbraw/zinc/95/56/38/776955638.db2.gz ITVXGHVORXZJBX-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2scnc2c1 ZINC001230232297 776962765 /nfs/dbraw/zinc/96/27/65/776962765.db2.gz GUJRYUZULCRXTH-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO CCOC(=O)/C=C/c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001230403230 776990812 /nfs/dbraw/zinc/99/08/12/776990812.db2.gz ZTKRLONAGAFMOG-BRADTZPFSA-N 1 0 292.399 2.736 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc(-c2ccccc2)n1 ZINC001230549888 777010066 /nfs/dbraw/zinc/01/00/66/777010066.db2.gz SRRNJNLQGYEYLB-ZDUSSCGKSA-N 1 0 272.372 2.617 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230595922 777021681 /nfs/dbraw/zinc/02/16/81/777021681.db2.gz ODGIKDMKDJHTEV-JTQLQIEISA-N 1 0 292.339 2.580 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H](C)C[NH+](C)C ZINC001230724750 777051319 /nfs/dbraw/zinc/05/13/19/777051319.db2.gz ZACWCKBJIYGXGX-NSHDSACASA-N 1 0 252.314 2.541 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCCC2=O ZINC001225640181 777116853 /nfs/dbraw/zinc/11/68/53/777116853.db2.gz ZZVQFZWEEMTIPX-LBPRGKRZSA-N 1 0 262.373 2.679 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ncc[nH]2)cc1 ZINC001231081848 777135517 /nfs/dbraw/zinc/13/55/17/777135517.db2.gz ONOXIEOFSPEGEM-GFCCVEGCSA-N 1 0 260.361 2.550 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2cncn2C)cc1 ZINC001231083046 777137063 /nfs/dbraw/zinc/13/70/63/777137063.db2.gz BCBCXHTZXUOYNY-ZDUSSCGKSA-N 1 0 274.388 2.561 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(Cl)ncnc2c1 ZINC001231117013 777145540 /nfs/dbraw/zinc/14/55/40/777145540.db2.gz XJDCIADVAOWXSM-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2cc(F)ccc2c1 ZINC001231135305 777153097 /nfs/dbraw/zinc/15/30/97/777153097.db2.gz VHYHBFGATVVGBV-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1ccc2nc3ccc(=O)cc-3oc2c1 ZINC001231333045 777193770 /nfs/dbraw/zinc/19/37/70/777193770.db2.gz VQSMFDWRSYWIEO-LLVKDONJSA-N 1 0 298.342 2.622 20 5 CFBDRO COC(=O)c1ccc2occc2c1O[C@H](C)C[N+](C)(C)C ZINC001231383825 777206926 /nfs/dbraw/zinc/20/69/26/777206926.db2.gz DSFALODEDVAPFL-LLVKDONJSA-N 1 0 292.355 2.693 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(C(F)(F)F)n1 ZINC001225706107 777209889 /nfs/dbraw/zinc/20/98/89/777209889.db2.gz UEIDNMZNJRVVJM-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225904466 777330263 /nfs/dbraw/zinc/33/02/63/777330263.db2.gz DMHVVTYZLQWHQM-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO COCC1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218228 777478974 /nfs/dbraw/zinc/47/89/74/777478974.db2.gz DFVHHLRZULWKDP-UHFFFAOYSA-N 1 0 293.370 2.861 20 5 CFBDRO C[C@@]1(O)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219677 777479124 /nfs/dbraw/zinc/47/91/24/777479124.db2.gz YFIUIZTWCQLZBD-GOSISDBHSA-N 1 0 293.370 2.740 20 5 CFBDRO OC[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221921 777481040 /nfs/dbraw/zinc/48/10/40/777481040.db2.gz MOGLDMKTFPHRIK-CYBMUJFWSA-N 1 0 293.370 2.597 20 5 CFBDRO CC(=O)c1cc(O[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001233501436 777971317 /nfs/dbraw/zinc/97/13/17/777971317.db2.gz MRIKWGLYYIKPFE-ZDUSSCGKSA-N 1 0 292.335 2.659 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCCC[NH2+]C1 ZINC000697073855 778041170 /nfs/dbraw/zinc/04/11/70/778041170.db2.gz GEAPGVHWOZXQFT-GFCCVEGCSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233712835 778052113 /nfs/dbraw/zinc/05/21/13/778052113.db2.gz MZDDZTJGKKEPFO-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO O=[N+]([O-])c1cccc2ccc(O[C@@H]3C[NH+]4CCC3CC4)nc21 ZINC001233835639 778090136 /nfs/dbraw/zinc/09/01/36/778090136.db2.gz ASIHGTCKYMSTFW-CQSZACIVSA-N 1 0 299.330 2.616 20 5 CFBDRO O=[N+]([O-])c1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001233854340 778095966 /nfs/dbraw/zinc/09/59/66/778095966.db2.gz CODKUDWTPFIBED-HNNXBMFYSA-N 1 0 299.330 2.643 20 5 CFBDRO COc1ccc(N=O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234017469 778143655 /nfs/dbraw/zinc/14/36/55/778143655.db2.gz NRQJSQMRSNBALM-JTQLQIEISA-N 1 0 253.322 2.567 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1Cl ZINC001228546842 778151118 /nfs/dbraw/zinc/15/11/18/778151118.db2.gz CLVYGDRXLMUZPF-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228755623 778193563 /nfs/dbraw/zinc/19/35/63/778193563.db2.gz KKZVIOGSMOKQMU-JTQLQIEISA-N 1 0 270.716 2.721 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cc(Cl)cc1F ZINC001234443886 778227096 /nfs/dbraw/zinc/22/70/96/778227096.db2.gz LAUGMHFWUZOBEW-MRVPVSSYSA-O 1 0 262.732 2.658 20 5 CFBDRO COc1c(Cl)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001234643361 778273991 /nfs/dbraw/zinc/27/39/91/778273991.db2.gz SYDUZTRGHPJOIS-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)cc(F)cc2[N+](=O)[O-])C1 ZINC001229198660 778282030 /nfs/dbraw/zinc/28/20/30/778282030.db2.gz NVQNVIONFXYAFL-LLVKDONJSA-N 1 0 268.288 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2O[C@@H]1C[NH+]2CCC1CC2 ZINC001234675346 778286457 /nfs/dbraw/zinc/28/64/57/778286457.db2.gz ZQEVBMAKQGESBX-OAHLLOKOSA-N 1 0 299.330 2.616 20 5 CFBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234872626 778318514 /nfs/dbraw/zinc/31/85/14/778318514.db2.gz YSDGIPFYDRHFFF-CYBMUJFWSA-N 1 0 278.352 2.993 20 5 CFBDRO C[C@@H](O[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019826 778396490 /nfs/dbraw/zinc/39/64/90/778396490.db2.gz MVJPJQKTRPSABN-BXUZGUMPSA-N 1 0 264.325 2.767 20 5 CFBDRO COC(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000160227292 778596845 /nfs/dbraw/zinc/59/68/45/778596845.db2.gz LDKDJNFKEVYCTJ-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO COc1ccc([C@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224620793 778602929 /nfs/dbraw/zinc/60/29/29/778602929.db2.gz BTYFKEZTUVUJTB-ZDUSSCGKSA-N 1 0 252.378 2.869 20 5 CFBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)C1CCOCC1 ZINC001224772782 778678526 /nfs/dbraw/zinc/67/85/26/778678526.db2.gz CINAFXJOOWJOSQ-KRWDZBQOSA-N 1 0 278.416 2.877 20 5 CFBDRO CC(C)Oc1ncc(Cl)cc1O[C@H](C)C[N+](C)(C)C ZINC001234311179 779207049 /nfs/dbraw/zinc/20/70/49/779207049.db2.gz IHZAFYKVNCHFEY-LLVKDONJSA-N 1 0 287.811 2.996 20 5 CFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001168601970 780032085 /nfs/dbraw/zinc/03/20/85/780032085.db2.gz YRBIQIXHKIWDOI-UWVGGRQHSA-N 1 0 298.774 2.928 20 5 CFBDRO O=[N+]([O-])c1cc2c(cc1NC(C1CC1)C1CC1)C[NH2+]C2 ZINC001168743963 780601816 /nfs/dbraw/zinc/60/18/16/780601816.db2.gz JAMADBKMVWDWOU-UHFFFAOYSA-N 1 0 273.336 2.799 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000701051559 780751900 /nfs/dbraw/zinc/75/19/00/780751900.db2.gz ZTQXDKCPROEPEI-LFNDISMMSA-N 1 0 282.315 2.635 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000701095115 780758104 /nfs/dbraw/zinc/75/81/04/780758104.db2.gz UQDOJZRRRIFKIB-TZMCWYRMSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922892404 780775603 /nfs/dbraw/zinc/77/56/03/780775603.db2.gz OSAZZYFRVIQXCY-HOCLYGCPSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2SCCS2)c1 ZINC000703411182 781012723 /nfs/dbraw/zinc/01/27/23/781012723.db2.gz HYTRRYJZVYZLPF-UHFFFAOYSA-N 1 0 284.406 2.881 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCSC2)c(F)c1 ZINC000704872379 781125284 /nfs/dbraw/zinc/12/52/84/781125284.db2.gz UCOZYNDNVDMXLT-JTQLQIEISA-N 1 0 284.356 2.967 20 5 CFBDRO CCOc1cc([N+](=O)[O-])ccc1N(CCC[NH3+])C(C)C ZINC001164122500 781671340 /nfs/dbraw/zinc/67/13/40/781671340.db2.gz GDNJTTDTGABCFH-UHFFFAOYSA-N 1 0 281.356 2.557 20 5 CFBDRO C[NH2+]Cc1cccc(Nc2nccc(C)c2[N+](=O)[O-])c1 ZINC001167033332 781830226 /nfs/dbraw/zinc/83/02/26/781830226.db2.gz VPBQVEYLNZFGJX-UHFFFAOYSA-N 1 0 272.308 2.761 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594507402 349433788 /nfs/dbraw/zinc/43/37/88/349433788.db2.gz LVMBOYLATQNGTB-SLEUVZQESA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594517787 349439302 /nfs/dbraw/zinc/43/93/02/349439302.db2.gz MKDHGERRYULZNA-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594546602 349444894 /nfs/dbraw/zinc/44/48/94/349444894.db2.gz UKKIJWWIPMZAIP-VXGBXAGGSA-N 1 0 291.351 2.642 20 5 CFBDRO C[NH+](C)CCCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000270964399 282083603 /nfs/dbraw/zinc/08/36/03/282083603.db2.gz OMLXLAZJWVSBCL-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO Cc1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599254 349456843 /nfs/dbraw/zinc/45/68/43/349456843.db2.gz INKCVVJLBUVZED-QWHCGFSZSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000594721191 349480178 /nfs/dbraw/zinc/48/01/78/349480178.db2.gz MLVMNILAUZRSKH-SKDRFNHKSA-N 1 0 286.278 2.670 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000594733093 349483259 /nfs/dbraw/zinc/48/32/59/349483259.db2.gz XJEGYCWCEMBQRK-VXGBXAGGSA-N 1 0 276.336 2.957 20 5 CFBDRO CC[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594931226 349514949 /nfs/dbraw/zinc/51/49/49/349514949.db2.gz LXJYVHMGHHUUAZ-STQMWFEESA-N 1 0 280.372 2.740 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CO1 ZINC000594937822 349519411 /nfs/dbraw/zinc/51/94/11/349519411.db2.gz JAPFPQLWIRBEOK-QWHCGFSZSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000273050375 192030306 /nfs/dbraw/zinc/03/03/06/192030306.db2.gz KGRJPVBFPTZXIG-HUUCEWRRSA-N 1 0 294.326 2.781 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000594961074 349531563 /nfs/dbraw/zinc/53/15/63/349531563.db2.gz DTXYKAGEGBFBQB-LBPRGKRZSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H](NCc1csc([N+](=O)[O-])c1)c1cscn1 ZINC000594965375 349533513 /nfs/dbraw/zinc/53/35/13/349533513.db2.gz FZYAXTWITIKZPU-ZETCQYMHSA-N 1 0 269.351 2.964 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)NCc1ccccc1[N+](=O)[O-] ZINC000594980764 349538189 /nfs/dbraw/zinc/53/81/89/349538189.db2.gz RQCBUKLWPCFTNF-CQSZACIVSA-N 1 0 291.395 2.805 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000594984177 349538952 /nfs/dbraw/zinc/53/89/52/349538952.db2.gz HWDHDVUFYDFIRA-QHBPRCKVSA-N 1 0 292.335 2.500 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000594984941 349538981 /nfs/dbraw/zinc/53/89/81/349538981.db2.gz RNRLMJVEFHEKKU-AGGWBTHJSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000594985688 349539169 /nfs/dbraw/zinc/53/91/69/349539169.db2.gz NBFOIERDXQBFIQ-LLVKDONJSA-N 1 0 256.252 2.730 20 5 CFBDRO COc1ccc(C[NH2+][C@@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000594994038 349541095 /nfs/dbraw/zinc/54/10/95/349541095.db2.gz BOSRSZOPVBAXME-AWEZNQCLSA-N 1 0 264.325 2.882 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010345 349547945 /nfs/dbraw/zinc/54/79/45/349547945.db2.gz VZLDBVLJVOZIEH-WDEREUQCSA-N 1 0 282.340 2.537 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000595011399 349548007 /nfs/dbraw/zinc/54/80/07/349548007.db2.gz HIUDPDBOSDYJFB-LLVKDONJSA-N 1 0 289.335 2.793 20 5 CFBDRO C[C@H](CSCCF)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000595012082 349549104 /nfs/dbraw/zinc/54/91/04/349549104.db2.gz BDOMRFIKRUAXKG-SNVBAGLBSA-N 1 0 272.345 2.776 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)OC ZINC000595013206 349549210 /nfs/dbraw/zinc/54/92/10/349549210.db2.gz FZQSQBSVBCTMGY-SNVBAGLBSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000595020047 349551984 /nfs/dbraw/zinc/55/19/84/349551984.db2.gz SJHRDRWQUSPCHM-ABAIWWIYSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@H](C)CO ZINC000595035018 349558452 /nfs/dbraw/zinc/55/84/52/349558452.db2.gz GCANLXZIFADQND-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024680 349554151 /nfs/dbraw/zinc/55/41/51/349554151.db2.gz CJBFCONBQOKUMW-AAEUAGOBSA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273084442 192038807 /nfs/dbraw/zinc/03/88/07/192038807.db2.gz RLCBDWWJCNNXCU-HOTGVXAUSA-N 1 0 290.363 2.685 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000595029311 349556414 /nfs/dbraw/zinc/55/64/14/349556414.db2.gz WMZQQNIPWSWQAL-RISCZKNCSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000595032053 349557407 /nfs/dbraw/zinc/55/74/07/349557407.db2.gz GKFREYOIINKKEN-SWHYSGLUSA-N 1 0 294.351 2.558 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594995193 349542104 /nfs/dbraw/zinc/54/21/04/349542104.db2.gz LFQGDOHITQKDCB-CYBMUJFWSA-N 1 0 278.352 2.808 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1=CCCOC1 ZINC000595049351 349563849 /nfs/dbraw/zinc/56/38/49/349563849.db2.gz IEHKGIYXXMVXBG-LLVKDONJSA-N 1 0 292.335 2.601 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCC1 ZINC000595056181 349567255 /nfs/dbraw/zinc/56/72/55/349567255.db2.gz CDVPHOBDPUDLCD-DOMZBBRYSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056912 349568694 /nfs/dbraw/zinc/56/86/94/349568694.db2.gz SMQPUEGOYPLVFW-LSDHHAIUSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1(CO)CC1 ZINC000595066251 349572369 /nfs/dbraw/zinc/57/23/69/349572369.db2.gz HBZRMHGCXLYWDA-CHWSQXEVSA-N 1 0 292.379 2.667 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000595037500 349559239 /nfs/dbraw/zinc/55/92/39/349559239.db2.gz GQRYVTPGHPKBQY-GMTAPVOTSA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](OC)C1CC1 ZINC000595038831 349560104 /nfs/dbraw/zinc/56/01/04/349560104.db2.gz PAMIDYRFJXGPPR-BONVTDFDSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000595039756 349560126 /nfs/dbraw/zinc/56/01/26/349560126.db2.gz CERRCQRAIWGFNG-GHMZBOCLSA-N 1 0 296.367 2.804 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)(C)O ZINC000595038426 349560133 /nfs/dbraw/zinc/56/01/33/349560133.db2.gz NUFGPXGESPHYCE-HZMBPMFUSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595088878 349577197 /nfs/dbraw/zinc/57/71/97/349577197.db2.gz FNAUQILPNBTGIK-TUKIKUTGSA-N 1 0 290.363 2.857 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595092686 349579091 /nfs/dbraw/zinc/57/90/91/349579091.db2.gz ZBFHEEXJWGKIMF-GDLCADMTSA-N 1 0 276.336 2.549 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067948940 346829111 /nfs/dbraw/zinc/82/91/11/346829111.db2.gz XJJUSRQBQKGSTG-ZDUSSCGKSA-N 1 0 291.351 2.694 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595104999 349582957 /nfs/dbraw/zinc/58/29/57/349582957.db2.gz CTEPWUMDHXHEPU-GDLCADMTSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2C[C@H](O)C2)c2ccccc2)c1 ZINC000595105773 349583331 /nfs/dbraw/zinc/58/33/31/349583331.db2.gz YMYBNXQXRHZBRD-DJIMGWMZSA-N 1 0 298.342 2.797 20 5 CFBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595315129 349600243 /nfs/dbraw/zinc/60/02/43/349600243.db2.gz XUTXHBGZMMOJCA-UHFFFAOYSA-N 1 0 284.331 2.574 20 5 CFBDRO Cc1noc(C[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595313025 349600529 /nfs/dbraw/zinc/60/05/29/349600529.db2.gz QYHZWDQYEJBVSI-RKDXNWHRSA-N 1 0 253.302 2.654 20 5 CFBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000595331266 349603342 /nfs/dbraw/zinc/60/33/42/349603342.db2.gz OOJXVAHCHIBIEC-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO CO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595288303 349591039 /nfs/dbraw/zinc/59/10/39/349591039.db2.gz NKCDJOCIYKCAON-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO CC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595290784 349591811 /nfs/dbraw/zinc/59/18/11/349591811.db2.gz YXDBKFXBLPSOIH-JTQLQIEISA-N 1 0 253.302 2.513 20 5 CFBDRO CC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595290785 349592493 /nfs/dbraw/zinc/59/24/93/349592493.db2.gz YXDBKFXBLPSOIH-SNVBAGLBSA-N 1 0 253.302 2.513 20 5 CFBDRO CC[C@H](C)C[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595343787 349606042 /nfs/dbraw/zinc/60/60/42/349606042.db2.gz DWIPABPWLWFWKI-VIFPVBQESA-N 1 0 255.318 2.759 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000595338155 349605115 /nfs/dbraw/zinc/60/51/15/349605115.db2.gz GENXUGZGYNVSIT-PHIMTYICSA-N 1 0 264.300 2.966 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595396642 349616361 /nfs/dbraw/zinc/61/63/61/349616361.db2.gz NQXJFIQSKBFVDP-ZJUUUORDSA-N 1 0 267.329 2.759 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595403790 349617269 /nfs/dbraw/zinc/61/72/69/349617269.db2.gz IJEUAHROGLFCOF-NWDGAFQWSA-N 1 0 295.358 2.648 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595424131 349621401 /nfs/dbraw/zinc/62/14/01/349621401.db2.gz FPSRMTBWDYCLIJ-WCQGTBRESA-N 1 0 279.340 2.902 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC1CCC1)CC2 ZINC000595425951 349621443 /nfs/dbraw/zinc/62/14/43/349621443.db2.gz WGJGGGNFBKVQPM-UHFFFAOYSA-N 1 0 261.325 2.538 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595432563 349624336 /nfs/dbraw/zinc/62/43/36/349624336.db2.gz SBXCVWXYRWERFC-WCBMZHEXSA-N 1 0 253.302 2.560 20 5 CFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000269636646 190525415 /nfs/dbraw/zinc/52/54/15/190525415.db2.gz HOPQGRWBFQPSRZ-WFASDCNBSA-N 1 0 280.368 2.995 20 5 CFBDRO Cc1noc(C[N@H+]2CCCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595440248 349626705 /nfs/dbraw/zinc/62/67/05/349626705.db2.gz OJAGJGHKLDKQOM-VIFPVBQESA-N 1 0 253.302 2.513 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447351 349628691 /nfs/dbraw/zinc/62/86/91/349628691.db2.gz CINQYVONBZFKPQ-XHDPSFHLSA-N 1 0 296.342 2.717 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595460194 349633850 /nfs/dbraw/zinc/63/38/50/349633850.db2.gz VAGBPIYKWYLJLV-AWEZNQCLSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1nc(CNC(C)(C)c2ccccc2[N+](=O)[O-])co1 ZINC000595512841 349647754 /nfs/dbraw/zinc/64/77/54/349647754.db2.gz WEZJLSMGMOBHCR-UHFFFAOYSA-N 1 0 275.308 2.916 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595522543 349650086 /nfs/dbraw/zinc/65/00/86/349650086.db2.gz MBBHWFMSOXRVEO-UHFFFAOYSA-N 1 0 295.358 2.698 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(CCO)CCCC1 ZINC000595507835 349645797 /nfs/dbraw/zinc/64/57/97/349645797.db2.gz AFYBGXSTXQAVPQ-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2(CO)CCC2)c(F)c1 ZINC000595533569 349651824 /nfs/dbraw/zinc/65/18/24/349651824.db2.gz LQWPYRPYECFPPC-UHFFFAOYSA-N 1 0 294.326 2.613 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000595544247 349655874 /nfs/dbraw/zinc/65/58/74/349655874.db2.gz NOALVKSEASXNMM-JTQLQIEISA-N 1 0 282.315 2.781 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC23CCCCC3)n1 ZINC000595603279 349671487 /nfs/dbraw/zinc/67/14/87/349671487.db2.gz GWLPPMKQMOMYNT-ZDUSSCGKSA-N 1 0 292.383 2.884 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CCCC3)CC2)n1 ZINC000595643196 349687670 /nfs/dbraw/zinc/68/76/70/349687670.db2.gz VHRAPGZILAXTFZ-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO Cc1c(C[N@H+]2CCCC[C@H]2[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678657 349698367 /nfs/dbraw/zinc/69/83/67/349698367.db2.gz SIQLMVYWDGHIBV-DOMZBBRYSA-N 1 0 292.379 2.886 20 5 CFBDRO CC(C)n1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000069988600 346904670 /nfs/dbraw/zinc/90/46/70/346904670.db2.gz OMLVPWAVKGVGTI-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595672277 349695497 /nfs/dbraw/zinc/69/54/97/349695497.db2.gz XYFYBPCIWJFJAQ-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000126009450 187210956 /nfs/dbraw/zinc/21/09/56/187210956.db2.gz PUOMAIGVDOBXJS-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595755861 349725231 /nfs/dbraw/zinc/72/52/31/349725231.db2.gz DWYJOWYQYNRDQF-JMSVASOKSA-N 1 0 276.336 2.624 20 5 CFBDRO CCC1(CC)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595752419 349723934 /nfs/dbraw/zinc/72/39/34/349723934.db2.gz LYDUDCGOLLPBBV-UHFFFAOYSA-N 1 0 280.372 2.694 20 5 CFBDRO Cc1c(C[N@H+](C)CC2=CCCOC2)cccc1[N+](=O)[O-] ZINC000595752525 349724390 /nfs/dbraw/zinc/72/43/90/349724390.db2.gz MKLUXKQXUJEPHD-UHFFFAOYSA-N 1 0 276.336 2.682 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595830784 349744752 /nfs/dbraw/zinc/74/47/52/349744752.db2.gz LVMOYXGGCMCEKV-IHRRRGAJSA-N 1 0 290.363 2.933 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781924 349731754 /nfs/dbraw/zinc/73/17/54/349731754.db2.gz WFXXYELAINHPIE-NEPJUHHUSA-N 1 0 294.351 2.603 20 5 CFBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595904019 349765242 /nfs/dbraw/zinc/76/52/42/349765242.db2.gz MVMVLANPJGJVOA-OAHLLOKOSA-N 1 0 297.358 2.875 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC(C)(C)[NH3+] ZINC000595900851 349765295 /nfs/dbraw/zinc/76/52/95/349765295.db2.gz NMTRBKRDVUGWMP-LLVKDONJSA-N 1 0 265.357 2.633 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595868323 349758032 /nfs/dbraw/zinc/75/80/32/349758032.db2.gz AVVLSAJVEJVFEX-YWPYICTPSA-N 1 0 278.352 2.606 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2CC1(C)C2 ZINC000595920254 349770245 /nfs/dbraw/zinc/77/02/45/349770245.db2.gz PEDWQLAWWBNYAV-UHFFFAOYSA-N 1 0 262.309 2.588 20 5 CFBDRO COc1cc(NC[C@H](C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596074586 349787920 /nfs/dbraw/zinc/78/79/20/349787920.db2.gz HWJDZGXSMPBYKM-QMMMGPOBSA-N 1 0 287.747 2.619 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596090338 349792084 /nfs/dbraw/zinc/79/20/84/349792084.db2.gz BYWUIKBHFIJCIG-LLVKDONJSA-N 1 0 298.346 2.792 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000127862568 187337467 /nfs/dbraw/zinc/33/74/67/187337467.db2.gz JVFIARYUCYPPSZ-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])s1 ZINC000596144165 349807309 /nfs/dbraw/zinc/80/73/09/349807309.db2.gz BCRSHACLDRSOMF-MNOVXSKESA-N 1 0 281.381 2.638 20 5 CFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697719 346936819 /nfs/dbraw/zinc/93/68/19/346936819.db2.gz AFWKYNZOQIKRMK-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CF)CC2)cc1 ZINC000295025566 199306534 /nfs/dbraw/zinc/30/65/34/199306534.db2.gz LAIBXYIXZADPGQ-UHFFFAOYSA-N 1 0 252.289 2.776 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](SC)C1 ZINC000295036440 199313368 /nfs/dbraw/zinc/31/33/68/199313368.db2.gz MEFVJOZINHEFAU-CYBMUJFWSA-N 1 0 296.392 2.931 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)C(C)C ZINC000072924474 346949074 /nfs/dbraw/zinc/94/90/74/346949074.db2.gz MOMNXLDNHVWTMI-OAHLLOKOSA-N 1 0 296.367 2.754 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596243921 349837824 /nfs/dbraw/zinc/83/78/24/349837824.db2.gz MNQPNIGRHRZVPT-CMPLNLGQSA-N 1 0 281.331 2.571 20 5 CFBDRO Cc1ccnc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596309337 349859419 /nfs/dbraw/zinc/85/94/19/349859419.db2.gz YZRLAXLZCMMVMK-GFCCVEGCSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cnc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337421 349869253 /nfs/dbraw/zinc/86/92/53/349869253.db2.gz WXGJPFRYYWPTRF-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000128138525 187353806 /nfs/dbraw/zinc/35/38/06/187353806.db2.gz LNRSSKPRJCWNSB-HUUCEWRRSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000596425703 349899053 /nfs/dbraw/zinc/89/90/53/349899053.db2.gz VOQJHYIHTQTWSK-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596480138 349914678 /nfs/dbraw/zinc/91/46/78/349914678.db2.gz WEUNXRLEWHCHJK-GFCCVEGCSA-N 1 0 290.367 2.809 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486597 530064948 /nfs/dbraw/zinc/06/49/48/530064948.db2.gz YGBGHMNDVISGNQ-HOCLYGCPSA-N 1 0 289.379 2.511 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000413441654 530054956 /nfs/dbraw/zinc/05/49/56/530054956.db2.gz PYOWBEIATGMBIH-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000413433334 530061218 /nfs/dbraw/zinc/06/12/18/530061218.db2.gz DGSYESZABNXIAB-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000596489437 349917812 /nfs/dbraw/zinc/91/78/12/349917812.db2.gz VRYZVFWSGWKBKD-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO COCc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000127358892 187299515 /nfs/dbraw/zinc/29/95/15/187299515.db2.gz HAOZHEIUAMYIBO-UHFFFAOYSA-N 1 0 290.319 2.667 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098012882 232183578 /nfs/dbraw/zinc/18/35/78/232183578.db2.gz XGXYDYOLRGFTCI-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO CCC[N@@H+]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000596518484 349927830 /nfs/dbraw/zinc/92/78/30/349927830.db2.gz UXPQIUHXMYHKAH-VIFPVBQESA-N 1 0 255.343 2.553 20 5 CFBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570046 349944028 /nfs/dbraw/zinc/94/40/28/349944028.db2.gz HZXMYULENHOZFF-CYBMUJFWSA-N 1 0 290.367 2.524 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016880843 346239498 /nfs/dbraw/zinc/23/94/98/346239498.db2.gz HFSZLKADVKANGY-LLVKDONJSA-N 1 0 292.335 2.693 20 5 CFBDRO CCCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000024165789 346255016 /nfs/dbraw/zinc/25/50/16/346255016.db2.gz XMHDGHVLAOQCRA-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000030269538 346287542 /nfs/dbraw/zinc/28/75/42/346287542.db2.gz SNBDDMUAQCOWEH-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000046092590 346419933 /nfs/dbraw/zinc/41/99/33/346419933.db2.gz ZMCUDDRWTHMKKM-ZDUSSCGKSA-N 1 0 276.336 2.596 20 5 CFBDRO C[NH+](C)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000075668985 347091188 /nfs/dbraw/zinc/09/11/88/347091188.db2.gz HOFMHXHOVROMKY-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO CC(C)CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000052246234 346518337 /nfs/dbraw/zinc/51/83/37/346518337.db2.gz PAGZSVSVKVANGJ-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO Cc1ccc([C@H](C)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596647757 349968013 /nfs/dbraw/zinc/96/80/13/349968013.db2.gz BBZIXCSQRNFEMA-LBPRGKRZSA-N 1 0 277.368 2.825 20 5 CFBDRO CCOC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000060484610 346667088 /nfs/dbraw/zinc/66/70/88/346667088.db2.gz IHVMKMFHPVPXJO-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075891725 347106129 /nfs/dbraw/zinc/10/61/29/347106129.db2.gz XMSJJWKRJGYISX-RYUDHWBXSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000076111548 347122345 /nfs/dbraw/zinc/12/23/45/347122345.db2.gz CGDVQMRMQYWCLH-UWVGGRQHSA-N 1 0 252.289 2.822 20 5 CFBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076112987 347122569 /nfs/dbraw/zinc/12/25/69/347122569.db2.gz IVCBFDQFGVMUFT-TXEJJXNPSA-N 1 0 264.325 2.561 20 5 CFBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000076744718 347151225 /nfs/dbraw/zinc/15/12/25/347151225.db2.gz XIMMZWWQXUFPRE-NEPJUHHUSA-N 1 0 278.356 2.665 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C(C)C ZINC000085862161 179190728 /nfs/dbraw/zinc/19/07/28/179190728.db2.gz GAZKSGWNQKTLGO-UHFFFAOYSA-N 1 0 296.367 2.585 20 5 CFBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000078526749 347260065 /nfs/dbraw/zinc/26/00/65/347260065.db2.gz GPHKPAVGFRSEJV-ZDUSSCGKSA-N 1 0 290.367 2.666 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078583820 347263485 /nfs/dbraw/zinc/26/34/85/347263485.db2.gz LGHSVVPFWPHYPR-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1cnc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000078626881 347265068 /nfs/dbraw/zinc/26/50/68/347265068.db2.gz FLBZGCPWBXCTAV-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO Cc1cnc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078630538 347266586 /nfs/dbraw/zinc/26/65/86/347266586.db2.gz AEFYKAYCFACEIR-QWHCGFSZSA-N 1 0 292.383 2.973 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000079914513 347331301 /nfs/dbraw/zinc/33/13/01/347331301.db2.gz HWHZTPYRRGIAJK-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)c1 ZINC000080531131 347364720 /nfs/dbraw/zinc/36/47/20/347364720.db2.gz VBKMHOBABQELDV-UHFFFAOYSA-N 1 0 299.346 2.742 20 5 CFBDRO Cc1cc(NCC2([NH+](C)C)CCCCC2)ncc1[N+](=O)[O-] ZINC000080584972 347367963 /nfs/dbraw/zinc/36/79/63/347367963.db2.gz WFGQUUHNQYJOCN-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000080606260 347369593 /nfs/dbraw/zinc/36/95/93/347369593.db2.gz XONLDAUCRXTRLW-CQSZACIVSA-N 1 0 289.379 2.763 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000080653653 347372593 /nfs/dbraw/zinc/37/25/93/347372593.db2.gz OAAHVPZWBUSESB-OCCSQVGLSA-N 1 0 275.352 2.576 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000080652862 347372625 /nfs/dbraw/zinc/37/26/25/347372625.db2.gz AYRCNPYFDVCLHN-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C1CC1)[NH+](C)C ZINC000091481411 347589123 /nfs/dbraw/zinc/58/91/23/347589123.db2.gz APMBOCIZQPSKOY-AWEZNQCLSA-N 1 0 263.341 2.655 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000092622015 347635266 /nfs/dbraw/zinc/63/52/66/347635266.db2.gz JGRLMUHPRQEYOW-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092630122 347635763 /nfs/dbraw/zinc/63/57/63/347635763.db2.gz RIVLIWFUWXGXKC-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CCOc1cc(NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000092650585 347636379 /nfs/dbraw/zinc/63/63/79/347636379.db2.gz BBYUOWOYXGZMGS-AWEZNQCLSA-N 1 0 293.367 2.746 20 5 CFBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000092656576 347637851 /nfs/dbraw/zinc/63/78/51/347637851.db2.gz NYEHGPBYMAGLKO-CQSZACIVSA-N 1 0 289.379 2.825 20 5 CFBDRO CC(C)c1ccc(C[N@@H+](C)CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000093481538 347676609 /nfs/dbraw/zinc/67/66/09/347676609.db2.gz YKJMAVJSJGLYBW-LBPRGKRZSA-N 1 0 280.368 2.921 20 5 CFBDRO CCOc1cc(N[C@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000111047620 347751525 /nfs/dbraw/zinc/75/15/25/347751525.db2.gz QHMAKNAGGKYNCO-ZDUSSCGKSA-N 1 0 293.367 2.890 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122864162 347817216 /nfs/dbraw/zinc/81/72/16/347817216.db2.gz POBSZOAHIJUSJP-NEPJUHHUSA-N 1 0 275.352 2.940 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(OCCC2CC[NH2+]CC2)c1 ZINC000134493684 347898824 /nfs/dbraw/zinc/89/88/24/347898824.db2.gz QCZDYBFHWFAWTK-UHFFFAOYSA-N 1 0 264.325 2.672 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1OCCC1CC[NH2+]CC1 ZINC000134495473 347898983 /nfs/dbraw/zinc/89/89/83/347898983.db2.gz MPUKEDNEKMUWEC-UHFFFAOYSA-N 1 0 268.288 2.502 20 5 CFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000131908209 347881285 /nfs/dbraw/zinc/88/12/85/347881285.db2.gz OMVLSLQFJYHPDN-GXSJLCMTSA-N 1 0 283.759 2.560 20 5 CFBDRO C[NH2+]CCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000138329382 347916231 /nfs/dbraw/zinc/91/62/31/347916231.db2.gz ORFBXFYSVBFKCI-UHFFFAOYSA-N 1 0 278.230 2.602 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CO)c(Cl)c1 ZINC000157088089 347997703 /nfs/dbraw/zinc/99/77/03/347997703.db2.gz QBESTIFNJCHILS-CYBMUJFWSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157748139 348002673 /nfs/dbraw/zinc/00/26/73/348002673.db2.gz PVGNBBBTXQRWGG-GHMZBOCLSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000165260607 348038762 /nfs/dbraw/zinc/03/87/62/348038762.db2.gz DZRNQXOLNJPDHE-DFBGVHRSSA-N 1 0 278.352 2.857 20 5 CFBDRO COc1ccc(OCC[N@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000173550941 348108975 /nfs/dbraw/zinc/10/89/75/348108975.db2.gz AUYSAGZCDLTVSI-UHFFFAOYSA-N 1 0 296.367 2.960 20 5 CFBDRO COCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000234846353 348222904 /nfs/dbraw/zinc/22/29/04/348222904.db2.gz DMZZILUOBKEETE-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO CSC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000235229752 348225587 /nfs/dbraw/zinc/22/55/87/348225587.db2.gz RIQJZFBYBBDOCW-UHFFFAOYSA-N 1 0 296.392 2.849 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](O)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000232135356 348210399 /nfs/dbraw/zinc/21/03/99/348210399.db2.gz RDUSQGGLULZGKT-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1OCC1CC[NH2+]CC1 ZINC000236049263 348230818 /nfs/dbraw/zinc/23/08/18/348230818.db2.gz YMSWOSLESREJEF-UHFFFAOYSA-N 1 0 270.716 2.627 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCC[C@H]1O ZINC000304218441 348378005 /nfs/dbraw/zinc/37/80/05/348378005.db2.gz HRTMRFGIXACTLF-KSLFURFDSA-N 1 0 276.336 2.501 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000311801711 348414458 /nfs/dbraw/zinc/41/44/58/348414458.db2.gz BQHFBYROLLQEKZ-GXSJLCMTSA-N 1 0 282.365 2.587 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000413052498 233011615 /nfs/dbraw/zinc/01/16/15/233011615.db2.gz HSHZLAKIKWEKQE-WDEREUQCSA-N 1 0 296.346 2.804 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000273374041 192130337 /nfs/dbraw/zinc/13/03/37/192130337.db2.gz GKDAYJNQQXGGTH-CQSZACIVSA-N 1 0 266.341 2.664 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000320315083 348436085 /nfs/dbraw/zinc/43/60/85/348436085.db2.gz MFVXEMYHUSDQTJ-LLVKDONJSA-N 1 0 294.351 2.662 20 5 CFBDRO COc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000314876157 348427982 /nfs/dbraw/zinc/42/79/82/348427982.db2.gz GKYBSGZITQDERK-JTQLQIEISA-N 1 0 299.346 2.883 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3sccc3[N+](=O)[O-])C2)C1 ZINC000590141949 348877561 /nfs/dbraw/zinc/87/75/61/348877561.db2.gz VZSGEIQIZIOUIV-CYBMUJFWSA-N 1 0 281.381 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000590598846 348913160 /nfs/dbraw/zinc/91/31/60/348913160.db2.gz CFNHZLSOOKLYPM-OAHLLOKOSA-N 1 0 283.331 2.979 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590644558 348919658 /nfs/dbraw/zinc/91/96/58/348919658.db2.gz DDKOQDIDABYJJW-JSGCOSHPSA-N 1 0 294.351 2.521 20 5 CFBDRO Cc1cccc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444719 349022744 /nfs/dbraw/zinc/02/27/44/349022744.db2.gz JYOCQLNCQYAMBA-KBPBESRZSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1ccc([C@H](C)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000591577278 349031221 /nfs/dbraw/zinc/03/12/21/349031221.db2.gz LQRALJWXZITXEZ-ZDUSSCGKSA-N 1 0 279.384 2.942 20 5 CFBDRO CCc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356721 349107625 /nfs/dbraw/zinc/10/76/25/349107625.db2.gz GNZWNNTZQFRIKZ-NSHDSACASA-N 1 0 288.307 2.632 20 5 CFBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000592374950 349111155 /nfs/dbraw/zinc/11/11/55/349111155.db2.gz MZUMPJRCHXXXKM-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592374995 349111345 /nfs/dbraw/zinc/11/13/45/349111345.db2.gz OZQQHRLENMSLAJ-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374585 349111361 /nfs/dbraw/zinc/11/13/61/349111361.db2.gz LHQGWSQLAIDXDM-HNNXBMFYSA-N 1 0 296.367 2.634 20 5 CFBDRO CCCC[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000592375567 349111912 /nfs/dbraw/zinc/11/19/12/349111912.db2.gz XJGLMVQIQPWUPV-CQSZACIVSA-N 1 0 266.341 2.626 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000592466567 349125960 /nfs/dbraw/zinc/12/59/60/349125960.db2.gz PRJVSXQWRGLLTP-RYUDHWBXSA-N 1 0 290.367 2.550 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C)([NH3+])CC1 ZINC000592485037 349127407 /nfs/dbraw/zinc/12/74/07/349127407.db2.gz OPNNLGZXECJWTM-LBPRGKRZSA-N 1 0 277.368 2.777 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000271156508 190968334 /nfs/dbraw/zinc/96/83/34/190968334.db2.gz RGIFZFDCGNNNID-VXGBXAGGSA-N 1 0 294.351 2.681 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414251099 233206228 /nfs/dbraw/zinc/20/62/28/233206228.db2.gz GVGPCNURPBXEOC-COMQUAJESA-N 1 0 292.379 2.929 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593116753 349212953 /nfs/dbraw/zinc/21/29/53/349212953.db2.gz HSQSPUXEKLRMIG-CYBMUJFWSA-N 1 0 298.289 2.835 20 5 CFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593069376 349201487 /nfs/dbraw/zinc/20/14/87/349201487.db2.gz REDULWFPRAIVEP-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CNc3ccccc3C2)cc1 ZINC000593317790 349246884 /nfs/dbraw/zinc/24/68/84/349246884.db2.gz YCNPPOQBZLYTBQ-CQSZACIVSA-N 1 0 283.331 2.721 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593647837 349303883 /nfs/dbraw/zinc/30/38/83/349303883.db2.gz NBAVWHOQGQQFQM-UHFFFAOYSA-N 1 0 290.363 2.640 20 5 CFBDRO Cc1ccc(C[NH2+]CCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000593694167 349311328 /nfs/dbraw/zinc/31/13/28/349311328.db2.gz XEYSHJPBGUGJLY-UHFFFAOYSA-N 1 0 278.352 2.546 20 5 CFBDRO Cc1ccc(CN(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593703401 349312951 /nfs/dbraw/zinc/31/29/51/349312951.db2.gz TUIWRWPQXKEZEK-UHFFFAOYSA-N 1 0 291.395 2.821 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC[NH+]1CCCCC1 ZINC000593702333 349313150 /nfs/dbraw/zinc/31/31/50/349313150.db2.gz LPGDAMPCTSGWHW-UHFFFAOYSA-N 1 0 291.395 2.821 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000597113366 350030653 /nfs/dbraw/zinc/03/06/53/350030653.db2.gz MXXWTOMKLMTNSO-HIFRSBDPSA-N 1 0 276.336 2.560 20 5 CFBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000597234842 350066391 /nfs/dbraw/zinc/06/63/91/350066391.db2.gz BVTCFAXWPLZEJP-UQXCZLMFSA-N 1 0 290.363 2.558 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C2([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597235098 350066467 /nfs/dbraw/zinc/06/64/67/350066467.db2.gz UIOWDSWGJZMVMP-NSHDSACASA-N 1 0 278.352 2.721 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414570039 233296316 /nfs/dbraw/zinc/29/63/16/233296316.db2.gz IZDABRQJGNNGNS-YFOKADDASA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414589533 233298014 /nfs/dbraw/zinc/29/80/14/233298014.db2.gz WZPYWCYHFRBKIL-OTDCPUGPSA-N 1 0 290.363 2.701 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000091395514 180146321 /nfs/dbraw/zinc/14/63/21/180146321.db2.gz NMOOAFGVVCNTMI-LBPRGKRZSA-N 1 0 297.786 2.774 20 5 CFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414808292 233359825 /nfs/dbraw/zinc/35/98/25/233359825.db2.gz SCWWRMNZEBZEGX-YGRLFVJLSA-N 1 0 297.786 2.855 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091929708 180288410 /nfs/dbraw/zinc/28/84/10/180288410.db2.gz NHYVKYZZIDHOEY-LLVKDONJSA-N 1 0 294.351 2.844 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC2(F)F)cs1 ZINC000598647002 350301441 /nfs/dbraw/zinc/30/14/41/350301441.db2.gz JFOKXRBUWAUREC-MRVPVSSYSA-N 1 0 262.281 2.791 20 5 CFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598717313 350316485 /nfs/dbraw/zinc/31/64/85/350316485.db2.gz DRYPZSGTLZVNFH-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCOC2)c(F)c1 ZINC000598985794 350354012 /nfs/dbraw/zinc/35/40/12/350354012.db2.gz YRQVSGWQNHAWFV-NSHDSACASA-N 1 0 282.315 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000598985137 350354125 /nfs/dbraw/zinc/35/41/25/350354125.db2.gz JDXWYNXMTNEGNN-ZDUSSCGKSA-N 1 0 264.325 2.501 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598990286 350355839 /nfs/dbraw/zinc/35/58/39/350355839.db2.gz CDAHODFKDKMZRX-ZQMJAJRESA-N 1 0 292.379 2.995 20 5 CFBDRO C/C=C\C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599005709 350358107 /nfs/dbraw/zinc/35/81/07/350358107.db2.gz OWKALDPLLNMHQU-IHWYPQMZSA-N 1 0 272.251 2.862 20 5 CFBDRO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[NH+](C)C ZINC000599020407 350359504 /nfs/dbraw/zinc/35/95/04/350359504.db2.gz OTPRAQVVJOELCR-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[NH+](C)C ZINC000599020405 350359812 /nfs/dbraw/zinc/35/98/12/350359812.db2.gz OTPRAQVVJOELCR-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599026230 350361134 /nfs/dbraw/zinc/36/11/34/350361134.db2.gz DJWFTNSARXUFFY-GFCCVEGCSA-N 1 0 286.335 2.649 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000599091208 350374125 /nfs/dbraw/zinc/37/41/25/350374125.db2.gz IBYWSOXCRHJLCF-GMXVVIOVSA-N 1 0 294.351 2.679 20 5 CFBDRO CCO[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599411761 350432001 /nfs/dbraw/zinc/43/20/01/350432001.db2.gz DFYRCFLZOKIOFX-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO COCCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599507251 350447779 /nfs/dbraw/zinc/44/77/79/350447779.db2.gz UDMWVXOATHJCIP-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](CCF)C1 ZINC000599641612 350470637 /nfs/dbraw/zinc/47/06/37/350470637.db2.gz JFGKUSFVQQPTAU-RYUDHWBXSA-N 1 0 282.315 2.716 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000599672304 350477809 /nfs/dbraw/zinc/47/78/09/350477809.db2.gz DFJBRSKEZHGRMF-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000600141364 350518594 /nfs/dbraw/zinc/51/85/94/350518594.db2.gz GGBWFXIPVQPPGL-UHFFFAOYSA-N 1 0 287.319 2.793 20 5 CFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000600881677 350622743 /nfs/dbraw/zinc/62/27/43/350622743.db2.gz YRIPAJXOYPACOB-VIFPVBQESA-N 1 0 278.337 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)cn1 ZINC000600789040 350612272 /nfs/dbraw/zinc/61/22/72/350612272.db2.gz PPTLBAYKLZOYMA-ZDUSSCGKSA-N 1 0 283.331 2.809 20 5 CFBDRO CCC[NH+]1CCC(N(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787530 186272915 /nfs/dbraw/zinc/27/29/15/186272915.db2.gz ALSMLYRPNYOBKD-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO CC(C)(F)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000601137062 350679084 /nfs/dbraw/zinc/67/90/84/350679084.db2.gz RMUJNJOEECAYGM-FNORWQNLSA-N 1 0 252.289 2.946 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCn2nccc21 ZINC000601173642 350688898 /nfs/dbraw/zinc/68/88/98/350688898.db2.gz FVZSFLGRTSPSNQ-JHAQOBCDSA-N 1 0 298.346 2.929 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000601189343 350692104 /nfs/dbraw/zinc/69/21/04/350692104.db2.gz PXOAAHLMHZFCHX-ZDUSSCGKSA-N 1 0 292.383 2.527 20 5 CFBDRO CC(C)(F)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000601288476 350717725 /nfs/dbraw/zinc/71/77/25/350717725.db2.gz YRKSYHDFWARNGB-QWRGUYRKSA-N 1 0 284.335 2.613 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111254538 186379623 /nfs/dbraw/zinc/37/96/23/186379623.db2.gz GYKAQJQMJRZIKP-LBPRGKRZSA-N 1 0 293.367 2.901 20 5 CFBDRO CCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503341 350907002 /nfs/dbraw/zinc/90/70/02/350907002.db2.gz MQDBBFRHBVVGMU-GFCCVEGCSA-N 1 0 292.383 2.737 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC000602518313 350912204 /nfs/dbraw/zinc/91/22/04/350912204.db2.gz PLECTBSJBUQYFX-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000602530771 350916021 /nfs/dbraw/zinc/91/60/21/350916021.db2.gz QDVQIUSLSOMXKV-CLLJXQQHSA-N 1 0 276.336 2.739 20 5 CFBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602547318 350920284 /nfs/dbraw/zinc/92/02/84/350920284.db2.gz WWWBHUIOAAJFMF-DOMZBBRYSA-N 1 0 280.368 2.524 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])CC(C)C ZINC000602558974 350924259 /nfs/dbraw/zinc/92/42/59/350924259.db2.gz RNCXWJUNTZUIHS-CQSZACIVSA-N 1 0 280.368 2.788 20 5 CFBDRO CO[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000602559019 350924345 /nfs/dbraw/zinc/92/43/45/350924345.db2.gz RXCVWUIPQTTZLY-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CCO)CCCC2)cc1 ZINC000602563735 350925654 /nfs/dbraw/zinc/92/56/54/350925654.db2.gz ZCPOTGLKKZFULT-UHFFFAOYSA-N 1 0 292.379 2.670 20 5 CFBDRO CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602568304 350927581 /nfs/dbraw/zinc/92/75/81/350927581.db2.gz JJTXIMXKRDECRJ-KBPBESRZSA-N 1 0 292.383 2.906 20 5 CFBDRO CC[C@](C)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602579895 350932894 /nfs/dbraw/zinc/93/28/94/350932894.db2.gz JNJFIVVOUIRFQL-CQSZACIVSA-N 1 0 266.341 2.542 20 5 CFBDRO CCC[C@]1(C)CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475389 350897629 /nfs/dbraw/zinc/89/76/29/350897629.db2.gz VQEKFBXZGYIKFO-CQSZACIVSA-N 1 0 280.372 2.731 20 5 CFBDRO CC(C)SCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602651908 350961762 /nfs/dbraw/zinc/96/17/62/350961762.db2.gz AKVCRKMXNKGVSY-UHFFFAOYSA-N 1 0 295.364 2.967 20 5 CFBDRO COCC1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602673018 350972043 /nfs/dbraw/zinc/97/20/43/350972043.db2.gz BBYUQJUJHGMJDR-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602695107 350982307 /nfs/dbraw/zinc/98/23/07/350982307.db2.gz DPVWKJUCGQGJCY-UHFFFAOYSA-N 1 0 263.297 2.966 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602705779 350989877 /nfs/dbraw/zinc/98/98/77/350989877.db2.gz PLHZTMKZOVCPEL-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000602717327 350998081 /nfs/dbraw/zinc/99/80/81/350998081.db2.gz ZXXFPSMICAWMIP-LLVKDONJSA-N 1 0 270.279 2.772 20 5 CFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(F)F ZINC000602638004 350956473 /nfs/dbraw/zinc/95/64/73/350956473.db2.gz QCYOCUCHLPQPGI-IONNQARKSA-N 1 0 296.277 2.604 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000602764813 351017304 /nfs/dbraw/zinc/01/73/04/351017304.db2.gz YLUSCIOKEGWFGK-YPMHNXCESA-N 1 0 280.372 2.610 20 5 CFBDRO Cn1cc(C[NH2+]C(C)(C)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602774396 351020440 /nfs/dbraw/zinc/02/04/40/351020440.db2.gz YRADEWYPDQMQQH-UHFFFAOYSA-N 1 0 268.361 2.633 20 5 CFBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000602812650 351035028 /nfs/dbraw/zinc/03/50/28/351035028.db2.gz BJSKQUVYZPYXFP-DGCLKSJQSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC(CC)[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602835623 351040666 /nfs/dbraw/zinc/04/06/66/351040666.db2.gz ZUYNPSMRZLSNRL-UHFFFAOYSA-N 1 0 268.361 2.610 20 5 CFBDRO Cn1cc(C[NH2+][C@H]2CCCCC23CCCC3)c([N+](=O)[O-])n1 ZINC000602838133 351041733 /nfs/dbraw/zinc/04/17/33/351041733.db2.gz REQNHHSDULMKQB-ZDUSSCGKSA-N 1 0 292.383 2.921 20 5 CFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000602845200 351043079 /nfs/dbraw/zinc/04/30/79/351043079.db2.gz GHMQWUSOGQVUGQ-NWDGAFQWSA-N 1 0 280.372 2.514 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cs1 ZINC000602997857 351087955 /nfs/dbraw/zinc/08/79/55/351087955.db2.gz SCGDVRNSMZTUQT-UPJWGTAASA-N 1 0 296.392 2.782 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000602997687 351088023 /nfs/dbraw/zinc/08/80/23/351088023.db2.gz OWKIGRCSUPWCIG-OAGGEKHMSA-N 1 0 290.363 2.720 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC(C)C ZINC000603425190 351161748 /nfs/dbraw/zinc/16/17/48/351161748.db2.gz RQJVACFKJSDWON-NRUITVPNSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000603435790 351164140 /nfs/dbraw/zinc/16/41/40/351164140.db2.gz ZGVDBZISESKYDF-DYEKYZERSA-N 1 0 277.368 2.543 20 5 CFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604379697 351209304 /nfs/dbraw/zinc/20/93/04/351209304.db2.gz GIAMTXYSDRQTBQ-XQQFMLRXSA-N 1 0 292.383 2.768 20 5 CFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604379694 351209462 /nfs/dbraw/zinc/20/94/62/351209462.db2.gz GIAMTXYSDRQTBQ-JHJVBQTASA-N 1 0 292.383 2.768 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000604409261 351211646 /nfs/dbraw/zinc/21/16/46/351211646.db2.gz LMRKVVRWFGRYGW-SECBINFHSA-N 1 0 267.354 2.553 20 5 CFBDRO CN(CC[N@H+](C)C1CCCCC1)c1cccnc1[N+](=O)[O-] ZINC000604432883 351212503 /nfs/dbraw/zinc/21/25/03/351212503.db2.gz VNWUBPLVDOIXAF-UHFFFAOYSA-N 1 0 292.383 2.691 20 5 CFBDRO CC[NH+](CC)CCCCNc1cccnc1[N+](=O)[O-] ZINC000604482281 351214470 /nfs/dbraw/zinc/21/44/70/351214470.db2.gz BFMUDENMWYGDJU-UHFFFAOYSA-N 1 0 266.345 2.524 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000609385888 351499924 /nfs/dbraw/zinc/49/99/24/351499924.db2.gz GMEIDIMZQSVJAZ-CQSZACIVSA-N 1 0 277.368 2.557 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000609560494 351507262 /nfs/dbraw/zinc/50/72/62/351507262.db2.gz PBPZVWGKLKYFKQ-LLVKDONJSA-N 1 0 281.381 2.721 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000609595661 351510785 /nfs/dbraw/zinc/51/07/85/351510785.db2.gz XQTTZXPULAOTAI-SNVBAGLBSA-N 1 0 269.370 2.623 20 5 CFBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000608779967 351470834 /nfs/dbraw/zinc/47/08/34/351470834.db2.gz SIZYEJRMTCSNJO-GFCCVEGCSA-N 1 0 264.325 2.706 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccccn1 ZINC000609006650 351483556 /nfs/dbraw/zinc/48/35/56/351483556.db2.gz ORKIMUUYLJUGND-ALCCZGGFSA-N 1 0 269.304 2.793 20 5 CFBDRO CCC[NH+](CCC)CCCNc1cccnc1[N+](=O)[O-] ZINC000609075383 351484608 /nfs/dbraw/zinc/48/46/08/351484608.db2.gz UEABQFWKAIBKJL-UHFFFAOYSA-N 1 0 280.372 2.914 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609204246 351491975 /nfs/dbraw/zinc/49/19/75/351491975.db2.gz YRUMHMALACOPFF-OLZOCXBDSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@@H](COC)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000610010165 351531709 /nfs/dbraw/zinc/53/17/09/351531709.db2.gz ZZSBWEKFWNKZPN-WOLRVDTOSA-N 1 0 264.325 2.623 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610133404 351535786 /nfs/dbraw/zinc/53/57/86/351535786.db2.gz MVEPLCGEVPQKPF-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@H+](C2CC2)C2CCCCC2)n1 ZINC000610484789 351569544 /nfs/dbraw/zinc/56/95/44/351569544.db2.gz HYCIYODFZVBCEH-UHFFFAOYSA-N 1 0 278.356 2.588 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610715950 351596073 /nfs/dbraw/zinc/59/60/73/351596073.db2.gz JIQALYMPXBSRIA-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO COC(C)(C)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610720685 351597509 /nfs/dbraw/zinc/59/75/09/351597509.db2.gz ZQABKHNHZDZTMT-UHFFFAOYSA-N 1 0 296.367 2.721 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000610762798 351605193 /nfs/dbraw/zinc/60/51/93/351605193.db2.gz WXXRSLIFLIRATH-VXGBXAGGSA-N 1 0 262.309 2.588 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000610804174 351610365 /nfs/dbraw/zinc/61/03/65/351610365.db2.gz LWCUIDTXGRYKSZ-CHWSQXEVSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000610370213 351561206 /nfs/dbraw/zinc/56/12/06/351561206.db2.gz XBQCDEXIHZYZHK-KBPBESRZSA-N 1 0 289.379 2.826 20 5 CFBDRO C[C@H]1COCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611272350 351662260 /nfs/dbraw/zinc/66/22/60/351662260.db2.gz AXWTVVAZSSIVHA-LVDDQXARSA-N 1 0 276.336 2.719 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273791 351662270 /nfs/dbraw/zinc/66/22/70/351662270.db2.gz UPMYPPZOUZNCJX-QWRGUYRKSA-N 1 0 292.335 2.596 20 5 CFBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000611256567 351658587 /nfs/dbraw/zinc/65/85/87/351658587.db2.gz GPJBXPQMTHWCKK-CQSZACIVSA-N 1 0 278.352 2.762 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](CCO)C1 ZINC000611268941 351660698 /nfs/dbraw/zinc/66/06/98/351660698.db2.gz MNEDTTITFIWKQS-HJHHMULASA-N 1 0 290.363 2.702 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929177 351622625 /nfs/dbraw/zinc/62/26/25/351622625.db2.gz WNMJPLZJXJICDE-NSHDSACASA-N 1 0 298.774 2.930 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000610959390 351625333 /nfs/dbraw/zinc/62/53/33/351625333.db2.gz UGCXZQQMABJPMD-STQMWFEESA-N 1 0 294.351 2.651 20 5 CFBDRO CC[NH+](CC)CCCNc1sccc1[N+](=O)[O-] ZINC000611411013 351684938 /nfs/dbraw/zinc/68/49/38/351684938.db2.gz JDTCADNPCRKGRE-UHFFFAOYSA-N 1 0 257.359 2.800 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000611411591 351684944 /nfs/dbraw/zinc/68/49/44/351684944.db2.gz NAOVOHSWKVVVLY-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO CC(C)C([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000611434179 351688831 /nfs/dbraw/zinc/68/88/31/351688831.db2.gz UYHJMAMRERDZNT-UHFFFAOYSA-N 1 0 293.367 2.804 20 5 CFBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501458 351698318 /nfs/dbraw/zinc/69/83/18/351698318.db2.gz CCPGITXMDUEHII-SMDDNHRTSA-N 1 0 266.316 2.817 20 5 CFBDRO CCOc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000611298469 351665544 /nfs/dbraw/zinc/66/55/44/351665544.db2.gz VGSQHWTXCOODAX-VXGBXAGGSA-N 1 0 293.367 2.522 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)CO ZINC000611336958 351669825 /nfs/dbraw/zinc/66/98/25/351669825.db2.gz SSOCXSNGQSKNEJ-NSHDSACASA-N 1 0 266.341 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000611370576 351675309 /nfs/dbraw/zinc/67/53/09/351675309.db2.gz CYIVAIQOUZGFGB-UHFFFAOYSA-N 1 0 281.275 2.919 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000611684718 351722982 /nfs/dbraw/zinc/72/29/82/351722982.db2.gz OMTHEUPDQWCQBJ-AWEZNQCLSA-N 1 0 296.342 2.765 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000611616497 351714489 /nfs/dbraw/zinc/71/44/89/351714489.db2.gz UESVPLPGMVHWLH-GFCCVEGCSA-N 1 0 292.383 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC000612422598 351819238 /nfs/dbraw/zinc/81/92/38/351819238.db2.gz FEWBBOCVRNONSG-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000612582134 351838728 /nfs/dbraw/zinc/83/87/28/351838728.db2.gz XTTYYHINXBMROA-UHFFFAOYSA-N 1 0 276.336 2.516 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)Cn1cccn1 ZINC000612607409 351843243 /nfs/dbraw/zinc/84/32/43/351843243.db2.gz ABTHQWVOYPBCEM-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123005280 187065887 /nfs/dbraw/zinc/06/58/87/187065887.db2.gz QHDDZBLPQXQBKG-TXEJJXNPSA-N 1 0 291.351 2.715 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000123268271 187081640 /nfs/dbraw/zinc/08/16/40/187081640.db2.gz VQTJRDUDPZITIZ-ZFWWWQNUSA-N 1 0 278.352 2.542 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1ccsc1[N+](=O)[O-])CC2 ZINC000614976606 352138420 /nfs/dbraw/zinc/13/84/20/352138420.db2.gz QYHXBXMVDPUTQT-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)n1 ZINC000614982773 352139924 /nfs/dbraw/zinc/13/99/24/352139924.db2.gz YYDMGTXFTQUMPL-UHFFFAOYSA-N 1 0 292.383 2.527 20 5 CFBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271498495 191176273 /nfs/dbraw/zinc/17/62/73/191176273.db2.gz KCYXRVWGWPXRCA-VXGBXAGGSA-N 1 0 284.381 2.950 20 5 CFBDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000271534314 191197661 /nfs/dbraw/zinc/19/76/61/191197661.db2.gz QBXYOACUHPDPHS-LDYMZIIASA-N 1 0 292.257 2.559 20 5 CFBDRO CSCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618561688 352808572 /nfs/dbraw/zinc/80/85/72/352808572.db2.gz LNOCBMBGAUODHU-ZDUSSCGKSA-N 1 0 266.366 2.925 20 5 CFBDRO CC(C)([NH2+]CCOCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000292221186 198207875 /nfs/dbraw/zinc/20/78/75/198207875.db2.gz VBEDQBPMKOIIRR-UHFFFAOYSA-N 1 0 288.294 2.701 20 5 CFBDRO CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000619531281 353033472 /nfs/dbraw/zinc/03/34/72/353033472.db2.gz UJENBSWBQJJENW-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292266909 198223758 /nfs/dbraw/zinc/22/37/58/198223758.db2.gz ZCULJLHDMGHFPQ-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153089026 188064602 /nfs/dbraw/zinc/06/46/02/188064602.db2.gz VMLHCUVHAGMSPS-CMPLNLGQSA-N 1 0 298.770 2.984 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3C[C@@H]4CCC[C@H]4C3)nc2c1 ZINC000153219354 188071698 /nfs/dbraw/zinc/07/16/98/188071698.db2.gz SCOONTCKQHJXGO-QWRGUYRKSA-N 1 0 287.319 2.968 20 5 CFBDRO Cn1cc(C[N@H+](C)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153753199 188101603 /nfs/dbraw/zinc/10/16/03/188101603.db2.gz XAGIBGMIBBXHCY-UHFFFAOYSA-N 1 0 286.335 2.590 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000153963745 188114014 /nfs/dbraw/zinc/11/40/14/188114014.db2.gz PKWAUEJNXGRJNX-CVEARBPZSA-N 1 0 290.363 2.893 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000156176596 188246825 /nfs/dbraw/zinc/24/68/25/188246825.db2.gz UPSXPRWLXUHSQJ-ZIAGYGMSSA-N 1 0 291.395 2.848 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000271689712 191277234 /nfs/dbraw/zinc/27/72/34/191277234.db2.gz JZVGNYMYIALRNN-CQSZACIVSA-N 1 0 288.351 2.612 20 5 CFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158716000 188391395 /nfs/dbraw/zinc/39/13/95/188391395.db2.gz FGGCSQXOBILHOT-IUODEOHRSA-N 1 0 278.352 2.720 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000158619494 188385330 /nfs/dbraw/zinc/38/53/30/188385330.db2.gz LLOXXMDAERXIGR-YHWZYXNKSA-N 1 0 275.352 2.940 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCSCC2)cc1 ZINC000158623527 188386127 /nfs/dbraw/zinc/38/61/27/188386127.db2.gz FNZYLQOHGASGTF-UHFFFAOYSA-N 1 0 266.366 2.828 20 5 CFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292931555 198465814 /nfs/dbraw/zinc/46/58/14/198465814.db2.gz GXXZPUZZLKFYQN-KGMNCQPJSA-N 1 0 290.363 2.749 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000271743117 191301833 /nfs/dbraw/zinc/30/18/33/191301833.db2.gz AJAJCBQCEHOZGM-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO C[C@@H](CCO)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000271871403 191380884 /nfs/dbraw/zinc/38/08/84/191380884.db2.gz XVGYBMFIPUELDR-NSHDSACASA-N 1 0 298.408 2.935 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000271900135 191399593 /nfs/dbraw/zinc/39/95/93/191399593.db2.gz YZOQXCLGVAFMLZ-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)c1ncc(C)cc1[N+](=O)[O-] ZINC000343265497 283244220 /nfs/dbraw/zinc/24/42/20/283244220.db2.gz NVWZHYRIKPRAPM-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294317188 198995923 /nfs/dbraw/zinc/99/59/23/198995923.db2.gz OEHBYKDOWXPKPJ-NTZNESFSSA-N 1 0 293.367 2.500 20 5 CFBDRO COCCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000294572895 199091639 /nfs/dbraw/zinc/09/16/39/199091639.db2.gz BYSTZJFNTBPZLJ-NSHDSACASA-N 1 0 293.367 2.644 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000294831347 199202650 /nfs/dbraw/zinc/20/26/50/199202650.db2.gz QAUPDQIFRGYUAW-SOFGYWHQSA-N 1 0 278.352 2.558 20 5 CFBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000420356906 236627200 /nfs/dbraw/zinc/62/72/00/236627200.db2.gz CYPXBWLPKGGORJ-OXJKWZBOSA-N 1 0 277.368 2.632 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296645249 199956528 /nfs/dbraw/zinc/95/65/28/199956528.db2.gz YKHURAAJNZHZCH-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000414830616 283454288 /nfs/dbraw/zinc/45/42/88/283454288.db2.gz BEXFYYIPTNUYFK-OAHLLOKOSA-N 1 0 295.358 2.731 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000297151529 200098847 /nfs/dbraw/zinc/09/88/47/200098847.db2.gz CJQCWCAMTIDATC-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(O)CC1 ZINC000177299923 189042742 /nfs/dbraw/zinc/04/27/42/189042742.db2.gz CUPQLRWBMWQYIZ-LLVKDONJSA-N 1 0 264.325 2.503 20 5 CFBDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177431664 189050509 /nfs/dbraw/zinc/05/05/09/189050509.db2.gz QVYJBMQXFNSBFM-VXGBXAGGSA-N 1 0 293.367 2.501 20 5 CFBDRO COCCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000178730170 189141165 /nfs/dbraw/zinc/14/11/65/189141165.db2.gz BLXBRCVHGWBEAW-LLVKDONJSA-N 1 0 282.340 2.508 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCOCC2)cc1[N+](=O)[O-] ZINC000179403872 189191783 /nfs/dbraw/zinc/19/17/83/189191783.db2.gz FKBIEFJMOOATSR-NSHDSACASA-N 1 0 294.351 2.823 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)COC)cc1[N+](=O)[O-] ZINC000179408544 189192250 /nfs/dbraw/zinc/19/22/50/189192250.db2.gz ZSAFKEFWEHSOSL-NWDGAFQWSA-N 1 0 296.367 2.927 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423278885 238338157 /nfs/dbraw/zinc/33/81/57/238338157.db2.gz RHFJUZNWMDAHLJ-YPMHNXCESA-N 1 0 265.357 2.537 20 5 CFBDRO CC(C)[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000180445402 189255901 /nfs/dbraw/zinc/25/59/01/189255901.db2.gz ANBPWMCBAJOSDQ-UHFFFAOYSA-N 1 0 279.340 2.652 20 5 CFBDRO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459639 189256336 /nfs/dbraw/zinc/25/63/36/189256336.db2.gz VAPZNHIMJWXMGR-TZMCWYRMSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[C@H]([NH2+]CCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000181527722 189299499 /nfs/dbraw/zinc/29/94/99/189299499.db2.gz OJAWDSFGORZCHN-AWEZNQCLSA-N 1 0 266.341 2.798 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181762685 189306161 /nfs/dbraw/zinc/30/61/61/189306161.db2.gz HSDLYGQWVQTRFD-CQSZACIVSA-N 1 0 288.351 2.922 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182444242 189324099 /nfs/dbraw/zinc/32/40/99/189324099.db2.gz AJHBCTNDGUFXEZ-QWRGUYRKSA-N 1 0 252.314 2.589 20 5 CFBDRO CCC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000183206396 189349952 /nfs/dbraw/zinc/34/99/52/189349952.db2.gz YHEDZNZHBVOFKS-ZDUSSCGKSA-N 1 0 293.367 2.537 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301813823 201212435 /nfs/dbraw/zinc/21/24/35/201212435.db2.gz ZGVHMVYMNLRTIO-UHFFFAOYSA-N 1 0 273.283 2.673 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184537389 189389080 /nfs/dbraw/zinc/38/90/80/189389080.db2.gz FXRLWHIECXQULN-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO C[NH+](C)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000301804877 201208566 /nfs/dbraw/zinc/20/85/66/201208566.db2.gz VNTLCGSTUXRPOB-GFCCVEGCSA-N 1 0 285.294 2.625 20 5 CFBDRO CS[C@H]1CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000425338269 239000184 /nfs/dbraw/zinc/00/01/84/239000184.db2.gz AYMMOVYINZPBRZ-OLZOCXBDSA-N 1 0 266.366 2.621 20 5 CFBDRO CC[N@H+](CCNc1sccc1[N+](=O)[O-])C1CC1 ZINC000301980839 201284894 /nfs/dbraw/zinc/28/48/94/201284894.db2.gz GRRHVUXMUQUTFQ-UHFFFAOYSA-N 1 0 255.343 2.553 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000302008994 201297559 /nfs/dbraw/zinc/29/75/59/201297559.db2.gz XNCMNVYJWSUPMI-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302013153 201298927 /nfs/dbraw/zinc/29/89/27/201298927.db2.gz ZUIQHKXUORSULR-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H](C)[NH+]1CCCCC1 ZINC000302184432 201387952 /nfs/dbraw/zinc/38/79/52/201387952.db2.gz SVLSUHARYBDFHL-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000433790116 240177364 /nfs/dbraw/zinc/17/73/64/240177364.db2.gz TZEBHKDHUWYSKZ-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435390417 240309106 /nfs/dbraw/zinc/30/91/06/240309106.db2.gz BALVUAMUVKWGSG-CYBMUJFWSA-N 1 0 295.358 2.698 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000275435293 193035163 /nfs/dbraw/zinc/03/51/63/193035163.db2.gz GOVTXMBNRVAWQO-IJLUTSLNSA-N 1 0 291.351 2.795 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275433305 193035749 /nfs/dbraw/zinc/03/57/49/193035749.db2.gz JIYWMOWWESPSBL-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275433297 193036016 /nfs/dbraw/zinc/03/60/16/193036016.db2.gz JIYWMOWWESPSBL-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275483047 193054809 /nfs/dbraw/zinc/05/48/09/193054809.db2.gz OMNVHCKGWVTQNO-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275533500 193069441 /nfs/dbraw/zinc/06/94/41/193069441.db2.gz YPWMGITWUONEIA-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000275763893 193123220 /nfs/dbraw/zinc/12/32/20/193123220.db2.gz SDPITQOBOCFNAZ-NWDGAFQWSA-N 1 0 262.309 2.938 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443793706 241090265 /nfs/dbraw/zinc/09/02/65/241090265.db2.gz YIRACXHQPBWVOH-GHJWDPDVSA-N 1 0 292.379 2.885 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]4CCC[C@H]43)nc2c1 ZINC000444681839 241166674 /nfs/dbraw/zinc/16/66/74/241166674.db2.gz XEDWRSDGBDAABV-QMTHXVAHSA-N 1 0 286.335 2.846 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(C)c1 ZINC000302577988 201483432 /nfs/dbraw/zinc/48/34/32/201483432.db2.gz RNSVFDVUSLGGFZ-UHFFFAOYSA-N 1 0 273.292 2.919 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000447044960 241346677 /nfs/dbraw/zinc/34/66/77/241346677.db2.gz RAMLDKXRIWZBRW-AWEZNQCLSA-N 1 0 295.408 2.752 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000447053682 241346893 /nfs/dbraw/zinc/34/68/93/241346893.db2.gz FUEWDWKHBKJNED-ZDUSSCGKSA-N 1 0 275.352 2.576 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599604 241391972 /nfs/dbraw/zinc/39/19/72/241391972.db2.gz KSFBXGKIDFNVIX-RWWVYYKTSA-N 1 0 290.363 2.889 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449141581 241720764 /nfs/dbraw/zinc/72/07/64/241720764.db2.gz FBHPNHGCZAEHAC-YWPYICTPSA-N 1 0 280.368 2.522 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154813 241730179 /nfs/dbraw/zinc/73/01/79/241730179.db2.gz OLZVRBSVRFRKQA-WFASDCNBSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)CCCOC1 ZINC000449219969 241774517 /nfs/dbraw/zinc/77/45/17/241774517.db2.gz GBOMFPZABBJXCT-WFASDCNBSA-N 1 0 278.352 2.685 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449276373 241814219 /nfs/dbraw/zinc/81/42/19/241814219.db2.gz RPQIDHVUCAYGSE-IACUBPJLSA-N 1 0 278.352 2.683 20 5 CFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000449590764 242052172 /nfs/dbraw/zinc/05/21/72/242052172.db2.gz VSRGTGWWPJKIOQ-LLVKDONJSA-N 1 0 286.397 2.885 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])COC1 ZINC000449604069 242061298 /nfs/dbraw/zinc/06/12/98/242061298.db2.gz JBDTVTVNRXMJCH-LBPRGKRZSA-N 1 0 278.352 2.542 20 5 CFBDRO CCc1ncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449612325 242066061 /nfs/dbraw/zinc/06/60/61/242066061.db2.gz LFJLJSQMTFTKSD-LLVKDONJSA-N 1 0 289.335 2.866 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000449534994 242012226 /nfs/dbraw/zinc/01/22/26/242012226.db2.gz CSPYJNNRKDVKND-SMDDNHRTSA-N 1 0 280.368 2.967 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000449550312 242021468 /nfs/dbraw/zinc/02/14/68/242021468.db2.gz CONCDCDAVOYTAQ-IIAWOOMASA-N 1 0 290.363 2.578 20 5 CFBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000449643755 242090156 /nfs/dbraw/zinc/09/01/56/242090156.db2.gz ZHXLLBOPDWRQPV-GMTGPXDGSA-N 1 0 278.352 2.747 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000450218126 242312838 /nfs/dbraw/zinc/31/28/38/242312838.db2.gz SLMNNKODLVEFCF-SNVBAGLBSA-N 1 0 297.330 2.639 20 5 CFBDRO CSC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000330536816 202938406 /nfs/dbraw/zinc/93/84/06/202938406.db2.gz KBJOSDVSWVDYDV-SRVKXCTJSA-N 1 0 298.412 2.616 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908295 203377071 /nfs/dbraw/zinc/37/70/71/203377071.db2.gz OJUPTKQNOHCPEA-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230689884 189810796 /nfs/dbraw/zinc/81/07/96/189810796.db2.gz LUIJRHSWQWQNEB-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO C[NH+](C)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276522609 193366330 /nfs/dbraw/zinc/36/63/30/193366330.db2.gz BGDBEVGIXSETMN-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000276745468 193448492 /nfs/dbraw/zinc/44/84/92/193448492.db2.gz HBDSMJHLWRMJGE-NWANDNLSSA-N 1 0 290.363 2.806 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000459632625 245251186 /nfs/dbraw/zinc/25/11/86/245251186.db2.gz LYWQVUGVWOTDPO-OKILXGFUSA-N 1 0 278.352 2.949 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2CC(C)C)c([N+](=O)[O-])cc1O ZINC000459672615 245265769 /nfs/dbraw/zinc/26/57/69/245265769.db2.gz YLCHMAQSDSNATI-ZYHUDNBSSA-N 1 0 294.351 2.833 20 5 CFBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000459693963 245274757 /nfs/dbraw/zinc/27/47/57/245274757.db2.gz IFIYJAQCFMBLJY-AWEZNQCLSA-N 1 0 298.342 2.860 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000459764381 245311855 /nfs/dbraw/zinc/31/18/55/245311855.db2.gz OKGCCJWNQIUOKS-VWYCJHECSA-N 1 0 252.339 2.935 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459772963 245317086 /nfs/dbraw/zinc/31/70/86/245317086.db2.gz KGVOTTRGGQVAAB-YPMHNXCESA-N 1 0 284.743 2.905 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H]2CC)ccc1[N+](=O)[O-] ZINC000459780620 245321997 /nfs/dbraw/zinc/32/19/97/245321997.db2.gz REVOFMHPPKRTQL-OCCSQVGLSA-N 1 0 294.351 2.651 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000459796802 245332323 /nfs/dbraw/zinc/33/23/23/245332323.db2.gz WIZIGJKMFCKPQG-CABCVRRESA-N 1 0 290.363 2.950 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459798803 245332509 /nfs/dbraw/zinc/33/25/09/245332509.db2.gz XYXYIJPJOYIJLX-KGLIPLIRSA-N 1 0 294.326 2.781 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020089798 372228151 /nfs/dbraw/zinc/22/81/51/372228151.db2.gz PRSVLBPISSHHFR-LBPRGKRZSA-N 1 0 265.357 2.587 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092312 372229293 /nfs/dbraw/zinc/22/92/93/372229293.db2.gz ZNMUQAXHEDAYDL-NSHDSACASA-N 1 0 252.314 2.672 20 5 CFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000035084503 372537113 /nfs/dbraw/zinc/53/71/13/372537113.db2.gz VTCRCQQGSIMEDQ-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037157059 372659393 /nfs/dbraw/zinc/65/93/93/372659393.db2.gz YBNSNECZBFBJTM-RYUDHWBXSA-N 1 0 274.324 2.531 20 5 CFBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037126314 372652537 /nfs/dbraw/zinc/65/25/37/372652537.db2.gz SOZFUYBHYNAPOD-NWDGAFQWSA-N 1 0 293.367 2.502 20 5 CFBDRO CCCC[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037149801 372655091 /nfs/dbraw/zinc/65/50/91/372655091.db2.gz DYOYSCNGKRKKAG-UHFFFAOYSA-N 1 0 291.395 2.949 20 5 CFBDRO C[C@H]([NH2+]CCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037717961 372691865 /nfs/dbraw/zinc/69/18/65/372691865.db2.gz FHYFOBWNNGYXBU-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000037715073 372692854 /nfs/dbraw/zinc/69/28/54/372692854.db2.gz WZXKRXQLRNLGED-UHFFFAOYSA-N 1 0 277.246 2.764 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000037985903 372749516 /nfs/dbraw/zinc/74/95/16/372749516.db2.gz YQGYCFUHARQFJD-MRVPVSSYSA-N 1 0 257.721 2.610 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000038011247 372763372 /nfs/dbraw/zinc/76/33/72/372763372.db2.gz AMMVAAAQUWHFLO-JTQLQIEISA-N 1 0 274.324 2.786 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775006 372786811 /nfs/dbraw/zinc/78/68/11/372786811.db2.gz FVMUVMXUHDTTNC-JSGCOSHPSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000040771796 372786881 /nfs/dbraw/zinc/78/68/81/372786881.db2.gz MIEWZGJDQWACIC-AWEZNQCLSA-N 1 0 291.395 2.977 20 5 CFBDRO CC[N@H+](CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042492947 372928985 /nfs/dbraw/zinc/92/89/85/372928985.db2.gz NUQWVLJYXAIDCR-UHFFFAOYSA-N 1 0 272.732 2.717 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814549 372957986 /nfs/dbraw/zinc/95/79/86/372957986.db2.gz NOQKXCYTTFNDBY-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045686595 373027129 /nfs/dbraw/zinc/02/71/29/373027129.db2.gz CBRKDWKMDLULLD-NSHDSACASA-N 1 0 280.324 2.507 20 5 CFBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048462343 373186411 /nfs/dbraw/zinc/18/64/11/373186411.db2.gz HDMKMBMFLFGNTE-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000049558640 373310396 /nfs/dbraw/zinc/31/03/96/373310396.db2.gz UCDRPHSALIXVRX-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000050443434 373376887 /nfs/dbraw/zinc/37/68/87/373376887.db2.gz DCPOQMXFIIEYMQ-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO COC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963840 373337005 /nfs/dbraw/zinc/33/70/05/373337005.db2.gz FJZGFADNXYFPKI-VIFPVBQESA-N 1 0 272.732 2.620 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000050373046 373372823 /nfs/dbraw/zinc/37/28/23/373372823.db2.gz HYUGMTJPAQOYNA-TZMCWYRMSA-N 1 0 264.325 2.560 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051995477 373427274 /nfs/dbraw/zinc/42/72/74/373427274.db2.gz FOUQEIRDXNIRDK-KFWWJZLASA-N 1 0 278.352 2.939 20 5 CFBDRO COc1ccc(C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000051208827 373388702 /nfs/dbraw/zinc/38/87/02/373388702.db2.gz BMROKKXGSMQQLU-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000052926139 373459657 /nfs/dbraw/zinc/45/96/57/373459657.db2.gz DRWNSJXMINRKQL-UHFFFAOYSA-N 1 0 258.277 2.590 20 5 CFBDRO C[NH2+]Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000053294008 373474878 /nfs/dbraw/zinc/47/48/78/373474878.db2.gz ORVOQHYYDPPSPB-UHFFFAOYSA-N 1 0 263.322 2.746 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000063493883 373806707 /nfs/dbraw/zinc/80/67/07/373806707.db2.gz GJKOZPXBMNZWKN-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000062999800 373778657 /nfs/dbraw/zinc/77/86/57/373778657.db2.gz HZAIHDPPNZLUKH-MLGOLLRUSA-N 1 0 286.331 2.979 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188303 373790150 /nfs/dbraw/zinc/79/01/50/373790150.db2.gz ALEUHBJALHEQNI-GOEBONIOSA-N 1 0 289.379 2.701 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000068451174 374030176 /nfs/dbraw/zinc/03/01/76/374030176.db2.gz MZAXNDZNIDCLTH-SNVBAGLBSA-N 1 0 290.323 2.875 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000069081741 374044812 /nfs/dbraw/zinc/04/48/12/374044812.db2.gz MAIHZIORCCLLCT-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO CC1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072828310 374289420 /nfs/dbraw/zinc/28/94/20/374289420.db2.gz NBPBTTSVWSTJBG-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072859926 374294817 /nfs/dbraw/zinc/29/48/17/374294817.db2.gz VKUKQKJWRFFECO-CQSZACIVSA-N 1 0 291.395 2.677 20 5 CFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000072926602 374302050 /nfs/dbraw/zinc/30/20/50/374302050.db2.gz VGXWVUPOWBVGTB-UKRRQHHQSA-N 1 0 278.352 2.888 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076054490 374524509 /nfs/dbraw/zinc/52/45/09/374524509.db2.gz BOOUYRJBWVBRHU-OAHLLOKOSA-N 1 0 277.368 2.511 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000080123689 374642814 /nfs/dbraw/zinc/64/28/14/374642814.db2.gz UFKJHFUHOHBALN-GFCCVEGCSA-N 1 0 262.309 2.802 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081096211 374684848 /nfs/dbraw/zinc/68/48/48/374684848.db2.gz MLRAUKWBLTUSEO-DGCLKSJQSA-N 1 0 297.424 2.818 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081709350 374713325 /nfs/dbraw/zinc/71/33/25/374713325.db2.gz SDUGRDKBLPYWEW-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000089937751 374971960 /nfs/dbraw/zinc/97/19/60/374971960.db2.gz LJILOJBUHDXMDX-GFCCVEGCSA-N 1 0 282.365 2.541 20 5 CFBDRO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672420 375138091 /nfs/dbraw/zinc/13/80/91/375138091.db2.gz FQADMQIJJVVPTD-WCQYABFASA-N 1 0 275.352 2.940 20 5 CFBDRO CCc1nn(C)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092856100 375165955 /nfs/dbraw/zinc/16/59/55/375165955.db2.gz INXPYKKLIOIREQ-NSHDSACASA-N 1 0 288.351 2.742 20 5 CFBDRO COC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093337472 375215624 /nfs/dbraw/zinc/21/56/24/375215624.db2.gz DUDZVICRIQAUST-LHRNQBEKSA-N 1 0 290.363 2.966 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093838736 375318575 /nfs/dbraw/zinc/31/85/75/375318575.db2.gz VWVAWWMWPGDJPV-HZRUHFOJSA-N 1 0 290.363 2.966 20 5 CFBDRO CC[C@@H](CCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000094948304 375394992 /nfs/dbraw/zinc/39/49/92/375394992.db2.gz KRZFQDOYFYCCOD-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO CC[C@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000094954010 375396904 /nfs/dbraw/zinc/39/69/04/375396904.db2.gz GGALNODVDDMUOS-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000094473071 375362420 /nfs/dbraw/zinc/36/24/20/375362420.db2.gz VWTVNKQRZKTVHV-ONGXEEELSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771866 375377599 /nfs/dbraw/zinc/37/75/99/375377599.db2.gz OCDNKCCVSPEIPC-JTQLQIEISA-N 1 0 291.355 2.613 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268576 375484144 /nfs/dbraw/zinc/48/41/44/375484144.db2.gz DRINAABIZGHVIV-INIZCTEOSA-N 1 0 289.379 2.513 20 5 CFBDRO CC(C)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112655151 375940859 /nfs/dbraw/zinc/94/08/59/375940859.db2.gz OZKHUSYAOCVPOY-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000112660126 375941167 /nfs/dbraw/zinc/94/11/67/375941167.db2.gz KYRLBVDQJBVNRU-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO CCCCC[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000114563083 376074751 /nfs/dbraw/zinc/07/47/51/376074751.db2.gz OVMLDQUCBNZKCH-UHFFFAOYSA-N 1 0 280.368 2.622 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C2CCOCC2)cccc1[N+](=O)[O-] ZINC000119026167 376337961 /nfs/dbraw/zinc/33/79/61/376337961.db2.gz IDJIPTHVIQRPEP-LLVKDONJSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C2CCOCC2)cccc1[N+](=O)[O-] ZINC000119026236 376338261 /nfs/dbraw/zinc/33/82/61/376338261.db2.gz IDJIPTHVIQRPEP-NSHDSACASA-N 1 0 264.325 2.733 20 5 CFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000118415049 376296108 /nfs/dbraw/zinc/29/61/08/376296108.db2.gz JXKZVLRJUIPPHT-NEPJUHHUSA-N 1 0 280.393 2.963 20 5 CFBDRO C[C@@H]1SCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118419788 376297691 /nfs/dbraw/zinc/29/76/91/376297691.db2.gz ZYECARBVOACRHO-RYUDHWBXSA-N 1 0 296.392 2.799 20 5 CFBDRO CC(C)[NH+]1CCC(N(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000263766950 190077049 /nfs/dbraw/zinc/07/70/49/190077049.db2.gz VVEZXRMDEFEBTN-UHFFFAOYSA-N 1 0 297.424 2.961 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122528268 376932638 /nfs/dbraw/zinc/93/26/38/376932638.db2.gz FRCLSMPHKLUJIY-VIFPVBQESA-N 1 0 270.716 2.627 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127642144 377294807 /nfs/dbraw/zinc/29/48/07/377294807.db2.gz BYBKHCDCWRUGBY-STQMWFEESA-N 1 0 279.384 2.976 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000130242212 377525046 /nfs/dbraw/zinc/52/50/46/377525046.db2.gz RPZCKQLDPFPDNJ-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000265498969 190186665 /nfs/dbraw/zinc/18/66/65/190186665.db2.gz OWZLXDIGNIYKTB-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131084594 377654516 /nfs/dbraw/zinc/65/45/16/377654516.db2.gz CVOUJDQDKDAUOT-RYUDHWBXSA-N 1 0 277.368 2.728 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000131101172 377659320 /nfs/dbraw/zinc/65/93/20/377659320.db2.gz JVSOUMKDDIXTCU-ZIAGYGMSSA-N 1 0 266.341 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCOC(C)C ZINC000265847294 190212366 /nfs/dbraw/zinc/21/23/66/190212366.db2.gz HMKPNZQVISXBNV-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131680905 377746854 /nfs/dbraw/zinc/74/68/54/377746854.db2.gz SOZWUYZQNDSXFM-LBPRGKRZSA-N 1 0 293.342 2.656 20 5 CFBDRO CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000135105102 378083253 /nfs/dbraw/zinc/08/32/53/378083253.db2.gz LNCOKPHHUKSHGS-CQSZACIVSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@@H]([NH2+]CCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000134821833 378052003 /nfs/dbraw/zinc/05/20/03/378052003.db2.gz QYXHOQJPTLQIPI-GFCCVEGCSA-N 1 0 274.324 2.532 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CC1 ZINC000135302785 378113302 /nfs/dbraw/zinc/11/33/02/378113302.db2.gz DJCKNARZXYEWBS-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO CSC[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000135447233 378133228 /nfs/dbraw/zinc/13/32/28/378133228.db2.gz BRZPEZVSEPFUIA-CQSZACIVSA-N 1 0 280.393 2.965 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135470385 378136395 /nfs/dbraw/zinc/13/63/95/378136395.db2.gz HIOUSEJXAVOABE-DMDPSCGWSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136807178 378210575 /nfs/dbraw/zinc/21/05/75/378210575.db2.gz CUVSNGIVJMIVNB-UGFHNGPFSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136998356 378215277 /nfs/dbraw/zinc/21/52/77/378215277.db2.gz SPHAOAPNTDIFON-SUNKGSAMSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150834287 378275802 /nfs/dbraw/zinc/27/58/02/378275802.db2.gz KMDITWRFPPAGMI-HNNXBMFYSA-N 1 0 289.379 2.513 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCSCCCO)cc1[N+](=O)[O-] ZINC000151201756 378306429 /nfs/dbraw/zinc/30/64/29/378306429.db2.gz LXIXSFCJBNSCGE-GFCCVEGCSA-N 1 0 298.408 2.669 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000153360910 378488176 /nfs/dbraw/zinc/48/81/76/378488176.db2.gz RGHOVDZXXODPQA-OKILXGFUSA-N 1 0 260.337 2.869 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153683953 378503649 /nfs/dbraw/zinc/50/36/49/378503649.db2.gz HVLPYOCBCFDYGF-UHFFFAOYSA-N 1 0 298.774 2.610 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154438773 378568204 /nfs/dbraw/zinc/56/82/04/378568204.db2.gz HQNVFVUIPWUNTH-AWEZNQCLSA-N 1 0 278.352 2.639 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331499466 378697056 /nfs/dbraw/zinc/69/70/56/378697056.db2.gz NSAYKZHCVZVETN-JTQLQIEISA-N 1 0 274.324 2.846 20 5 CFBDRO CC(C)(C)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000331311472 378667353 /nfs/dbraw/zinc/66/73/53/378667353.db2.gz GXORYMTVQPBKJL-OAHLLOKOSA-N 1 0 292.379 2.884 20 5 CFBDRO CC1CC[NH+](CCSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000160151364 378752343 /nfs/dbraw/zinc/75/23/43/378752343.db2.gz ZFQKNFBOQTZGOT-UHFFFAOYSA-N 1 0 281.381 2.814 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000266239393 190242527 /nfs/dbraw/zinc/24/25/27/190242527.db2.gz LAFDTUCSSLRYEM-ZJUUUORDSA-N 1 0 298.774 2.562 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278584688 194056548 /nfs/dbraw/zinc/05/65/48/194056548.db2.gz DLVMZLXDCJODOT-KOLCDFICSA-N 1 0 274.324 2.749 20 5 CFBDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000166115925 379048562 /nfs/dbraw/zinc/04/85/62/379048562.db2.gz NFAOSNJYFZHURO-VHSXEESVSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000169020557 379103608 /nfs/dbraw/zinc/10/36/08/379103608.db2.gz RPCASDIZZBDAKB-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266761210 190279342 /nfs/dbraw/zinc/27/93/42/190279342.db2.gz GQGJURMBGUWAAS-MFKMUULPSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000266886444 190287813 /nfs/dbraw/zinc/28/78/13/190287813.db2.gz CFDLFTBZUITMBF-ZDUSSCGKSA-N 1 0 292.364 2.690 20 5 CFBDRO C[C@H]([NH2+]CCOC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000266788876 190281206 /nfs/dbraw/zinc/28/12/06/190281206.db2.gz OTLQBOLAGZGILJ-NSHDSACASA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1noc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000266822876 190282877 /nfs/dbraw/zinc/28/28/77/190282877.db2.gz ZVHQPEYVYXFUCG-SNVBAGLBSA-N 1 0 290.323 2.570 20 5 CFBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266915200 190289965 /nfs/dbraw/zinc/28/99/65/190289965.db2.gz MRNXMSPRIYRJCN-ZDUSSCGKSA-N 1 0 288.351 2.527 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267063491 190300394 /nfs/dbraw/zinc/30/03/94/190300394.db2.gz UGERMZIOVZDIHQ-LSDHHAIUSA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCOC1 ZINC000267464654 190332410 /nfs/dbraw/zinc/33/24/10/190332410.db2.gz WCIMWSRMVCDUHV-VXGBXAGGSA-N 1 0 264.325 2.624 20 5 CFBDRO CSCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249101 379850205 /nfs/dbraw/zinc/85/02/05/379850205.db2.gz HSJPEWMJHAIGIC-UHFFFAOYSA-N 1 0 296.392 2.801 20 5 CFBDRO C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173986395 379811169 /nfs/dbraw/zinc/81/11/69/379811169.db2.gz DEIFZJOWUGTCRH-VIFPVBQESA-N 1 0 297.742 2.671 20 5 CFBDRO C[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174605849 379917732 /nfs/dbraw/zinc/91/77/32/379917732.db2.gz WSKYQDQDIHMJHE-SNVBAGLBSA-N 1 0 292.360 2.794 20 5 CFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267799758 190355468 /nfs/dbraw/zinc/35/54/68/190355468.db2.gz KOKJWHUSPCHPNG-IJLUTSLNSA-N 1 0 291.351 2.510 20 5 CFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1Cl ZINC000176194188 380191756 /nfs/dbraw/zinc/19/17/56/380191756.db2.gz CRYRZGDGSLISTH-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268278583 190392021 /nfs/dbraw/zinc/39/20/21/190392021.db2.gz VTXARGXXQDCGTG-ZDUSSCGKSA-N 1 0 292.383 2.688 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@H]2C)n1 ZINC000178172474 380418068 /nfs/dbraw/zinc/41/80/68/380418068.db2.gz NLCBDUUUZFWUQK-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000178640436 380473380 /nfs/dbraw/zinc/47/33/80/380473380.db2.gz UZIOPOGKVYGTGN-UHFFFAOYSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCSC2)c(F)c1 ZINC000336791838 380639492 /nfs/dbraw/zinc/63/94/92/380639492.db2.gz PGOCREGNQOLMJW-SECBINFHSA-N 1 0 270.329 2.577 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCSC2)c(F)c1 ZINC000336793477 380641589 /nfs/dbraw/zinc/64/15/89/380641589.db2.gz WWFNSBGECIINHO-SNVBAGLBSA-N 1 0 270.329 2.719 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000279165747 194313608 /nfs/dbraw/zinc/31/36/08/194313608.db2.gz UJCLDQNRQUSSEC-RYUDHWBXSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1ccncc1COc1ccc([N+](=O)[O-])cc1 ZINC000341186418 380820785 /nfs/dbraw/zinc/82/07/85/380820785.db2.gz YOHXONKSCZXOEH-UHFFFAOYSA-N 1 0 260.249 2.577 20 5 CFBDRO Cc1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402107959 380882193 /nfs/dbraw/zinc/88/21/93/380882193.db2.gz YDBZZUCCTZZKRH-CYBMUJFWSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000368097471 380921810 /nfs/dbraw/zinc/92/18/10/380921810.db2.gz JYMHCFFXORQRDY-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(OCCC[NH+]2CCCCC2)n1 ZINC000341368149 380970382 /nfs/dbraw/zinc/97/03/82/380970382.db2.gz UAWPHJGFHNRFRY-UHFFFAOYSA-N 1 0 293.367 2.861 20 5 CFBDRO C[NH+](C)CCN(Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000347155378 380973801 /nfs/dbraw/zinc/97/38/01/380973801.db2.gz KXGRNORLDXSNLW-UHFFFAOYSA-N 1 0 289.335 2.756 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000279292066 194370171 /nfs/dbraw/zinc/37/01/71/194370171.db2.gz PKKRJKMRDBHMCL-NWDGAFQWSA-N 1 0 264.325 2.752 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000279319661 194383247 /nfs/dbraw/zinc/38/32/47/194383247.db2.gz SEBMUXVBGQYSJE-OCCSQVGLSA-N 1 0 278.352 2.544 20 5 CFBDRO C[N@H+](CCNc1nccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000295641809 380991394 /nfs/dbraw/zinc/99/13/94/380991394.db2.gz YLCRLJNFYNUJJD-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000279319664 194382996 /nfs/dbraw/zinc/38/29/96/194382996.db2.gz SEBMUXVBGQYSJE-TZMCWYRMSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411935432 381062918 /nfs/dbraw/zinc/06/29/18/381062918.db2.gz HZOJHTRLZLEHTM-NVXWUHKLSA-N 1 0 298.342 2.903 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341529055 381067245 /nfs/dbraw/zinc/06/72/45/381067245.db2.gz HIBHHRPWVFCMIH-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411949009 381069123 /nfs/dbraw/zinc/06/91/23/381069123.db2.gz QEJOXYJAEJFJAN-SJORKVTESA-N 1 0 298.342 2.903 20 5 CFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411952716 381071313 /nfs/dbraw/zinc/07/13/13/381071313.db2.gz RIRVJIBUFBZOBU-XHDPSFHLSA-N 1 0 278.352 2.888 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000412024585 381098610 /nfs/dbraw/zinc/09/86/10/381098610.db2.gz ZPYHLROXQNNFCK-NSHDSACASA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183049673 381203941 /nfs/dbraw/zinc/20/39/41/381203941.db2.gz JVPOCQHNOHMAKP-PWSUYJOCSA-N 1 0 293.367 2.866 20 5 CFBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000289910165 381213159 /nfs/dbraw/zinc/21/31/59/381213159.db2.gz USCCORNUMYSSJG-NSHDSACASA-N 1 0 272.732 2.763 20 5 CFBDRO CC[C@@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000359082203 381253489 /nfs/dbraw/zinc/25/34/89/381253489.db2.gz LLPWTQOUQANPFB-ZDUSSCGKSA-N 1 0 292.383 2.893 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000359084497 381255425 /nfs/dbraw/zinc/25/54/25/381255425.db2.gz RBUKELKIBGVHPR-GXFFZTMASA-N 1 0 290.367 2.501 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359086010 381256775 /nfs/dbraw/zinc/25/67/75/381256775.db2.gz UUVFYGZJTVKBLJ-GFCCVEGCSA-N 1 0 280.372 2.749 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@H]2C)n1 ZINC000359086523 381257031 /nfs/dbraw/zinc/25/70/31/381257031.db2.gz VGDABDNJURSKFP-CYBMUJFWSA-N 1 0 292.383 2.893 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CCOCC1 ZINC000183337657 381258098 /nfs/dbraw/zinc/25/80/98/381258098.db2.gz KOWJJYIJNCXQDT-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000347617265 381259336 /nfs/dbraw/zinc/25/93/36/381259336.db2.gz NSXBVTJJXBQJSJ-RYUDHWBXSA-N 1 0 294.399 2.975 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCOCC12CCC2 ZINC000183356428 381260357 /nfs/dbraw/zinc/26/03/57/381260357.db2.gz IMMFRDNOROEDNB-UHFFFAOYSA-N 1 0 276.336 2.658 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cs1 ZINC000342235912 381227972 /nfs/dbraw/zinc/22/79/72/381227972.db2.gz AMUPBGIYQRWNJL-WDEREUQCSA-N 1 0 284.381 2.545 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000342275000 381241517 /nfs/dbraw/zinc/24/15/17/381241517.db2.gz IUACHFHFJNGFJO-MNOVXSKESA-N 1 0 298.314 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000347667928 381287188 /nfs/dbraw/zinc/28/71/88/381287188.db2.gz HLFJRSIMPXSRLH-INIZCTEOSA-N 1 0 290.363 2.986 20 5 CFBDRO CC(=O)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000347669611 381287313 /nfs/dbraw/zinc/28/73/13/381287313.db2.gz FFFYSYXEPHURPO-UHFFFAOYSA-N 1 0 291.351 2.695 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000347688667 381298956 /nfs/dbraw/zinc/29/89/56/381298956.db2.gz RDBSCHSMKDWICO-OAHLLOKOSA-N 1 0 290.363 2.986 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290043356 381275903 /nfs/dbraw/zinc/27/59/03/381275903.db2.gz DQOKJJNODGZWPV-XQQFMLRXSA-N 1 0 280.368 2.929 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290214441 381344772 /nfs/dbraw/zinc/34/47/72/381344772.db2.gz QFUCCOAJUFXBQW-ABAIWWIYSA-N 1 0 278.352 2.797 20 5 CFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000354590141 381356048 /nfs/dbraw/zinc/35/60/48/381356048.db2.gz ZRDMEEFGCAUXRC-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184253722 381393969 /nfs/dbraw/zinc/39/39/69/381393969.db2.gz RGXIDJOZOBUFDA-SECBINFHSA-N 1 0 270.304 2.973 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](O)CC1 ZINC000354744989 381433206 /nfs/dbraw/zinc/43/32/06/381433206.db2.gz IVVDUSHQMJCNGF-DDKJEQMHSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296861407 381546519 /nfs/dbraw/zinc/54/65/19/381546519.db2.gz YWVHXJWOLUDIAA-SUNKGSAMSA-N 1 0 264.325 2.813 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000348435537 381569506 /nfs/dbraw/zinc/56/95/06/381569506.db2.gz BVQNPMVZXYNUQD-AWEZNQCLSA-N 1 0 296.367 2.754 20 5 CFBDRO C[C@H]1[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342828052 381572144 /nfs/dbraw/zinc/57/21/44/381572144.db2.gz AQDBRSOFHLATJS-ONGXEEELSA-N 1 0 267.304 2.629 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000348542118 381619771 /nfs/dbraw/zinc/61/97/71/381619771.db2.gz ATMCFGHRSHUKHH-ORVLFJDJSA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355112139 381619958 /nfs/dbraw/zinc/61/99/58/381619958.db2.gz NDWHYVUTBOZSFM-KGLIPLIRSA-N 1 0 276.336 2.596 20 5 CFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000348545183 381624623 /nfs/dbraw/zinc/62/46/23/381624623.db2.gz SRSRZXNWMQMKIT-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355141436 381639416 /nfs/dbraw/zinc/63/94/16/381639416.db2.gz YERAVSNYURFXRL-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000355144889 381642642 /nfs/dbraw/zinc/64/26/42/381642642.db2.gz AFXIWFYWFFPGOV-UHFFFAOYSA-N 1 0 294.351 2.582 20 5 CFBDRO COc1cccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000185524586 381656454 /nfs/dbraw/zinc/65/64/54/381656454.db2.gz OFVJHIYHDRUCGH-NEPJUHHUSA-N 1 0 293.367 2.888 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185499285 381651146 /nfs/dbraw/zinc/65/11/46/381651146.db2.gz HQFMDMIJYWZSCA-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000291135043 381679027 /nfs/dbraw/zinc/67/90/27/381679027.db2.gz NKTUXUYTEDHFAM-LLVKDONJSA-N 1 0 280.372 2.709 20 5 CFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616553 381683986 /nfs/dbraw/zinc/68/39/86/381683986.db2.gz QTWZJDPDHPYJRR-DGCLKSJQSA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000343404248 381689718 /nfs/dbraw/zinc/68/97/18/381689718.db2.gz QTEAQHBCWADNOZ-HZPDHXFCSA-N 1 0 299.330 2.610 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415057469 381743108 /nfs/dbraw/zinc/74/31/08/381743108.db2.gz UIAZFEFYXYCGTH-OLZOCXBDSA-N 1 0 295.408 2.620 20 5 CFBDRO [NH3+]CCN(Cc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348891562 381755612 /nfs/dbraw/zinc/75/56/12/381755612.db2.gz HLSJEQBLOUKKLK-UHFFFAOYSA-N 1 0 289.310 2.699 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[NH3+])C1CCCC1 ZINC000415071995 381756216 /nfs/dbraw/zinc/75/62/16/381756216.db2.gz XGYLPTJTIAPPCA-OAHLLOKOSA-N 1 0 277.368 2.510 20 5 CFBDRO CCC[C@H](C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348889197 381756525 /nfs/dbraw/zinc/75/65/25/381756525.db2.gz CILSMALRWRSVHH-LBPRGKRZSA-N 1 0 265.357 2.796 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415030847 381721727 /nfs/dbraw/zinc/72/17/27/381721727.db2.gz CVXDFCWNRIHFIU-HNNXBMFYSA-N 1 0 291.395 2.948 20 5 CFBDRO Cc1ccc(CN(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000348903908 381760231 /nfs/dbraw/zinc/76/02/31/381760231.db2.gz IPOVSTGSAZUGRA-UHFFFAOYSA-N 1 0 293.411 2.923 20 5 CFBDRO Cc1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348904436 381762681 /nfs/dbraw/zinc/76/26/81/381762681.db2.gz MTGLDNFEOGJGNO-UHFFFAOYSA-N 1 0 285.347 2.869 20 5 CFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415411205 381840677 /nfs/dbraw/zinc/84/06/77/381840677.db2.gz BCNPNHCMGGFFLW-GFCCVEGCSA-N 1 0 294.355 2.542 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343616690 381843627 /nfs/dbraw/zinc/84/36/27/381843627.db2.gz ZNCPDKOHBQUTKK-SKDRFNHKSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@@H]1[C@H](C)N(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000349210974 381849935 /nfs/dbraw/zinc/84/99/35/381849935.db2.gz FHNDVKFLCSDKPN-ZJUUUORDSA-N 1 0 283.759 2.777 20 5 CFBDRO Cc1ccnc(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000292850485 381864630 /nfs/dbraw/zinc/86/46/30/381864630.db2.gz RGRFFNHXVINQPP-UHFFFAOYSA-N 1 0 292.383 2.976 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)C2CCCCC2)cs1 ZINC000292863213 381870409 /nfs/dbraw/zinc/87/04/09/381870409.db2.gz AUXDKTASKUGKRG-CYBMUJFWSA-N 1 0 298.408 2.935 20 5 CFBDRO C[N@H+](Cc1ccc(O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349362211 381908844 /nfs/dbraw/zinc/90/88/44/381908844.db2.gz CJVQUKIWDOQQTA-UHFFFAOYSA-N 1 0 272.304 2.932 20 5 CFBDRO C[N@H+](Cc1ccc(O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000349383970 381920417 /nfs/dbraw/zinc/92/04/17/381920417.db2.gz NQYKVPBIEJTFIU-UHFFFAOYSA-N 1 0 272.304 2.932 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3C=CCCC3)CC2)n1 ZINC000373237821 381957754 /nfs/dbraw/zinc/95/77/54/381957754.db2.gz VGRNXMRNZMFROE-LBPRGKRZSA-N 1 0 276.340 2.537 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H]1C ZINC000292993592 381940634 /nfs/dbraw/zinc/94/06/34/381940634.db2.gz MKOAQVMJOGYWBW-NWDGAFQWSA-N 1 0 291.351 2.572 20 5 CFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000343874728 381996454 /nfs/dbraw/zinc/99/64/54/381996454.db2.gz QABIOHIDIGIECZ-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H](O)CC1 ZINC000293167187 382014138 /nfs/dbraw/zinc/01/41/38/382014138.db2.gz PAKQESARJIMEAJ-GFCCVEGCSA-N 1 0 284.743 2.595 20 5 CFBDRO CCN(C)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417336312 382045261 /nfs/dbraw/zinc/04/52/61/382045261.db2.gz HNDXKFLGMVELSF-INIZCTEOSA-N 1 0 291.395 2.904 20 5 CFBDRO CCCCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299732915 382040152 /nfs/dbraw/zinc/04/01/52/382040152.db2.gz YBQMCJJMDDDTTK-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO CCn1cncc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417957289 382098910 /nfs/dbraw/zinc/09/89/10/382098910.db2.gz JIULZMIKSZTDCS-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301282988 382134761 /nfs/dbraw/zinc/13/47/61/382134761.db2.gz PHVNMEJYSDQTFT-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1ccnc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301293848 382139988 /nfs/dbraw/zinc/13/99/88/382139988.db2.gz OLGCTYHCWMPSGK-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO CCC1(CC)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362595117 382164323 /nfs/dbraw/zinc/16/43/23/382164323.db2.gz ZZAHNJMXFQQDCD-UHFFFAOYSA-N 1 0 280.372 2.731 20 5 CFBDRO COC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000352228110 382236109 /nfs/dbraw/zinc/23/61/09/382236109.db2.gz VNGBHIHPSILJPO-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419332514 382289318 /nfs/dbraw/zinc/28/93/18/382289318.db2.gz SQLSZASRBJSCAF-VXGBXAGGSA-N 1 0 294.399 2.975 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419332511 382289647 /nfs/dbraw/zinc/28/96/47/382289647.db2.gz SQLSZASRBJSCAF-NEPJUHHUSA-N 1 0 294.399 2.975 20 5 CFBDRO C[C@@H]1CCCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187935136 382303291 /nfs/dbraw/zinc/30/32/91/382303291.db2.gz QRBXNSWTVLPHEL-GFCCVEGCSA-N 1 0 291.351 2.655 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000357778547 382316110 /nfs/dbraw/zinc/31/61/10/382316110.db2.gz DIYLXGSOICJSKU-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000302821500 382326584 /nfs/dbraw/zinc/32/65/84/382326584.db2.gz QSBUKBVFDCZDSZ-ZDUSSCGKSA-N 1 0 293.342 2.799 20 5 CFBDRO C[NH2+][C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420287859 382341883 /nfs/dbraw/zinc/34/18/83/382341883.db2.gz GREVNWYRSLKXEJ-OLZOCXBDSA-N 1 0 277.368 2.648 20 5 CFBDRO CO[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000293833194 382297480 /nfs/dbraw/zinc/29/74/80/382297480.db2.gz XERJWZXUEYWNIU-HOTGVXAUSA-N 1 0 290.363 2.987 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188135167 382352787 /nfs/dbraw/zinc/35/27/87/382352787.db2.gz YWBMPYLBHKXWKT-SMDDNHRTSA-N 1 0 278.352 2.540 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420306338 382355456 /nfs/dbraw/zinc/35/54/56/382355456.db2.gz ASULOTKDBJDGGG-WOSRLPQWSA-N 1 0 289.379 2.648 20 5 CFBDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293981730 382364169 /nfs/dbraw/zinc/36/41/69/382364169.db2.gz BKLQGQHHXRHKNO-MRVPVSSYSA-N 1 0 285.294 2.873 20 5 CFBDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000352563250 382397205 /nfs/dbraw/zinc/39/72/05/382397205.db2.gz RWXSHGFIHCEHOC-QMMMGPOBSA-N 1 0 278.230 2.782 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420345541 382377432 /nfs/dbraw/zinc/37/74/32/382377432.db2.gz ZSPIXQWQLIDUMO-SWLSCSKDSA-N 1 0 295.358 2.598 20 5 CFBDRO COc1cc(CN2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352540544 382386471 /nfs/dbraw/zinc/38/64/71/382386471.db2.gz MMZYVAUGQSVKTD-JTQLQIEISA-N 1 0 282.365 2.541 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000352642805 382429481 /nfs/dbraw/zinc/42/94/81/382429481.db2.gz KDZORVNFMONHNY-GFCCVEGCSA-N 1 0 294.351 2.986 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352659567 382436877 /nfs/dbraw/zinc/43/68/77/382436877.db2.gz OALJUEYTPUGROS-AAEUAGOBSA-N 1 0 284.743 2.593 20 5 CFBDRO CCOc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420637466 382438226 /nfs/dbraw/zinc/43/82/26/382438226.db2.gz OPLVEVWJGMNYEI-ZDUSSCGKSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305805633 382447029 /nfs/dbraw/zinc/44/70/29/382447029.db2.gz GDKRADDVPSZYJI-XUJVJEKNSA-N 1 0 278.352 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000352617477 382419176 /nfs/dbraw/zinc/41/91/76/382419176.db2.gz DFXOQWCCNOFHCB-SWLSCSKDSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352701977 382449956 /nfs/dbraw/zinc/44/99/56/382449956.db2.gz WYWLOWNEXKBAFK-DDTOSNHZSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1cc(NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000308645740 382484330 /nfs/dbraw/zinc/48/43/30/382484330.db2.gz BDRPNMFJYZKMMQ-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO CCC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000308739863 382486859 /nfs/dbraw/zinc/48/68/59/382486859.db2.gz NUVGNSXMXIHPFJ-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCOC1 ZINC000346868069 382551866 /nfs/dbraw/zinc/55/18/66/382551866.db2.gz QWPNONWCBFGVEA-KBPBESRZSA-N 1 0 292.379 2.932 20 5 CFBDRO COC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358309229 382561993 /nfs/dbraw/zinc/56/19/93/382561993.db2.gz UHMQXNHKEWPFNJ-YDHLFZDLSA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000295050990 382567825 /nfs/dbraw/zinc/56/78/25/382567825.db2.gz QHMOXXZUPNXPTJ-XHDPSFHLSA-N 1 0 278.352 2.979 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000366640390 382537306 /nfs/dbraw/zinc/53/73/06/382537306.db2.gz UIVSGWDXNLEHPE-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000358356720 382585257 /nfs/dbraw/zinc/58/52/57/382585257.db2.gz PLXDEGIXHXBDRH-HIFRSBDPSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000358360084 382586844 /nfs/dbraw/zinc/58/68/44/382586844.db2.gz VGLJMAHMTBUYMN-KGLIPLIRSA-N 1 0 294.395 2.914 20 5 CFBDRO CCC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000295226012 382592439 /nfs/dbraw/zinc/59/24/39/382592439.db2.gz RYZYBOOHVVCOGL-NSHDSACASA-N 1 0 266.341 2.581 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358375178 382593561 /nfs/dbraw/zinc/59/35/61/382593561.db2.gz PLQWHSBEGQLDNF-WPRPVWTQSA-N 1 0 292.257 2.559 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000189352952 382597524 /nfs/dbraw/zinc/59/75/24/382597524.db2.gz XTDFCNGBUBTVMK-GJZGRUSLSA-N 1 0 292.379 2.967 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000388283407 382605370 /nfs/dbraw/zinc/60/53/70/382605370.db2.gz OBIBVPOIGJELQT-OTYXRUKQSA-N 1 0 282.315 2.637 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000189928018 382645446 /nfs/dbraw/zinc/64/54/46/382645446.db2.gz ZKPIVPIXOCYEQQ-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2C3CCC2CC3)c(F)c1 ZINC000398939530 382636776 /nfs/dbraw/zinc/63/67/76/382636776.db2.gz KFNLVSGJJPIPAY-UHFFFAOYSA-N 1 0 250.273 2.861 20 5 CFBDRO C[C@@H]1CCSCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191815025 382702706 /nfs/dbraw/zinc/70/27/06/382702706.db2.gz HVEUOQGEGSTSTA-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858509 382713002 /nfs/dbraw/zinc/71/30/02/382713002.db2.gz RWJGIZSYIDRKQR-ZFWWWQNUSA-N 1 0 278.352 2.723 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000336833529 382727507 /nfs/dbraw/zinc/72/75/07/382727507.db2.gz OLTPIACYXJVYRG-UHFFFAOYSA-N 1 0 282.315 2.640 20 5 CFBDRO C[N@H+](CCNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000214747881 382777112 /nfs/dbraw/zinc/77/71/12/382777112.db2.gz UAIXVGQHOUDEEM-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO COc1cc(NCC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000218843210 382790904 /nfs/dbraw/zinc/79/09/04/382790904.db2.gz WBIAZVOVUGBTFG-UHFFFAOYSA-N 1 0 297.330 2.640 20 5 CFBDRO CC[NH+]1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000218830158 382790990 /nfs/dbraw/zinc/79/09/90/382790990.db2.gz AOQWITYAZITHCB-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO COCCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000228443457 382847077 /nfs/dbraw/zinc/84/70/77/382847077.db2.gz AREVNFVMLYUEFS-UHFFFAOYSA-N 1 0 275.308 2.900 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCOCC1 ZINC000577231473 382852753 /nfs/dbraw/zinc/85/27/53/382852753.db2.gz LJVRQAHPNNENDO-SMDDNHRTSA-N 1 0 276.336 2.741 20 5 CFBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337339388 382805317 /nfs/dbraw/zinc/80/53/17/382805317.db2.gz RJLHSSWXEUMZAK-UHFFFAOYSA-N 1 0 291.351 2.796 20 5 CFBDRO CN(CCC[NH+](C)C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000576054378 382808899 /nfs/dbraw/zinc/80/88/99/382808899.db2.gz PXWRLOGHKYOUCV-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000224202535 382809551 /nfs/dbraw/zinc/80/95/51/382809551.db2.gz BDTFDIZHQQKTRL-OCCSQVGLSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000337456971 382824237 /nfs/dbraw/zinc/82/42/37/382824237.db2.gz IIIFAQKZMVWRIZ-SMDDNHRTSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000226386912 382827784 /nfs/dbraw/zinc/82/77/84/382827784.db2.gz DDZZOFRPQOMNCJ-QWRGUYRKSA-N 1 0 266.366 2.999 20 5 CFBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227372407 382836758 /nfs/dbraw/zinc/83/67/58/382836758.db2.gz NHCIJQIPIHPAIX-SNVBAGLBSA-N 1 0 272.370 2.543 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227713466 382840095 /nfs/dbraw/zinc/84/00/95/382840095.db2.gz XVMLCBZWXNQCQU-LSDHHAIUSA-N 1 0 296.367 2.687 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227890074 382842199 /nfs/dbraw/zinc/84/21/99/382842199.db2.gz GANBEMFEMQIIKV-VIFPVBQESA-N 1 0 285.294 2.627 20 5 CFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000493883995 382906570 /nfs/dbraw/zinc/90/65/70/382906570.db2.gz USNFTGCFDGFSFL-JTQLQIEISA-N 1 0 284.743 2.859 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1cccnc1)C2 ZINC000533799912 382911222 /nfs/dbraw/zinc/91/12/22/382911222.db2.gz AXMRFAUKEHJKSE-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCCC1 ZINC000578205442 382900922 /nfs/dbraw/zinc/90/09/22/382900922.db2.gz QJUNFRREXGAKJQ-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NCC12CCC[NH+]1CCC2 ZINC000578210896 382901771 /nfs/dbraw/zinc/90/17/71/382901771.db2.gz NCFCRRUUWQJEEG-UHFFFAOYSA-N 1 0 279.315 2.774 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443065930 382965208 /nfs/dbraw/zinc/96/52/08/382965208.db2.gz GWPPWVJVOLKEQS-TZMCWYRMSA-N 1 0 278.352 2.903 20 5 CFBDRO Cc1ccc(CN2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000338145818 382934242 /nfs/dbraw/zinc/93/42/42/382934242.db2.gz GTOQWWNFDUFFSV-UHFFFAOYSA-N 1 0 291.395 2.677 20 5 CFBDRO CC(C)OC1CC([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000579444483 383017376 /nfs/dbraw/zinc/01/73/76/383017376.db2.gz ZCARVVPHCSUTHU-UHFFFAOYSA-N 1 0 290.363 2.909 20 5 CFBDRO CSCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538560 382997286 /nfs/dbraw/zinc/99/72/86/382997286.db2.gz CAHUAROPIVGARG-NWDGAFQWSA-N 1 0 298.412 2.618 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCO1 ZINC000245394496 382999172 /nfs/dbraw/zinc/99/91/72/382999172.db2.gz FSGRXURXMOBMDD-BXUZGUMPSA-N 1 0 264.325 2.767 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000338481060 383018312 /nfs/dbraw/zinc/01/83/12/383018312.db2.gz QFQSJEGJYCPKRZ-GFCCVEGCSA-N 1 0 282.365 2.587 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000447801921 383008106 /nfs/dbraw/zinc/00/81/06/383008106.db2.gz FSSITGFYTFTBKJ-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000552040450 383067198 /nfs/dbraw/zinc/06/71/98/383067198.db2.gz LMEYZPLCGAQKIS-LSDHHAIUSA-N 1 0 278.352 2.998 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000423369075 383067625 /nfs/dbraw/zinc/06/76/25/383067625.db2.gz SFNWGZURVUSMNG-JKOKRWQUSA-N 1 0 277.368 2.552 20 5 CFBDRO CC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372722 383069862 /nfs/dbraw/zinc/06/98/62/383069862.db2.gz IPIIWINQKKAAGZ-KYOSRNDESA-N 1 0 277.368 2.776 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000246447329 383077002 /nfs/dbraw/zinc/07/70/02/383077002.db2.gz PALFVURFXUJQQI-YUELXQCFSA-N 1 0 294.399 2.842 20 5 CFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000447899822 383027439 /nfs/dbraw/zinc/02/74/39/383027439.db2.gz XCMPNOJYMFMNMD-OAHLLOKOSA-N 1 0 291.395 2.805 20 5 CFBDRO COC1(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000339016240 383122460 /nfs/dbraw/zinc/12/24/60/383122460.db2.gz YZAZUASBSPWTTN-UHFFFAOYSA-N 1 0 290.363 2.912 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246937310 383123981 /nfs/dbraw/zinc/12/39/81/383123981.db2.gz JIXNHJDEADKHIQ-NJZAAPMLSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423467356 383106901 /nfs/dbraw/zinc/10/69/01/383106901.db2.gz DSYHJKZAPIRXSS-GXFFZTMASA-N 1 0 299.321 2.551 20 5 CFBDRO CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423478675 383112233 /nfs/dbraw/zinc/11/22/33/383112233.db2.gz NOHMHBZERRLZLS-CHWSQXEVSA-N 1 0 299.321 2.633 20 5 CFBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222229 285009416 /nfs/dbraw/zinc/00/94/16/285009416.db2.gz PXAJXHIHIIPVLV-VXGBXAGGSA-N 1 0 266.341 2.667 20 5 CFBDRO CCN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449065780 383158917 /nfs/dbraw/zinc/15/89/17/383158917.db2.gz WEOUBEHBNIVHRM-ZDUSSCGKSA-N 1 0 291.395 2.600 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1F ZINC000339585912 383254528 /nfs/dbraw/zinc/25/45/28/383254528.db2.gz CVFAUUAIGLPLKB-OLZOCXBDSA-N 1 0 252.289 2.883 20 5 CFBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449391077 383259729 /nfs/dbraw/zinc/25/97/29/383259729.db2.gz HPULRSMUXCSBQL-OAHLLOKOSA-N 1 0 278.352 2.762 20 5 CFBDRO CC[NH+](CC)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567405938 383272548 /nfs/dbraw/zinc/27/25/48/383272548.db2.gz AUHJLVRDDIWEJZ-OAHLLOKOSA-N 1 0 291.395 2.904 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCCO ZINC000449409753 383273012 /nfs/dbraw/zinc/27/30/12/383273012.db2.gz VWLKLZLTWRXZIB-QWHCGFSZSA-N 1 0 280.368 2.524 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000339506707 383222950 /nfs/dbraw/zinc/22/29/50/383222950.db2.gz NGZAGMXUUQNEMN-UHFFFAOYSA-N 1 0 298.346 2.595 20 5 CFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248340461 383224619 /nfs/dbraw/zinc/22/46/19/383224619.db2.gz IOQPZPPMZSYDFQ-IJLUTSLNSA-N 1 0 291.351 2.652 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449343073 383229164 /nfs/dbraw/zinc/22/91/64/383229164.db2.gz HMWMVTAGDDHZEB-GHMZBOCLSA-N 1 0 254.305 2.864 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000449346502 383229635 /nfs/dbraw/zinc/22/96/35/383229635.db2.gz ZYCNEVIAMPBQKM-FZMZJTMJSA-N 1 0 280.368 2.665 20 5 CFBDRO CO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000339527360 383233514 /nfs/dbraw/zinc/23/35/14/383233514.db2.gz URMJEQJKDILDAM-VOKGJARPSA-N 1 0 276.336 2.623 20 5 CFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339560143 383242184 /nfs/dbraw/zinc/24/21/84/383242184.db2.gz GXXZPUZZLKFYQN-DSGJPFBLSA-N 1 0 290.363 2.749 20 5 CFBDRO COc1cc(C[NH2+]C2CC(C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000449369952 383242690 /nfs/dbraw/zinc/24/26/90/383242690.db2.gz GPCGBZXTDKBMMW-UHFFFAOYSA-N 1 0 298.314 2.592 20 5 CFBDRO CC(C)[NH2+]CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567889920 383327260 /nfs/dbraw/zinc/32/72/60/383327260.db2.gz KCPYFXJHJIZHQS-GFCCVEGCSA-N 1 0 265.357 2.634 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CC(C)(C)O ZINC000449448194 383299182 /nfs/dbraw/zinc/29/91/82/383299182.db2.gz FTJASCPYRQMMBD-NSHDSACASA-N 1 0 266.341 2.542 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248892897 383303826 /nfs/dbraw/zinc/30/38/26/383303826.db2.gz FBXHDZXBFRSXIO-IUODEOHRSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252219983 383405675 /nfs/dbraw/zinc/40/56/75/383405675.db2.gz YTVJSEKLRVCBNY-LALPHHSUSA-N 1 0 278.352 2.891 20 5 CFBDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000568506976 383409724 /nfs/dbraw/zinc/40/97/24/383409724.db2.gz STEGYDRQWUVVJI-CYBMUJFWSA-N 1 0 264.325 2.594 20 5 CFBDRO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000340111445 383358383 /nfs/dbraw/zinc/35/83/83/383358383.db2.gz JPDUYABVWGBKGT-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOC(F)F ZINC000568663269 383424856 /nfs/dbraw/zinc/42/48/56/383424856.db2.gz XOZDPAWVQXJPRT-NSHDSACASA-N 1 0 286.278 2.801 20 5 CFBDRO COC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000569258740 383482442 /nfs/dbraw/zinc/48/24/42/383482442.db2.gz KEMVNSLEILMZSM-ZIAGYGMSSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H]1C[N@@H+](CCCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253604418 383465291 /nfs/dbraw/zinc/46/52/91/383465291.db2.gz VJBDJXKGQHWHAT-BETUJISGSA-N 1 0 293.367 2.506 20 5 CFBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOCC1CC1 ZINC000254930872 383473243 /nfs/dbraw/zinc/47/32/43/383473243.db2.gz YWOILTZENZUOEM-XQRVVYSFSA-N 1 0 290.363 2.966 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC23CCCC3)c([N+](=O)[O-])cc1O ZINC000428544198 383490455 /nfs/dbraw/zinc/49/04/55/383490455.db2.gz GXKACYSPCKLUCI-AWEZNQCLSA-N 1 0 292.335 2.731 20 5 CFBDRO CCn1ccnc1[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000450827482 383507489 /nfs/dbraw/zinc/50/74/89/383507489.db2.gz HZLNQQCFUMTEQS-SNVBAGLBSA-N 1 0 260.297 2.984 20 5 CFBDRO Cc1cnccc1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000569719085 383532537 /nfs/dbraw/zinc/53/25/37/383532537.db2.gz OLBWQBVALBQGBK-UHFFFAOYSA-N 1 0 297.358 2.899 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](SC)C1 ZINC000451320862 383589214 /nfs/dbraw/zinc/58/92/14/383589214.db2.gz BHUCPFGMEINLQR-GFCCVEGCSA-N 1 0 282.365 2.541 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451540286 383638960 /nfs/dbraw/zinc/63/89/60/383638960.db2.gz GLLZJGOFQSELNP-IAQYHMDHSA-N 1 0 278.352 2.760 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCCO)C2)cc1 ZINC000451550800 383643401 /nfs/dbraw/zinc/64/34/01/383643401.db2.gz RYROWXCBEBJEHV-CQSZACIVSA-N 1 0 278.352 2.547 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(C)C ZINC000570943051 383651202 /nfs/dbraw/zinc/65/12/02/383651202.db2.gz XQUILTPFFHMLPF-SQWLQELKSA-N 1 0 292.379 2.967 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489409844 383616453 /nfs/dbraw/zinc/61/64/53/383616453.db2.gz UTTDIIMGLBHALN-ZDUSSCGKSA-N 1 0 264.325 2.704 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489458485 383620843 /nfs/dbraw/zinc/62/08/43/383620843.db2.gz ARXMDNJQFNHHHG-ZDUSSCGKSA-N 1 0 264.325 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)c(F)c1 ZINC000281013788 195069585 /nfs/dbraw/zinc/06/95/85/195069585.db2.gz RDUAGKBGHFASGS-UHFFFAOYSA-N 1 0 279.315 2.774 20 5 CFBDRO CCC1([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000453277580 383830419 /nfs/dbraw/zinc/83/04/19/383830419.db2.gz DOIGINRBEPLHBB-LLVKDONJSA-N 1 0 291.351 2.844 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531728556 383914174 /nfs/dbraw/zinc/91/41/74/383914174.db2.gz MTJXPGQQPRDCOQ-GXTWGEPZSA-N 1 0 291.395 2.896 20 5 CFBDRO O=[N+]([O-])c1cccc(CNc2cc(NC3CC3)ncn2)c1 ZINC000573336853 383914549 /nfs/dbraw/zinc/91/45/49/383914549.db2.gz STBKYFOAOAFCGG-UHFFFAOYSA-N 1 0 285.307 2.571 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000573718124 383978906 /nfs/dbraw/zinc/97/89/06/383978906.db2.gz KIAAAUNFRFIMQG-JMSVASOKSA-N 1 0 276.336 2.767 20 5 CFBDRO Cc1nccn1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531963643 383948974 /nfs/dbraw/zinc/94/89/74/383948974.db2.gz KKHLDMSDFREJDE-GFCCVEGCSA-N 1 0 288.351 2.759 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000573933766 384018388 /nfs/dbraw/zinc/01/83/88/384018388.db2.gz JQTKYNZYCYOVGZ-XHDPSFHLSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000532451022 384031130 /nfs/dbraw/zinc/03/11/30/384031130.db2.gz XSTPDTGNWMDMNR-STQMWFEESA-N 1 0 288.351 2.839 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C2CCC1CC2 ZINC000532466917 384033573 /nfs/dbraw/zinc/03/35/73/384033573.db2.gz UZOBBPNGITWGLY-PKSQDBQZSA-N 1 0 289.335 2.549 20 5 CFBDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000281122658 195112680 /nfs/dbraw/zinc/11/26/80/195112680.db2.gz ALUOLCFUUNIBQC-UHFFFAOYSA-N 1 0 288.351 2.970 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000277268442 384251418 /nfs/dbraw/zinc/25/14/18/384251418.db2.gz RLMHANIJXFATQT-LBPRGKRZSA-N 1 0 283.397 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CSCCS2)cc1 ZINC000125192162 285114947 /nfs/dbraw/zinc/11/49/47/285114947.db2.gz JUOMSDIUMRGLKH-LBPRGKRZSA-N 1 0 284.406 2.533 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353074563 220303997 /nfs/dbraw/zinc/30/39/97/220303997.db2.gz UWKJVBGPWYSPPR-AWEZNQCLSA-N 1 0 292.379 2.826 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C ZINC000278312178 384524698 /nfs/dbraw/zinc/52/46/98/384524698.db2.gz WWPFHTCWXXNEKB-UHFFFAOYSA-N 1 0 281.312 2.981 20 5 CFBDRO C[C@@H]1[N@H+](Cc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000363797944 220320886 /nfs/dbraw/zinc/32/08/86/220320886.db2.gz WKPHSLCPUWQYGI-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCC1CC1)CCC2 ZINC000278399714 384557880 /nfs/dbraw/zinc/55/78/80/384557880.db2.gz FNNIAYRMZPPLLF-INIZCTEOSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000301122838 285124102 /nfs/dbraw/zinc/12/41/02/285124102.db2.gz XVVXWKZAPCGESM-HNNXBMFYSA-N 1 0 275.352 2.659 20 5 CFBDRO Cc1nc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000268484488 384625153 /nfs/dbraw/zinc/62/51/53/384625153.db2.gz LYVXUPKJIPTGIT-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268523385 384629662 /nfs/dbraw/zinc/62/96/62/384629662.db2.gz VKRWCNGDIIIFPP-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278896909 384600922 /nfs/dbraw/zinc/60/09/22/384600922.db2.gz ZBRYZFSSAZKVCZ-CVEARBPZSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H]([NH2+]CCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268753912 384656405 /nfs/dbraw/zinc/65/64/05/384656405.db2.gz WMSXTPCKEGTRSP-JTQLQIEISA-N 1 0 292.360 2.966 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268786655 384661596 /nfs/dbraw/zinc/66/15/96/384661596.db2.gz CRHUFWIXQGZLTJ-BFQNTYOBSA-N 1 0 289.379 2.728 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106431 384725771 /nfs/dbraw/zinc/72/57/71/384725771.db2.gz VFTYPKFVICRPGH-RISCZKNCSA-N 1 0 293.342 2.654 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268895298 384689419 /nfs/dbraw/zinc/68/94/19/384689419.db2.gz ZSXQBQUXSFVKAH-WFASDCNBSA-N 1 0 292.379 2.931 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139030 384730272 /nfs/dbraw/zinc/73/02/72/384730272.db2.gz ZOYOCFXJGBJNTM-ZBFHGGJFSA-N 1 0 289.379 2.511 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000279812629 384772246 /nfs/dbraw/zinc/77/22/46/384772246.db2.gz OQRWTRZBXPQKBS-CQSZACIVSA-N 1 0 278.352 2.544 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692301 384837343 /nfs/dbraw/zinc/83/73/43/384837343.db2.gz VLDAXMGDYBQWKZ-BXUZGUMPSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269664865 384826921 /nfs/dbraw/zinc/82/69/21/384826921.db2.gz RLSHROXPXKUTIN-XUJVJEKNSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269675581 384829692 /nfs/dbraw/zinc/82/96/92/384829692.db2.gz PIWJONHXZVLZKQ-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO CCC[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692303 384838071 /nfs/dbraw/zinc/83/80/71/384838071.db2.gz VLDAXMGDYBQWKZ-FZMZJTMJSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279902323 384806039 /nfs/dbraw/zinc/80/60/39/384806039.db2.gz DMSXMWPVJZUIPW-DOMZBBRYSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633914 384814071 /nfs/dbraw/zinc/81/40/71/384814071.db2.gz GNPMHJUVHXDUTN-RISCZKNCSA-N 1 0 290.319 2.914 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000269797246 384871118 /nfs/dbraw/zinc/87/11/18/384871118.db2.gz IFGUGOAHWMRCFM-QGZVFWFLSA-N 1 0 298.342 2.518 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCCC1 ZINC000269761438 384863511 /nfs/dbraw/zinc/86/35/11/384863511.db2.gz BLDVIBVSNUSCKH-LBPRGKRZSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280265474 384950634 /nfs/dbraw/zinc/95/06/34/384950634.db2.gz YADZXVPRVXJDDS-WFASDCNBSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1=CCCOC1)CCC2 ZINC000287108854 285144054 /nfs/dbraw/zinc/14/40/54/285144054.db2.gz QMPKWDUBKDDZJN-INIZCTEOSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOC1)CCC2 ZINC000192839956 285145257 /nfs/dbraw/zinc/14/52/57/285145257.db2.gz MDLBWCQVPSCDAM-IUODEOHRSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCSC1 ZINC000280258296 384947837 /nfs/dbraw/zinc/94/78/37/384947837.db2.gz ZRTZFXKGJNYXJQ-PYEVWLCESA-N 1 0 278.377 2.951 20 5 CFBDRO CN(CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000281333218 385189898 /nfs/dbraw/zinc/18/98/98/385189898.db2.gz SAMREXBGMZISSC-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270807005 385233342 /nfs/dbraw/zinc/23/33/42/385233342.db2.gz VSMIZTDHTVCQEW-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000282193947 385243213 /nfs/dbraw/zinc/24/32/13/385243213.db2.gz HNJSENWGBYAHNP-ZDUSSCGKSA-N 1 0 290.367 2.606 20 5 CFBDRO C[NH+](C)CC1(NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000282228508 385253879 /nfs/dbraw/zinc/25/38/79/385253879.db2.gz NHEJGCAHTOVCDE-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])nn1C ZINC000282343278 385289318 /nfs/dbraw/zinc/28/93/18/385289318.db2.gz VIXNQLSWZNEQAZ-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000282359309 385292830 /nfs/dbraw/zinc/29/28/30/385292830.db2.gz NCWRSKDKABAHEJ-IUODEOHRSA-N 1 0 278.352 2.637 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000282390420 385299498 /nfs/dbraw/zinc/29/94/98/385299498.db2.gz GSROITGXAZFYDD-UHFFFAOYSA-N 1 0 296.367 2.634 20 5 CFBDRO C[N@H+](CCc1cccnc1)CCc1cccc([N+](=O)[O-])c1 ZINC000282560733 385341997 /nfs/dbraw/zinc/34/19/97/385341997.db2.gz YKCPZQOFRCUUON-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282635916 385358826 /nfs/dbraw/zinc/35/88/26/385358826.db2.gz BGFUAACSUDVTBP-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000153061657 285161870 /nfs/dbraw/zinc/16/18/70/285161870.db2.gz QPDAMBOPGSFDJW-CABCVRRESA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCF ZINC000280966083 285162021 /nfs/dbraw/zinc/16/20/21/285162021.db2.gz IEADRMODQJKFAL-YPMHNXCESA-N 1 0 266.316 2.865 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282491390 385325502 /nfs/dbraw/zinc/32/55/02/385325502.db2.gz MOBIMEXDXPOUPN-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1ccc(C[NH2+]CC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271982704 385418529 /nfs/dbraw/zinc/41/85/29/385418529.db2.gz JWVXZEUHEVFAIB-OAHLLOKOSA-N 1 0 292.379 2.790 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283182881 385443667 /nfs/dbraw/zinc/44/36/67/385443667.db2.gz QDNZJZVKMVLKPL-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000272257963 385490846 /nfs/dbraw/zinc/49/08/46/385490846.db2.gz AGGKLDJXTLTUQT-CMPLNLGQSA-N 1 0 298.770 2.805 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000283833590 385506362 /nfs/dbraw/zinc/50/63/62/385506362.db2.gz FHUQCCBQCFNXAW-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO CC[NH+](CC)CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284164986 385542749 /nfs/dbraw/zinc/54/27/49/385542749.db2.gz QCHVZBJODKBOKR-GFCCVEGCSA-N 1 0 294.399 2.560 20 5 CFBDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283990554 385521003 /nfs/dbraw/zinc/52/10/03/385521003.db2.gz HIMNBQLCFSCGTD-IUCAKERBSA-N 1 0 269.370 2.579 20 5 CFBDRO CN(c1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286279500 385582209 /nfs/dbraw/zinc/58/22/09/385582209.db2.gz GUCDRKSLHIFXQB-FUNVUKJBSA-N 1 0 293.342 2.795 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(C3CCCC3)CC2)c1 ZINC000370002224 285189319 /nfs/dbraw/zinc/18/93/19/285189319.db2.gz NCGZNRZVGKKNIM-UHFFFAOYSA-N 1 0 292.383 2.694 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000287107685 385781994 /nfs/dbraw/zinc/78/19/94/385781994.db2.gz WOSRIGHPMYXGEG-BBRMVZONSA-N 1 0 289.379 2.653 20 5 CFBDRO COCC1=CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275031838 385916265 /nfs/dbraw/zinc/91/62/65/385916265.db2.gz WIPJTDOWFJSSSG-GFCCVEGCSA-N 1 0 276.336 2.934 20 5 CFBDRO CC[C@H]([NH2+]CCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000276613440 385991834 /nfs/dbraw/zinc/99/18/34/385991834.db2.gz GYGCSLLBFKSQCS-HNNXBMFYSA-N 1 0 288.351 2.612 20 5 CFBDRO CCOCC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000288494711 197094818 /nfs/dbraw/zinc/09/48/18/197094818.db2.gz HMJOTSJVFLASGM-UHFFFAOYSA-N 1 0 272.370 2.809 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H](COC)C2CC2)ccc1[N+](=O)[O-] ZINC000276971311 386096239 /nfs/dbraw/zinc/09/62/39/386096239.db2.gz XAXJARCWSPIORG-ZDUSSCGKSA-N 1 0 294.351 2.508 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000181597526 285242510 /nfs/dbraw/zinc/24/25/10/285242510.db2.gz TZGKTYQHOISFNT-IAQYHMDHSA-N 1 0 278.352 2.979 20 5 CFBDRO COC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266517456 285279249 /nfs/dbraw/zinc/27/92/49/285279249.db2.gz GWZLQPWCBZPJEQ-NWDGAFQWSA-N 1 0 264.325 2.624 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000286975675 196750175 /nfs/dbraw/zinc/75/01/75/196750175.db2.gz POOGDRDMPLSFNI-WCQYABFASA-N 1 0 295.408 2.715 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281663044 195327173 /nfs/dbraw/zinc/32/71/73/195327173.db2.gz KWNGHULUEOHIDH-SMDDNHRTSA-N 1 0 264.325 2.594 20 5 CFBDRO CC(C)(CNc1cc(N)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000282256242 195553144 /nfs/dbraw/zinc/55/31/44/195553144.db2.gz NIWRVAOZXOBXME-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453632688 533408965 /nfs/dbraw/zinc/40/89/65/533408965.db2.gz PSCDFNVPWPWHJL-AKIZESGZSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000341783105 130044655 /nfs/dbraw/zinc/04/46/55/130044655.db2.gz VUCYXQBSWVCVDU-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878382 130104253 /nfs/dbraw/zinc/10/42/53/130104253.db2.gz RSCSXPASFBMBSI-SLEUVZQESA-N 1 0 289.379 2.728 20 5 CFBDRO COc1ccc(C[NH2+]CCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000342197761 130328981 /nfs/dbraw/zinc/32/89/81/130328981.db2.gz IDJNWUKXNWPUCA-UHFFFAOYSA-N 1 0 282.315 2.975 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@H]1C(F)F ZINC000342227192 130399218 /nfs/dbraw/zinc/39/92/18/130399218.db2.gz YDGDWOCBEAORMA-VRJVPJCWSA-N 1 0 268.263 2.851 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000180677459 393483799 /nfs/dbraw/zinc/48/37/99/393483799.db2.gz GXUVHFUXUJOFNI-UHFFFAOYSA-N 1 0 266.341 2.578 20 5 CFBDRO CC(C)[C@H](CNCc1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000037562656 393532295 /nfs/dbraw/zinc/53/22/95/393532295.db2.gz MZHZYXRMWXQWJK-ZDUSSCGKSA-N 1 0 297.424 2.866 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335155604 393647574 /nfs/dbraw/zinc/64/75/74/393647574.db2.gz LMVGRYABEIIZLE-STQMWFEESA-N 1 0 264.350 2.593 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193848426 393665969 /nfs/dbraw/zinc/66/59/69/393665969.db2.gz MFFMXSCKNYEZNL-CYBMUJFWSA-N 1 0 286.335 2.698 20 5 CFBDRO C[N@H+](CCc1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC000411134534 393671230 /nfs/dbraw/zinc/67/12/30/393671230.db2.gz OLIFYWBCPNYUIV-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509065 393742782 /nfs/dbraw/zinc/74/27/82/393742782.db2.gz KYJXLJNLAYJSFQ-LLVKDONJSA-N 1 0 298.412 2.975 20 5 CFBDRO COCCCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606103 393763488 /nfs/dbraw/zinc/76/34/88/393763488.db2.gz JEYCFTFZVCWHCF-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000411288916 393693981 /nfs/dbraw/zinc/69/39/81/393693981.db2.gz FWVKLWBYECWUJQ-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959977 393785024 /nfs/dbraw/zinc/78/50/24/393785024.db2.gz JYKQSUUPYDPFJV-AVGNSLFASA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339611012 393829008 /nfs/dbraw/zinc/82/90/08/393829008.db2.gz APKSCRGDANVCPM-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000248886481 393917346 /nfs/dbraw/zinc/91/73/46/393917346.db2.gz QPODYMVGCPWEEG-INIZCTEOSA-N 1 0 291.395 2.675 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000471826818 393921050 /nfs/dbraw/zinc/92/10/50/393921050.db2.gz OENPQGACQVMTBN-UHFFFAOYSA-N 1 0 284.331 2.765 20 5 CFBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000352780019 394018808 /nfs/dbraw/zinc/01/88/08/394018808.db2.gz RCBSEGAKFVBUES-YWPYICTPSA-N 1 0 278.352 2.667 20 5 CFBDRO CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417400422 393957238 /nfs/dbraw/zinc/95/72/38/393957238.db2.gz JSUKKWYJOCNVJB-FPMFFAJLSA-N 1 0 264.325 2.549 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCCO1 ZINC000430205765 393968308 /nfs/dbraw/zinc/96/83/08/393968308.db2.gz JRLKQUATBAHQIJ-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1CCOCC1 ZINC000430207438 393968330 /nfs/dbraw/zinc/96/83/30/393968330.db2.gz ZQJAUCPIYALOCJ-LLVKDONJSA-N 1 0 294.351 2.508 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000430218026 393969547 /nfs/dbraw/zinc/96/95/47/393969547.db2.gz KWIPYBZFBZFOBT-YPMHNXCESA-N 1 0 294.351 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/c2ccncc2)cc1 ZINC000486932263 393972636 /nfs/dbraw/zinc/97/26/36/393972636.db2.gz GSOXMWPSLJHEKE-OWOJBTEDSA-N 1 0 269.304 2.793 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCOC(C)(C)[C@H]1C ZINC000349978053 393975606 /nfs/dbraw/zinc/97/56/06/393975606.db2.gz SEJBGSJVMFJGRF-GFCCVEGCSA-N 1 0 278.352 2.903 20 5 CFBDRO CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000126255741 394024227 /nfs/dbraw/zinc/02/42/27/394024227.db2.gz JPICVHMDHKYFQJ-YUELXQCFSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189367 393991098 /nfs/dbraw/zinc/99/10/98/393991098.db2.gz VHROSFUQOUVXLY-UFBFGSQYSA-N 1 0 296.758 2.538 20 5 CFBDRO CC(C)[C@@](C)(C[NH3+])NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430542731 393991997 /nfs/dbraw/zinc/99/19/97/393991997.db2.gz DESCXTGDVBFZNY-CYBMUJFWSA-N 1 0 285.775 2.711 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000125569935 394009493 /nfs/dbraw/zinc/00/94/93/394009493.db2.gz QQCXWZAVHWYTPJ-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352033319 394009577 /nfs/dbraw/zinc/00/95/77/394009577.db2.gz SCOAMNPFURPYPF-ZDUSSCGKSA-N 1 0 292.360 2.788 20 5 CFBDRO COCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433148000 394013712 /nfs/dbraw/zinc/01/37/12/394013712.db2.gz PUIACMCEDRTREQ-CYBMUJFWSA-N 1 0 264.325 2.553 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000127667590 394053912 /nfs/dbraw/zinc/05/39/12/394053912.db2.gz REKVVBMGQVFMJM-GFCCVEGCSA-N 1 0 293.367 2.746 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N[C@@H]1CC[NH2+]C1 ZINC000420150943 394085752 /nfs/dbraw/zinc/08/57/52/394085752.db2.gz LSFAFEZARNUNSN-SSDOTTSWSA-N 1 0 276.123 2.675 20 5 CFBDRO COC[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358204980 394097953 /nfs/dbraw/zinc/09/79/53/394097953.db2.gz QIVQOJRRJKMTCS-LBPRGKRZSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000281996795 394107883 /nfs/dbraw/zinc/10/78/83/394107883.db2.gz INTFJIDULPABSU-GWCFXTLKSA-N 1 0 291.351 2.620 20 5 CFBDRO COc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1F ZINC000420269090 394110883 /nfs/dbraw/zinc/11/08/83/394110883.db2.gz AZZLLMOXCSCFIW-UWVGGRQHSA-N 1 0 297.330 2.672 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420283152 394116143 /nfs/dbraw/zinc/11/61/43/394116143.db2.gz NSENVOZGTXSSOG-NEPJUHHUSA-N 1 0 263.341 2.833 20 5 CFBDRO COc1cc(C[N@H+](C)CCCSC)ccc1[N+](=O)[O-] ZINC000439469429 394117234 /nfs/dbraw/zinc/11/72/34/394117234.db2.gz NSXNQFUAABNLQR-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131060880 394124720 /nfs/dbraw/zinc/12/47/20/394124720.db2.gz KSXDAPLLBMAEAV-DGCLKSJQSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084562 394145423 /nfs/dbraw/zinc/14/54/23/394145423.db2.gz UBLUXAPXSQQJGT-QWRGUYRKSA-N 1 0 281.331 2.571 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CCO)CC2)cs1 ZINC000421015576 394157866 /nfs/dbraw/zinc/15/78/66/394157866.db2.gz LOKQMWUHXXVNLZ-NSHDSACASA-N 1 0 284.381 2.641 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421046089 394168958 /nfs/dbraw/zinc/16/89/58/394168958.db2.gz WCBIXXDJUMAMMR-CYBMUJFWSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421379695 394210637 /nfs/dbraw/zinc/21/06/37/394210637.db2.gz JCURDRVNPKOFLI-WCQYABFASA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421384685 394213974 /nfs/dbraw/zinc/21/39/74/394213974.db2.gz PKOBPGJKHASQSZ-VXGBXAGGSA-N 1 0 293.367 2.948 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000290633582 394231543 /nfs/dbraw/zinc/23/15/43/394231543.db2.gz HINROYCDPJKDAL-SNVBAGLBSA-N 1 0 269.320 2.875 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154811 394232537 /nfs/dbraw/zinc/23/25/37/394232537.db2.gz OLZVRBSVRFRKQA-IUODEOHRSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000449160459 394235862 /nfs/dbraw/zinc/23/58/62/394235862.db2.gz BMWAJKBLSDDEAZ-NFAWXSAZSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000449164656 394237142 /nfs/dbraw/zinc/23/71/42/394237142.db2.gz QIBAJTFQJCHWHX-NWDGAFQWSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@@H](Cc1ccoc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000449172620 394240982 /nfs/dbraw/zinc/24/09/82/394240982.db2.gz VYCDGDHUOITQHO-LBPRGKRZSA-N 1 0 274.320 2.951 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C ZINC000449194164 394248763 /nfs/dbraw/zinc/24/87/63/394248763.db2.gz OQKSDCAHZDAHHV-YRGRVCCFSA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000449216401 394254788 /nfs/dbraw/zinc/25/47/88/394254788.db2.gz RYUXJDSRDFECKP-DYEKYZERSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286080457 394189255 /nfs/dbraw/zinc/18/92/55/394189255.db2.gz JSHZYUXEMKHKBI-LBPRGKRZSA-N 1 0 292.383 2.853 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2[NH+](C)C)n1 ZINC000362678310 394189682 /nfs/dbraw/zinc/18/96/82/394189682.db2.gz AZIQHIXFVJEKJW-VXGBXAGGSA-N 1 0 278.356 2.501 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000450866053 394342183 /nfs/dbraw/zinc/34/21/83/394342183.db2.gz XPTYBQXKSBWVRI-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000172591752 394373599 /nfs/dbraw/zinc/37/35/99/394373599.db2.gz JFLQZYPXBAWJCO-JTQLQIEISA-N 1 0 252.339 2.532 20 5 CFBDRO Cc1c([C@H](C)NCCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000519762671 394377559 /nfs/dbraw/zinc/37/75/59/394377559.db2.gz JIELOEYWCKDSIK-ZDUSSCGKSA-N 1 0 279.384 2.942 20 5 CFBDRO C[NH+](C)CCSCc1ccc(F)cc1[N+](=O)[O-] ZINC000521273476 394381029 /nfs/dbraw/zinc/38/10/29/394381029.db2.gz SOHSLSKTRIPGDM-UHFFFAOYSA-N 1 0 258.318 2.529 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)n1 ZINC000178161978 394386295 /nfs/dbraw/zinc/38/62/95/394386295.db2.gz REIOAJLHCJCCFV-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000178314224 394387171 /nfs/dbraw/zinc/38/71/71/394387171.db2.gz KSOUMYSTYNRGQY-OPQSFPLASA-N 1 0 276.336 2.874 20 5 CFBDRO COc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000539809106 394634867 /nfs/dbraw/zinc/63/48/67/394634867.db2.gz KEYRWVBOHYKLHK-QWRGUYRKSA-N 1 0 296.392 2.929 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000543469006 394732553 /nfs/dbraw/zinc/73/25/53/394732553.db2.gz KOQJRLHQUKUUPQ-PWSUYJOCSA-N 1 0 293.367 2.866 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H](C)O ZINC000542157922 394697529 /nfs/dbraw/zinc/69/75/29/394697529.db2.gz JSFATWXAIGOTQU-WOPDTQHZSA-N 1 0 266.341 2.713 20 5 CFBDRO CCOc1cc(C[NH+]2[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000547769049 394888547 /nfs/dbraw/zinc/88/85/47/394888547.db2.gz ISDXMGLNAYFPGK-GHMZBOCLSA-N 1 0 264.325 2.976 20 5 CFBDRO CCCCOCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742151 395075101 /nfs/dbraw/zinc/07/51/01/395075101.db2.gz WSHNJMLQEPYPDP-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268838900 285951535 /nfs/dbraw/zinc/95/15/35/285951535.db2.gz MGIAFVMNUBGZQI-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791674 155369763 /nfs/dbraw/zinc/36/97/63/155369763.db2.gz JLBCJFRANPNUFH-NWDGAFQWSA-N 1 0 293.367 2.522 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791676 155370625 /nfs/dbraw/zinc/37/06/25/155370625.db2.gz JLBCJFRANPNUFH-VXGBXAGGSA-N 1 0 293.367 2.522 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339618598 292296700 /nfs/dbraw/zinc/29/67/00/292296700.db2.gz HBAOWAMQMWTZIL-MJBXVCDLSA-N 1 0 291.395 2.989 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000356894663 155416713 /nfs/dbraw/zinc/41/67/13/155416713.db2.gz JKSWDECZUZDLCS-GXTWGEPZSA-N 1 0 278.352 2.542 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000348134167 154335245 /nfs/dbraw/zinc/33/52/45/154335245.db2.gz FSWXVBBCASGQFF-YPMHNXCESA-N 1 0 294.351 2.508 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348153783 154342352 /nfs/dbraw/zinc/34/23/52/154342352.db2.gz UKERTLMPHQZTCU-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO CCc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000352752778 154664131 /nfs/dbraw/zinc/66/41/31/154664131.db2.gz YUIUHQDLUHBPFA-UHFFFAOYSA-N 1 0 285.347 2.885 20 5 CFBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959306 156127563 /nfs/dbraw/zinc/12/75/63/156127563.db2.gz XPMGBVXVJCSSRZ-NEPJUHHUSA-N 1 0 280.372 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000367100373 156282599 /nfs/dbraw/zinc/28/25/99/156282599.db2.gz OYBMDCMFHGOHIT-CQSZACIVSA-N 1 0 276.336 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+]3CCC2CC3)c1 ZINC000367664835 156373727 /nfs/dbraw/zinc/37/37/27/156373727.db2.gz JXDYHDNXLXQJOC-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO CC/C=C/CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369684105 156609180 /nfs/dbraw/zinc/60/91/80/156609180.db2.gz XONVAJOGDPVCQR-ONEGZZNKSA-N 1 0 278.356 2.785 20 5 CFBDRO C[C@@H]1COCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374349777 157103713 /nfs/dbraw/zinc/10/37/13/157103713.db2.gz ILIDQSVHBLXXCX-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cc1F ZINC000374795721 157158477 /nfs/dbraw/zinc/15/84/77/157158477.db2.gz SIOGFSXJJOQCBM-GJZGRUSLSA-N 1 0 294.326 2.877 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000375119677 157198680 /nfs/dbraw/zinc/19/86/80/157198680.db2.gz FHTPJAHBRMZMJQ-HOTGVXAUSA-N 1 0 290.363 2.890 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000375285677 157216983 /nfs/dbraw/zinc/21/69/83/157216983.db2.gz DZSSLKCFKKDBDC-HNNXBMFYSA-N 1 0 290.363 2.675 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000375702915 157272077 /nfs/dbraw/zinc/27/20/77/157272077.db2.gz VJSRLLXFHNRQGC-UHFFFAOYSA-N 1 0 294.326 2.783 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000376064902 157319218 /nfs/dbraw/zinc/31/92/18/157319218.db2.gz CZZWYZWUYCMJSL-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000408172230 157383247 /nfs/dbraw/zinc/38/32/47/157383247.db2.gz UEWBEUYDNAOXNJ-OLZOCXBDSA-N 1 0 292.383 2.526 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000408309065 157392002 /nfs/dbraw/zinc/39/20/02/157392002.db2.gz LDILFEQVRMWBAO-LBPRGKRZSA-N 1 0 294.399 2.977 20 5 CFBDRO COc1cccc(NC[C@@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000234985317 161539421 /nfs/dbraw/zinc/53/94/21/161539421.db2.gz OVBOBAADGFNWGW-ZDUSSCGKSA-N 1 0 293.367 2.794 20 5 CFBDRO C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCN1C ZINC000344335121 162015582 /nfs/dbraw/zinc/01/55/82/162015582.db2.gz RDWVZVPMJXTFMD-DBVFPWQWSA-N 1 0 289.379 2.680 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344619202 162083610 /nfs/dbraw/zinc/08/36/10/162083610.db2.gz WACIIDGIAPCCBE-MTENODCZSA-N 1 0 292.379 2.995 20 5 CFBDRO CC[C@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344797443 162123691 /nfs/dbraw/zinc/12/36/91/162123691.db2.gz WPZPBGHKPOCDHY-BRADTZPFSA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H](C)O ZINC000344796992 162123879 /nfs/dbraw/zinc/12/38/79/162123879.db2.gz PBPBAHZZSDYSJH-OXJBHRBVSA-N 1 0 278.352 2.747 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@@H](C)CO ZINC000344792723 162123921 /nfs/dbraw/zinc/12/39/21/162123921.db2.gz NHKYMRKOELIASX-HGIZFUKPSA-N 1 0 278.352 2.605 20 5 CFBDRO CCC[C@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344821897 162128502 /nfs/dbraw/zinc/12/85/02/162128502.db2.gz JDPBTZBRGPJTSV-PINLSGDHSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344857538 162134609 /nfs/dbraw/zinc/13/46/09/162134609.db2.gz MDOIINJKGPBPII-PINLSGDHSA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnccn1 ZINC000344864125 162138041 /nfs/dbraw/zinc/13/80/41/162138041.db2.gz LIRQECGMOBUKDT-UKTHLTGXSA-N 1 0 298.346 2.620 20 5 CFBDRO C[NH2+]CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346683394 162487355 /nfs/dbraw/zinc/48/73/55/162487355.db2.gz QVKRRLBLTAZNAD-UHFFFAOYSA-N 1 0 289.335 2.506 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000346784397 162515033 /nfs/dbraw/zinc/51/50/33/162515033.db2.gz AYQYTUVKTKCMQA-YGRLFVJLSA-N 1 0 298.770 2.948 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000347664386 162751905 /nfs/dbraw/zinc/75/19/05/162751905.db2.gz PRCOSPYABLKZLR-MRXNPFEDSA-N 1 0 290.363 2.986 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000349777694 163014156 /nfs/dbraw/zinc/01/41/56/163014156.db2.gz PSEXHCXZLFYOKD-AWEZNQCLSA-N 1 0 288.351 2.612 20 5 CFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350037289 163052784 /nfs/dbraw/zinc/05/27/84/163052784.db2.gz NALWLVDGGAWQRO-HIFRSBDPSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1CCOCC1 ZINC000350107432 163059937 /nfs/dbraw/zinc/05/99/37/163059937.db2.gz UDGCYHYGKNNWQR-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000350518058 163090880 /nfs/dbraw/zinc/09/08/80/163090880.db2.gz SJUPAFNDVBZWFE-NEPJUHHUSA-N 1 0 288.351 2.610 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC3(CCCC3)CC2)c1 ZINC000352797658 163237143 /nfs/dbraw/zinc/23/71/43/163237143.db2.gz MLDUVWFGKPQQLE-UHFFFAOYSA-N 1 0 292.383 2.884 20 5 CFBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352819097 163241397 /nfs/dbraw/zinc/24/13/97/163241397.db2.gz WQCMUSHPTMXNFX-UFBFGSQYSA-N 1 0 270.329 2.575 20 5 CFBDRO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000353327425 163346734 /nfs/dbraw/zinc/34/67/34/163346734.db2.gz BWBCVNHWESWRDH-OAHLLOKOSA-N 1 0 289.379 2.572 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000284297220 196023554 /nfs/dbraw/zinc/02/35/54/196023554.db2.gz RLDYDDIRTDXFHU-NSHDSACASA-N 1 0 281.381 2.956 20 5 CFBDRO CC(C)[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000020189405 171055478 /nfs/dbraw/zinc/05/54/78/171055478.db2.gz VBBXQPBISDXKGK-UHFFFAOYSA-N 1 0 277.368 2.557 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOCC2CC2)cc1 ZINC000020191132 171057721 /nfs/dbraw/zinc/05/77/21/171057721.db2.gz SESODANKLMFWFH-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000020196149 171061232 /nfs/dbraw/zinc/06/12/32/171061232.db2.gz RZDXZOXDDYRZBU-GXTWGEPZSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)[C@@H](CNCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000020200980 171064914 /nfs/dbraw/zinc/06/49/14/171064914.db2.gz LTFRILVZUVYMGO-MRXNPFEDSA-N 1 0 291.395 2.805 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000020370286 171167582 /nfs/dbraw/zinc/16/75/82/171167582.db2.gz ONYCGPCVBTVYCJ-LBPRGKRZSA-N 1 0 280.372 2.912 20 5 CFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](C2CC2)CC1 ZINC000022137957 171354989 /nfs/dbraw/zinc/35/49/89/171354989.db2.gz RCGWQEJZKUTWJJ-UHFFFAOYSA-N 1 0 261.325 2.634 20 5 CFBDRO C[NH+](C)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000027552304 171520707 /nfs/dbraw/zinc/52/07/07/171520707.db2.gz WFSPOGPANMWXTP-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])no1 ZINC000284905199 196154186 /nfs/dbraw/zinc/15/41/86/196154186.db2.gz CKHBGJBYOXTPMV-NSHDSACASA-N 1 0 275.308 2.785 20 5 CFBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC000034429674 171839250 /nfs/dbraw/zinc/83/92/50/171839250.db2.gz YPEKGRUFNBEKQL-UHFFFAOYSA-N 1 0 271.748 2.636 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035273845 172094439 /nfs/dbraw/zinc/09/44/39/172094439.db2.gz WJLHNNNHSXPZBB-SMDDNHRTSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285143426 196206539 /nfs/dbraw/zinc/20/65/39/196206539.db2.gz LXNFPSJDTZRAGD-UTUOFQBUSA-N 1 0 293.367 2.643 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340337 196254725 /nfs/dbraw/zinc/25/47/25/196254725.db2.gz UTNGSQOQNUVVGK-VXGBXAGGSA-N 1 0 294.399 2.558 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035735513 172387436 /nfs/dbraw/zinc/38/74/36/172387436.db2.gz SZNPBPWOUOONHF-BXUZGUMPSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285391683 196269840 /nfs/dbraw/zinc/26/98/40/196269840.db2.gz WTQVWTZLLLEZGH-YGRLFVJLSA-N 1 0 295.383 2.625 20 5 CFBDRO CCC[C@@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285549946 196323251 /nfs/dbraw/zinc/32/32/51/196323251.db2.gz MFIQOCZHVJJWDD-OAHLLOKOSA-N 1 0 294.351 2.522 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000037292604 173096698 /nfs/dbraw/zinc/09/66/98/173096698.db2.gz MLODATIOQPKDCH-HUUCEWRRSA-N 1 0 289.379 2.620 20 5 CFBDRO C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669951 174368296 /nfs/dbraw/zinc/36/82/96/174368296.db2.gz OYELYZQANNWXRX-IUODEOHRSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000040675850 174373483 /nfs/dbraw/zinc/37/34/83/174373483.db2.gz HAQAZEGWURQFCR-UHFFFAOYSA-N 1 0 272.304 2.633 20 5 CFBDRO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533981 175197333 /nfs/dbraw/zinc/19/73/33/175197333.db2.gz RDRTUFWWYROPOS-STQMWFEESA-N 1 0 277.368 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044685822 175231381 /nfs/dbraw/zinc/23/13/81/175231381.db2.gz IOEMCKOFLSLEKI-LLVKDONJSA-N 1 0 295.770 2.575 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044725866 175237874 /nfs/dbraw/zinc/23/78/74/175237874.db2.gz NESPMNJHMAUUSE-NSHDSACASA-N 1 0 261.325 2.552 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926205 175540815 /nfs/dbraw/zinc/54/08/15/175540815.db2.gz YRCLPNBYPLMOPX-UONOGXRCSA-N 1 0 264.325 2.642 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1NCC[NH+]1CCCC1 ZINC000054128522 175554645 /nfs/dbraw/zinc/55/46/45/175554645.db2.gz SRUMPMLERGADJM-UHFFFAOYSA-N 1 0 269.732 2.756 20 5 CFBDRO Cc1cnc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000078629995 177362165 /nfs/dbraw/zinc/36/21/65/177362165.db2.gz VQEAUIRAJYLRCP-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000517342532 260148816 /nfs/dbraw/zinc/14/88/16/260148816.db2.gz DBSBRXOPXPDRCB-UONOGXRCSA-N 1 0 289.379 2.729 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313165470 260255444 /nfs/dbraw/zinc/25/54/44/260255444.db2.gz SOAJUQQPHBPYTQ-GDLCADMTSA-N 1 0 266.341 2.795 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)C2 ZINC000518192450 260352693 /nfs/dbraw/zinc/35/26/93/260352693.db2.gz KAUCHTFIKSSFDE-BBRMVZONSA-N 1 0 290.363 2.504 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000161728165 261142961 /nfs/dbraw/zinc/14/29/61/261142961.db2.gz BJOIHOINABTAGV-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO CCOc1cc(C[N@H+](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000521420090 262322747 /nfs/dbraw/zinc/32/27/47/262322747.db2.gz SEOABLDVCOQRPM-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO COCC1(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000520610222 265877321 /nfs/dbraw/zinc/87/73/21/265877321.db2.gz RKTKHGLTNBXCKJ-AWEZNQCLSA-N 1 0 290.363 2.988 20 5 CFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000395431135 270312998 /nfs/dbraw/zinc/31/29/98/270312998.db2.gz FZAPKNYRQKDDRM-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CC2)c(Cl)c1 ZINC000395867271 270313738 /nfs/dbraw/zinc/31/37/38/270313738.db2.gz FSAPLDAWNBYZMR-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000397252868 270316311 /nfs/dbraw/zinc/31/63/11/270316311.db2.gz DDSUUOIYCXFWHE-WZRBSPASSA-N 1 0 295.358 2.539 20 5 CFBDRO C[C@@H]([NH2+]CC1=CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000397782551 270319526 /nfs/dbraw/zinc/31/95/26/270319526.db2.gz ZQGYYKASXNOHRY-LLVKDONJSA-N 1 0 262.309 2.592 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000397882372 270320697 /nfs/dbraw/zinc/32/06/97/270320697.db2.gz LDTNRURYNVOLBK-GFCCVEGCSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000399794709 270330199 /nfs/dbraw/zinc/33/01/99/270330199.db2.gz VYIZCMFAVKBVEW-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC2CCC1(C[NH3+])CC2 ZINC000514798047 270353888 /nfs/dbraw/zinc/35/38/88/270353888.db2.gz GCNIBAMLUCUYSC-FUJMWEONSA-N 1 0 289.379 2.859 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000517500842 270405735 /nfs/dbraw/zinc/40/57/35/270405735.db2.gz BAZBRJNLERLBIP-DABQJJPHSA-N 1 0 278.352 2.683 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000282431440 274064241 /nfs/dbraw/zinc/06/42/41/274064241.db2.gz RJIUGQDTUSVCOT-SMDDNHRTSA-N 1 0 278.352 2.903 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177901770 274203049 /nfs/dbraw/zinc/20/30/49/274203049.db2.gz QMPLRWKBXSMEJD-UTUOFQBUSA-N 1 0 291.351 2.652 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000166633523 274260204 /nfs/dbraw/zinc/26/02/04/274260204.db2.gz VZBKFZBMDYKLNP-ZTFRIQLXSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423472282 274261392 /nfs/dbraw/zinc/26/13/92/274261392.db2.gz QBBQURNERWQUEU-RBZYPMLTSA-N 1 0 277.368 2.643 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000449174839 274498757 /nfs/dbraw/zinc/49/87/57/274498757.db2.gz NDDUQFWVKYTCQH-WQVCFCJDSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccn1 ZINC000449061838 274498809 /nfs/dbraw/zinc/49/88/09/274498809.db2.gz HSMCXWDNTPFVTI-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO [NH3+]C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000420148110 274943891 /nfs/dbraw/zinc/94/38/91/274943891.db2.gz TWOOGGJKVOVCQZ-UHFFFAOYSA-N 1 0 298.346 2.584 20 5 CFBDRO CCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511648 275979053 /nfs/dbraw/zinc/97/90/53/275979053.db2.gz VFPNNDWHSNMEEP-NEPJUHHUSA-N 1 0 266.345 2.665 20 5 CFBDRO CC[NH+]1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000038098033 276151392 /nfs/dbraw/zinc/15/13/92/276151392.db2.gz XWSFDMVPPNUKOH-LBPRGKRZSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[C@H](COC)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358187658 276571362 /nfs/dbraw/zinc/57/13/62/276571362.db2.gz ZOSYZSGTRMSQTQ-CQSZACIVSA-N 1 0 280.368 2.932 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000276970086 276870475 /nfs/dbraw/zinc/87/04/75/276870475.db2.gz DNXJCWNMUMGHEW-JTQLQIEISA-N 1 0 299.321 2.794 20 5 CFBDRO C[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000035343553 277031884 /nfs/dbraw/zinc/03/18/84/277031884.db2.gz HZBQWVPCGCQSSC-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000268816368 277070117 /nfs/dbraw/zinc/07/01/17/277070117.db2.gz IMGMHDVMQMFGLL-DOMZBBRYSA-N 1 0 275.352 2.515 20 5 CFBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000262111003 277294975 /nfs/dbraw/zinc/29/49/75/277294975.db2.gz WLHYSWHQXBCKBT-CQSZACIVSA-N 1 0 291.395 2.902 20 5 CFBDRO CC(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521585 277423000 /nfs/dbraw/zinc/42/30/00/277423000.db2.gz WPLZHEDANLPGGK-NWDGAFQWSA-N 1 0 266.345 2.521 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330817137 277796351 /nfs/dbraw/zinc/79/63/51/277796351.db2.gz GKAIYQTWZLGKJF-FRRDWIJNSA-N 1 0 294.399 2.879 20 5 CFBDRO CC(C)c1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346649170 278036719 /nfs/dbraw/zinc/03/67/19/278036719.db2.gz GMRSUUJQTMHIQS-TZMCWYRMSA-N 1 0 291.395 2.887 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000120234375 278284114 /nfs/dbraw/zinc/28/41/14/278284114.db2.gz XTXGZLAJCNQIQU-OBJOEFQTSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)O ZINC000449448176 278298929 /nfs/dbraw/zinc/29/89/29/278298929.db2.gz FOPLBRQTZPCQML-RYUDHWBXSA-N 1 0 280.368 2.665 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131085261 278349389 /nfs/dbraw/zinc/34/93/89/278349389.db2.gz CVOUJDQDKDAUOT-VXGBXAGGSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000188014302 278370213 /nfs/dbraw/zinc/37/02/13/278370213.db2.gz NLNVJCGSBFDZCI-UXIGCNINSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536033 278379631 /nfs/dbraw/zinc/37/96/31/278379631.db2.gz YXXQFPZEUDVEQK-IAQYHMDHSA-N 1 0 277.368 2.763 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279036509 278392016 /nfs/dbraw/zinc/39/20/16/278392016.db2.gz IYVQFIFOQZYUEF-QMTHXVAHSA-N 1 0 278.352 2.678 20 5 CFBDRO CC[C@H]([NH2+]CCN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010425 288041127 /nfs/dbraw/zinc/04/11/27/288041127.db2.gz SQGHRRKHTJNWJL-HNNXBMFYSA-N 1 0 279.384 2.977 20 5 CFBDRO CCCN(CC[NH+]1CCCCC1)c1ncccc1[N+](=O)[O-] ZINC000343329567 278788521 /nfs/dbraw/zinc/78/85/21/278788521.db2.gz CWVUUQMNBBCLLV-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223518773 278908964 /nfs/dbraw/zinc/90/89/64/278908964.db2.gz ZSZRXEWTIBELEJ-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063196248 279419089 /nfs/dbraw/zinc/41/90/89/279419089.db2.gz PCSSDANUBRBQNY-GXFFZTMASA-N 1 0 297.786 2.950 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000285144368 279485889 /nfs/dbraw/zinc/48/58/89/279485889.db2.gz OTZNOOYDDPSNLD-SGMGOOAPSA-N 1 0 278.352 2.918 20 5 CFBDRO C[C@H](O)C[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341332991 279580869 /nfs/dbraw/zinc/58/08/69/279580869.db2.gz YDXPNDSWOAQCIV-SLEUVZQESA-N 1 0 292.379 2.665 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252213850 279670050 /nfs/dbraw/zinc/67/00/50/279670050.db2.gz XCNLGZVYACCRGY-HZMBPMFUSA-N 1 0 297.786 2.807 20 5 CFBDRO CC(C)[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000343207419 280016369 /nfs/dbraw/zinc/01/63/69/280016369.db2.gz PZIAKTVGXKJRPO-ZDUSSCGKSA-N 1 0 281.331 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000363618431 280363406 /nfs/dbraw/zinc/36/34/06/280363406.db2.gz FUGDMOSHKPKKEP-MRXNPFEDSA-N 1 0 289.379 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000077464985 280525154 /nfs/dbraw/zinc/52/51/54/280525154.db2.gz NRQXALUFHYINGJ-ZTHSPGPESA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000420309340 281020500 /nfs/dbraw/zinc/02/05/00/281020500.db2.gz FBPFORNKHHOHKM-IUODEOHRSA-N 1 0 277.368 2.635 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000305805629 281021976 /nfs/dbraw/zinc/02/19/76/281021976.db2.gz GDKRADDVPSZYJI-SLEUVZQESA-N 1 0 278.352 2.667 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000278685388 281023509 /nfs/dbraw/zinc/02/35/09/281023509.db2.gz UPXZWUFWNOELME-HUBLWGQQSA-N 1 0 278.352 2.979 20 5 CFBDRO CCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255558509 281101217 /nfs/dbraw/zinc/10/12/17/281101217.db2.gz PGCQPORBFPNMFK-VURMDHGXSA-N 1 0 278.352 2.702 20 5 CFBDRO CS[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296259610 281142426 /nfs/dbraw/zinc/14/24/26/281142426.db2.gz LUBPFICKPPMKGT-LBPRGKRZSA-N 1 0 266.366 2.841 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1 ZINC000397822981 281202467 /nfs/dbraw/zinc/20/24/67/281202467.db2.gz FNGNFJFYJHVLQJ-WPRPVWTQSA-N 1 0 270.329 2.718 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000398099916 281204345 /nfs/dbraw/zinc/20/43/45/281204345.db2.gz HGKQVWIZPMAPST-WCQYABFASA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286332466 281231252 /nfs/dbraw/zinc/23/12/52/281231252.db2.gz LPBUUMHEXQLBFO-ZIAGYGMSSA-N 1 0 289.379 2.966 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871795 281288109 /nfs/dbraw/zinc/28/81/09/281288109.db2.gz DHLSLPDQNMRTLH-SWLSCSKDSA-N 1 0 291.395 2.902 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871793 281288281 /nfs/dbraw/zinc/28/82/81/281288281.db2.gz DHLSLPDQNMRTLH-IUODEOHRSA-N 1 0 291.395 2.902 20 5 CFBDRO COc1cc(CN2[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000526989379 281322183 /nfs/dbraw/zinc/32/21/83/281322183.db2.gz RVFJIKXWDAMVNV-NXEZZACHSA-N 1 0 280.324 2.595 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000539058099 281565428 /nfs/dbraw/zinc/56/54/28/281565428.db2.gz FDWBYDWAAFIHCV-JGRMJRGVSA-N 1 0 298.408 2.711 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)O ZINC000542157919 281620262 /nfs/dbraw/zinc/62/02/62/281620262.db2.gz JSFATWXAIGOTQU-SRVKXCTJSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)C1CC1 ZINC000554993358 281907461 /nfs/dbraw/zinc/90/74/61/281907461.db2.gz ZGQYKCDKONJHMH-AAEUAGOBSA-N 1 0 278.352 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC3CC3)c2c1 ZINC000557498906 281965046 /nfs/dbraw/zinc/96/50/46/281965046.db2.gz HFFYLPZFOPACSG-UHFFFAOYSA-N 1 0 259.309 2.618 20 5 CFBDRO CC(C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573462 281985657 /nfs/dbraw/zinc/98/56/57/281985657.db2.gz ZLVRLKANZFGXCK-UHFFFAOYSA-N 1 0 293.367 2.949 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000562059948 282065806 /nfs/dbraw/zinc/06/58/06/282065806.db2.gz RROGMHDKOIEFGF-CHWSQXEVSA-N 1 0 280.368 2.818 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCC[NH+](C)C ZINC000562090685 282067010 /nfs/dbraw/zinc/06/70/10/282067010.db2.gz BNZPIMSBJTUXLV-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286383939 288709766 /nfs/dbraw/zinc/70/97/66/288709766.db2.gz OOEVYQJBPGNLMT-OLZOCXBDSA-N 1 0 275.352 2.658 20 5 CFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349240610 289211786 /nfs/dbraw/zinc/21/17/86/289211786.db2.gz HPANRFSBNQTEKZ-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152732234 289853584 /nfs/dbraw/zinc/85/35/84/289853584.db2.gz KVGVRPSHTXMBPI-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159148867 289988522 /nfs/dbraw/zinc/98/85/22/289988522.db2.gz YXGZIGYDPVLCMD-RYUDHWBXSA-N 1 0 266.341 2.715 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000563122200 290105622 /nfs/dbraw/zinc/10/56/22/290105622.db2.gz LHTWGKGUQCIPJG-BSLIBVBRSA-N 1 0 276.336 2.765 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000563122205 290105739 /nfs/dbraw/zinc/10/57/39/290105739.db2.gz LHTWGKGUQCIPJG-LIKCUEIDSA-N 1 0 276.336 2.765 20 5 CFBDRO CC(C)([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000563216791 290119504 /nfs/dbraw/zinc/11/95/04/290119504.db2.gz LFNZZQOUPRWKNF-DOMZBBRYSA-N 1 0 292.379 2.971 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820080 290176990 /nfs/dbraw/zinc/17/69/90/290176990.db2.gz BZYQLDPQYJRCHQ-FZMZJTMJSA-N 1 0 278.352 2.844 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000270290587 290226215 /nfs/dbraw/zinc/22/62/15/290226215.db2.gz ODILAQNFSPUXOZ-HOCLYGCPSA-N 1 0 298.346 2.847 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000269098368 290240043 /nfs/dbraw/zinc/24/00/43/290240043.db2.gz PXXXONTYMXEYDZ-AAEUAGOBSA-N 1 0 293.342 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000564917659 290249062 /nfs/dbraw/zinc/24/90/62/290249062.db2.gz ZUZNPOOYRUXYNX-LSDHHAIUSA-N 1 0 290.363 2.986 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219735 290283776 /nfs/dbraw/zinc/28/37/76/290283776.db2.gz YYEFODRBDVIMRL-RISCZKNCSA-N 1 0 278.352 2.579 20 5 CFBDRO Cn1cccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000565913336 290334502 /nfs/dbraw/zinc/33/45/02/290334502.db2.gz DMCCSKGEVIMKDX-UHFFFAOYSA-N 1 0 298.346 2.747 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000112074966 302040145 /nfs/dbraw/zinc/04/01/45/302040145.db2.gz IIEKQOXIEXIGCQ-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301091033 304800658 /nfs/dbraw/zinc/80/06/58/304800658.db2.gz KWJCPOJWHFYCPE-CYBMUJFWSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301117014 304807700 /nfs/dbraw/zinc/80/77/00/304807700.db2.gz UVASIAUJHCLPPD-CYBMUJFWSA-N 1 0 275.352 2.659 20 5 CFBDRO O=[N+]([O-])c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000160112524 322333168 /nfs/dbraw/zinc/33/31/68/322333168.db2.gz FCKRHRKUKRYSPF-UHFFFAOYSA-N 1 0 267.354 2.568 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163953183 322379679 /nfs/dbraw/zinc/37/96/79/322379679.db2.gz VXKLEQNQAXKVKJ-ITDIGPHOSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1cnc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000573624022 322663440 /nfs/dbraw/zinc/66/34/40/322663440.db2.gz HTLQNPGWEALDNK-HNNXBMFYSA-N 1 0 298.346 2.513 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000574660598 322701298 /nfs/dbraw/zinc/70/12/98/322701298.db2.gz ZPTLZVSJAXTOPO-UHFFFAOYSA-N 1 0 296.346 2.805 20 5 CFBDRO CC(C)C[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575064291 322716865 /nfs/dbraw/zinc/71/68/65/322716865.db2.gz LPCPXSXDWNQPDI-ZDUSSCGKSA-N 1 0 292.383 2.546 20 5 CFBDRO C[C@@H]([NH2+]CCCc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000575813053 322730569 /nfs/dbraw/zinc/73/05/69/322730569.db2.gz UWJOERFGYPIGDR-GFCCVEGCSA-N 1 0 288.351 2.612 20 5 CFBDRO COC(C)(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000174596398 323651651 /nfs/dbraw/zinc/65/16/51/323651651.db2.gz VKNGAZUQAKTKAV-SOFGYWHQSA-N 1 0 264.325 2.623 20 5 CFBDRO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180442874 323780658 /nfs/dbraw/zinc/78/06/58/323780658.db2.gz GUSCSQSRLMQZRR-LLVKDONJSA-N 1 0 293.367 2.550 20 5 CFBDRO COC[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189667264 324031991 /nfs/dbraw/zinc/03/19/91/324031991.db2.gz DGUWEGSUEPXAAU-LBPRGKRZSA-N 1 0 278.352 2.842 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCCCCO)cc1[N+](=O)[O-] ZINC000192905698 324067224 /nfs/dbraw/zinc/06/72/24/324067224.db2.gz DZBYPWMESUIKTB-UHFFFAOYSA-N 1 0 280.368 2.970 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCF)CCC2 ZINC000193028019 324067757 /nfs/dbraw/zinc/06/77/57/324067757.db2.gz ZSNIQCSYYACZQJ-ZDUSSCGKSA-N 1 0 252.289 2.921 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000576590625 324634719 /nfs/dbraw/zinc/63/47/19/324634719.db2.gz OQOZQKCDUROJPA-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000576880655 324670494 /nfs/dbraw/zinc/67/04/94/324670494.db2.gz WXFHHBRRSGKMEX-LLVKDONJSA-N 1 0 293.367 2.948 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2c[nH+]ccc2-n2cccn2)cc1 ZINC000580177846 325012819 /nfs/dbraw/zinc/01/28/19/325012819.db2.gz RXDIYHSIMQHCBP-UHFFFAOYSA-N 1 0 295.302 2.788 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000581260183 325106233 /nfs/dbraw/zinc/10/62/33/325106233.db2.gz FPEJLQOGQMVDNX-RYUDHWBXSA-N 1 0 293.367 2.888 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@@H]1C(F)F ZINC000581320403 325111282 /nfs/dbraw/zinc/11/12/82/325111282.db2.gz CFJPNJDQFPLTEP-AXFHLTTASA-N 1 0 268.263 2.825 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000581475816 325124950 /nfs/dbraw/zinc/12/49/50/325124950.db2.gz JUWTZROOVKOLEH-UGFHNGPFSA-N 1 0 278.352 2.998 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC1(C)C ZINC000581674930 325141862 /nfs/dbraw/zinc/14/18/62/325141862.db2.gz CUQVELPIGWQJGM-ZDUSSCGKSA-N 1 0 264.325 2.882 20 5 CFBDRO COCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581894530 325157602 /nfs/dbraw/zinc/15/76/02/325157602.db2.gz WBYITSIJHILKHU-ZDUSSCGKSA-N 1 0 264.325 2.598 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000582115269 325177142 /nfs/dbraw/zinc/17/71/42/325177142.db2.gz GUCKYNGRUCYFPA-WCQYABFASA-N 1 0 279.384 2.752 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582481276 325208826 /nfs/dbraw/zinc/20/88/26/325208826.db2.gz NLNLESUEUWTLQX-HAQNSBGRSA-N 1 0 264.325 2.739 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cccnc1 ZINC000582796502 325235674 /nfs/dbraw/zinc/23/56/74/325235674.db2.gz RRHZWRMGWZGVEC-OAHLLOKOSA-N 1 0 283.331 2.809 20 5 CFBDRO Cc1cc(N(CC[NH+](C)C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000584245386 325341684 /nfs/dbraw/zinc/34/16/84/325341684.db2.gz ARHSLNRBRKDZIX-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691514 520720800 /nfs/dbraw/zinc/72/08/00/520720800.db2.gz DIZNJMCFICNVKY-OLZOCXBDSA-N 1 0 279.384 2.976 20 5 CFBDRO C[C@@H](O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092969465 500889546 /nfs/dbraw/zinc/88/95/46/500889546.db2.gz LEJZFNIDNBNGFM-DIECRNLCSA-N 1 0 290.363 2.701 20 5 CFBDRO COc1cc(C[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000158063576 533793404 /nfs/dbraw/zinc/79/34/04/533793404.db2.gz LCOABUFCCUESQL-SNVBAGLBSA-N 1 0 294.351 2.842 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000430081511 533959647 /nfs/dbraw/zinc/95/96/47/533959647.db2.gz XKUFRFOUTDLKLI-LNLATYFQSA-N 1 0 274.324 2.605 20 5 CFBDRO C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000414765412 534021949 /nfs/dbraw/zinc/02/19/49/534021949.db2.gz FUTYKWSURZLCRY-CWNOIDMWSA-N 1 0 289.379 2.667 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449639532 536008687 /nfs/dbraw/zinc/00/86/87/536008687.db2.gz PHHGHEKRLRXNDW-KBPBESRZSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000414663476 534343466 /nfs/dbraw/zinc/34/34/66/534343466.db2.gz SESJAKJUKORYAL-NSHDSACASA-N 1 0 294.355 2.542 20 5 CFBDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000160219629 520390452 /nfs/dbraw/zinc/39/04/52/520390452.db2.gz MWRAFLQOGBIXCG-ZDUSSCGKSA-N 1 0 264.325 2.642 20 5 CFBDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000160219506 520404276 /nfs/dbraw/zinc/40/42/76/520404276.db2.gz MWRAFLQOGBIXCG-CYBMUJFWSA-N 1 0 264.325 2.642 20 5 CFBDRO CCC[C@@H]([NH2+]CCN(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054110128 520775075 /nfs/dbraw/zinc/77/50/75/520775075.db2.gz XKMWMINVAXHFQM-OAHLLOKOSA-N 1 0 279.384 2.977 20 5 CFBDRO [NH3+]C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000414840872 534548337 /nfs/dbraw/zinc/54/83/37/534548337.db2.gz KQPFKLQRNVOVFC-SOFGYWHQSA-N 1 0 289.379 2.859 20 5 CFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000361589671 521353332 /nfs/dbraw/zinc/35/33/32/521353332.db2.gz QPWKSHOWCXTOGS-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480550 521512524 /nfs/dbraw/zinc/51/25/24/521512524.db2.gz BOSMVGTUZHLPLV-VIFPVBQESA-N 1 0 299.758 2.917 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246300645 521658147 /nfs/dbraw/zinc/65/81/47/521658147.db2.gz VFWBSNOHTSHATJ-DOMZBBRYSA-N 1 0 277.368 2.730 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cn1 ZINC000162427638 521660429 /nfs/dbraw/zinc/66/04/29/521660429.db2.gz LRPDEQONSBZBDB-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444810 522085120 /nfs/dbraw/zinc/08/51/20/522085120.db2.gz ZMIDNWBGMMXMLA-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000361747658 522478134 /nfs/dbraw/zinc/47/81/34/522478134.db2.gz NRYNWMKGXYQABQ-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353133083 522480920 /nfs/dbraw/zinc/48/09/20/522480920.db2.gz DNHBNGFMELDPPS-GXSJLCMTSA-N 1 0 280.324 2.500 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160327466 522707371 /nfs/dbraw/zinc/70/73/71/522707371.db2.gz SJBUUUZLIQEJSV-JSGCOSHPSA-N 1 0 298.408 2.750 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340690820 523108240 /nfs/dbraw/zinc/10/82/40/523108240.db2.gz MSTPHNRRJYRXTK-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000227307741 523752266 /nfs/dbraw/zinc/75/22/66/523752266.db2.gz QGLILBQIHDUXFL-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000312694652 524027333 /nfs/dbraw/zinc/02/73/33/524027333.db2.gz FMSANJALFPGXDS-CQSZACIVSA-N 1 0 282.315 2.639 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccsc2)cc1[N+](=O)[O-] ZINC000059639521 524073376 /nfs/dbraw/zinc/07/33/76/524073376.db2.gz QOMJXLAFVXUYGD-UHFFFAOYSA-N 1 0 278.333 2.955 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168947490 524294270 /nfs/dbraw/zinc/29/42/70/524294270.db2.gz HWBBJJOLYJKBTO-MRVPVSSYSA-N 1 0 257.721 2.610 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000155985663 524386434 /nfs/dbraw/zinc/38/64/34/524386434.db2.gz FPGJVINMTXGMAS-RYUDHWBXSA-N 1 0 291.351 2.559 20 5 CFBDRO C[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000310919015 524506008 /nfs/dbraw/zinc/50/60/08/524506008.db2.gz ZVIVHBZJXDKHCM-SECBINFHSA-N 1 0 271.748 2.858 20 5 CFBDRO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000214034672 524513054 /nfs/dbraw/zinc/51/30/54/524513054.db2.gz YVCQOBDAPZFTEN-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@H]1C[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391041 524895436 /nfs/dbraw/zinc/89/54/36/524895436.db2.gz ZZAJCRQRVYVUEO-DZGCQCFKSA-N 1 0 292.379 2.884 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](C)C[NH+](C)C ZINC000311097158 524909616 /nfs/dbraw/zinc/90/96/16/524909616.db2.gz JKOFNCMFUAOSJM-JTQLQIEISA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000230061483 525457264 /nfs/dbraw/zinc/45/72/64/525457264.db2.gz QSUPDHJUCJMGMA-NEPJUHHUSA-N 1 0 264.325 2.672 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000300635520 525464151 /nfs/dbraw/zinc/46/41/51/525464151.db2.gz LACDKXFACCENEW-KGLIPLIRSA-N 1 0 294.351 2.507 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000312466375 525561267 /nfs/dbraw/zinc/56/12/67/525561267.db2.gz QNVIKGNRWKGJFY-SGMGOOAPSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000049575311 525570084 /nfs/dbraw/zinc/57/00/84/525570084.db2.gz IGUKWZBIOMMATM-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230152446 525582548 /nfs/dbraw/zinc/58/25/48/525582548.db2.gz SOSIBUMSVIEMDJ-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000250079967 525588990 /nfs/dbraw/zinc/58/89/90/525588990.db2.gz OZASYKWFRVDGCI-BSLXNSKLSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361158039 525654431 /nfs/dbraw/zinc/65/44/31/525654431.db2.gz YVLYHKRQZHFTMU-RTIZMKJZSA-N 1 0 289.379 2.632 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246514747 525709761 /nfs/dbraw/zinc/70/97/61/525709761.db2.gz FLULUTIBLLVLRF-GOEBONIOSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000311448358 525725273 /nfs/dbraw/zinc/72/52/73/525725273.db2.gz RKTKGECXNCYGBC-LLVKDONJSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1c(C[NH2+][C@]2(C)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000235610472 525731488 /nfs/dbraw/zinc/73/14/88/525731488.db2.gz JWIHZILNIIHGHG-BXUZGUMPSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccncc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000162704839 525748104 /nfs/dbraw/zinc/74/81/04/525748104.db2.gz GLTJILKBJTZJMA-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCS1 ZINC000148063709 534886788 /nfs/dbraw/zinc/88/67/88/534886788.db2.gz BFLBQQXSMYWKOZ-NSHDSACASA-N 1 0 252.339 2.580 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cccc1[N+](=O)[O-] ZINC000166262343 525897001 /nfs/dbraw/zinc/89/70/01/525897001.db2.gz VFSKQLQJCDGFIG-WBMJQRKESA-N 1 0 291.395 2.894 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000305128811 525918829 /nfs/dbraw/zinc/91/88/29/525918829.db2.gz JGQOLIXWGAOTAC-SWLSCSKDSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000361352895 525920567 /nfs/dbraw/zinc/92/05/67/525920567.db2.gz RRAANDNVFZYFSO-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000162723256 526062469 /nfs/dbraw/zinc/06/24/69/526062469.db2.gz RQSHNOMJYFXDPU-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360264123 526220652 /nfs/dbraw/zinc/22/06/52/526220652.db2.gz CFOUHQHXQSYVEJ-MNOVXSKESA-N 1 0 280.372 2.633 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000364990537 527351662 /nfs/dbraw/zinc/35/16/62/527351662.db2.gz JAUAUWBVWLWGQP-CXAGYDPISA-N 1 0 298.342 2.905 20 5 CFBDRO [NH3+][C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000157433008 527377775 /nfs/dbraw/zinc/37/77/75/527377775.db2.gz FQDNDRLDSAKGPX-CABCVRRESA-N 1 0 283.331 2.829 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000052926169 527386754 /nfs/dbraw/zinc/38/67/54/527386754.db2.gz DNOIUFVNVFTIGL-UHFFFAOYSA-N 1 0 268.316 2.852 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C(C1CC1)C1CC1 ZINC000062726430 527399252 /nfs/dbraw/zinc/39/92/52/527399252.db2.gz DOCYYIFEGLZZQG-UHFFFAOYSA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156405435 527400155 /nfs/dbraw/zinc/40/01/55/527400155.db2.gz JLZQRJYELCPPHW-OAHLLOKOSA-N 1 0 299.330 2.643 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCCCCC1 ZINC000051093693 527404743 /nfs/dbraw/zinc/40/47/43/527404743.db2.gz QQSNJEWMNBZPHT-UHFFFAOYSA-N 1 0 264.325 2.850 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000414530028 527501191 /nfs/dbraw/zinc/50/11/91/527501191.db2.gz WNGDSXYCBRDPOP-GSEQPPCLSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000414614594 528348510 /nfs/dbraw/zinc/34/85/10/528348510.db2.gz HHFACYDRFYNPOD-LLVKDONJSA-N 1 0 294.286 2.830 20 5 CFBDRO CC(C)n1cncc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000424156868 528625560 /nfs/dbraw/zinc/62/55/60/528625560.db2.gz MMPPQIPKSZRXJI-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[C@@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423342593 529157651 /nfs/dbraw/zinc/15/76/51/529157651.db2.gz YYYMLKZRVRDAHM-CYBMUJFWSA-N 1 0 263.341 2.517 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192890250 529332912 /nfs/dbraw/zinc/33/29/12/529332912.db2.gz UARXXYFQEJXVLF-DOMZBBRYSA-N 1 0 278.352 2.723 20 5 CFBDRO CCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435377767 535388298 /nfs/dbraw/zinc/38/82/98/535388298.db2.gz ASQRNOPOTWAJAS-GFCCVEGCSA-N 1 0 283.397 2.620 20 5 CFBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC001155019793 782168356 /nfs/dbraw/zinc/16/83/56/782168356.db2.gz GIYUAFYODROIAE-VHSXEESVSA-N 1 0 298.774 2.691 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444770812 535767373 /nfs/dbraw/zinc/76/73/73/535767373.db2.gz FZCYSMSGWAEBNT-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)O ZINC000453326579 535935789 /nfs/dbraw/zinc/93/57/89/535935789.db2.gz NMPONXDFUXUAEK-NZVBXONLSA-N 1 0 278.352 2.721 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268988733 535977795 /nfs/dbraw/zinc/97/77/95/535977795.db2.gz FOKHFUSFBTZVGS-RYUDHWBXSA-N 1 0 266.341 2.715 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000746047332 574131971 /nfs/dbraw/zinc/13/19/71/574131971.db2.gz MFPTXVGULLCZNZ-GZMMTYOYSA-N 1 0 292.257 2.823 20 5 CFBDRO C[C@H]([NH2+]CCOc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000746047686 574132015 /nfs/dbraw/zinc/13/20/15/574132015.db2.gz PIXJALHANBUETO-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059960 574156806 /nfs/dbraw/zinc/15/68/06/574156806.db2.gz ZMVLBDXGYZFPFL-YPMHNXCESA-N 1 0 266.345 2.649 20 5 CFBDRO CC[N@@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207141 574319237 /nfs/dbraw/zinc/31/92/37/574319237.db2.gz QZRJCOPCAIBAOS-ZFWWWQNUSA-N 1 0 291.395 2.723 20 5 CFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079461 574323204 /nfs/dbraw/zinc/32/32/04/574323204.db2.gz VTYGLNZKDXIIJL-IUODEOHRSA-N 1 0 278.352 2.893 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000750080122 574323412 /nfs/dbraw/zinc/32/34/12/574323412.db2.gz HXVDKRQVGFWPQJ-CQSZACIVSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000742425972 574329938 /nfs/dbraw/zinc/32/99/38/574329938.db2.gz RULUNYCIQUBCAZ-SNVBAGLBSA-N 1 0 267.304 2.630 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934395411 618029730 /nfs/dbraw/zinc/02/97/30/618029730.db2.gz JRPSLMAYQZYJKV-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCC2)ccc1Cl ZINC000221163314 618068986 /nfs/dbraw/zinc/06/89/86/618068986.db2.gz IJOVPMMFJDVIMI-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000175263991 617607657 /nfs/dbraw/zinc/60/76/57/617607657.db2.gz AQLIZVHVBJIWLS-WFASDCNBSA-N 1 0 286.335 2.627 20 5 CFBDRO CCC[C@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891624804 617690007 /nfs/dbraw/zinc/69/00/07/617690007.db2.gz GYZOXLKQZQMBJC-JTQLQIEISA-N 1 0 282.340 2.929 20 5 CFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068628 617935744 /nfs/dbraw/zinc/93/57/44/617935744.db2.gz REMRCBVYBFDXRQ-JQWIXIFHSA-N 1 0 294.351 2.929 20 5 CFBDRO C[NH+](C)C1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000097930308 617989821 /nfs/dbraw/zinc/98/98/21/617989821.db2.gz VGKSTXHVTXCPPQ-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000050015769 618060690 /nfs/dbraw/zinc/06/06/90/618060690.db2.gz AYJLMOWPOXKXIZ-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000050106456 618069338 /nfs/dbraw/zinc/06/93/38/618069338.db2.gz JRZRMDAGUFHYSA-UHFFFAOYSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1cscc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158664031 618075800 /nfs/dbraw/zinc/07/58/00/618075800.db2.gz YGKPMCJMCXHGHO-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000050368526 618117010 /nfs/dbraw/zinc/11/70/10/618117010.db2.gz BEICYZFPTKDMJZ-JKOKRWQUSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988674 618152155 /nfs/dbraw/zinc/15/21/55/618152155.db2.gz XYXISLJAQCLOBZ-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219163972 618165922 /nfs/dbraw/zinc/16/59/22/618165922.db2.gz KMUPQIUWVBWBOS-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC000933210908 618170074 /nfs/dbraw/zinc/17/00/74/618170074.db2.gz YDVIOMJASBPGJM-MRXNPFEDSA-N 1 0 290.363 2.638 20 5 CFBDRO C[C@@H]1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235390888 618259564 /nfs/dbraw/zinc/25/95/64/618259564.db2.gz FMMLVKFGXMXKCS-HTQZYQBOSA-N 1 0 287.722 2.940 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235443397 618315403 /nfs/dbraw/zinc/31/54/03/618315403.db2.gz FMMLVKFGXMXKCS-SFYZADRCSA-N 1 0 287.722 2.940 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC23CCCC3)c1[N+](=O)[O-] ZINC000895136957 618365510 /nfs/dbraw/zinc/36/55/10/618365510.db2.gz DXQFVHKJUCUXDX-UHFFFAOYSA-N 1 0 292.335 2.828 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC2CCCC2)c1[N+](=O)[O-] ZINC000892506934 618417726 /nfs/dbraw/zinc/41/77/26/618417726.db2.gz OXEFGTWZTZZIOY-UHFFFAOYSA-N 1 0 294.351 2.979 20 5 CFBDRO Cc1cc(N2CC[C@H](CC[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000895324780 618534344 /nfs/dbraw/zinc/53/43/44/618534344.db2.gz KHRWIMDSMKZQAF-LBPRGKRZSA-N 1 0 295.358 2.820 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1CSC1 ZINC000895422402 618582928 /nfs/dbraw/zinc/58/29/28/618582928.db2.gz BBGGQEJEXFJZQZ-HWKANZROSA-N 1 0 264.350 2.561 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCc1cc(N(C)C)cc[nH+]1 ZINC000895466940 618600725 /nfs/dbraw/zinc/60/07/25/618600725.db2.gz YKJGSYMNJSSCAQ-UHFFFAOYSA-N 1 0 286.335 2.976 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000892620692 618658048 /nfs/dbraw/zinc/65/80/48/618658048.db2.gz DDBFADMVKYJKOY-NSHDSACASA-N 1 0 288.351 2.970 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000892686380 618709586 /nfs/dbraw/zinc/70/95/86/618709586.db2.gz KCDVTZPPNICDJC-VIFPVBQESA-N 1 0 280.324 2.587 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000892745424 618738517 /nfs/dbraw/zinc/73/85/17/618738517.db2.gz PJSXQILHOSTCKD-LLVKDONJSA-N 1 0 292.335 2.755 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C(C)(C)C2CC2)c1[N+](=O)[O-] ZINC000892958141 618783086 /nfs/dbraw/zinc/78/30/86/618783086.db2.gz XZOSRAWBKRGGES-UHFFFAOYSA-N 1 0 280.324 2.587 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000926891226 618806056 /nfs/dbraw/zinc/80/60/56/618806056.db2.gz HOPBVSSIPNRCIU-RIEGTJTDSA-N 1 0 276.336 2.813 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC2CCC2)c1[N+](=O)[O-] ZINC000893152241 618848948 /nfs/dbraw/zinc/84/89/48/618848948.db2.gz UQPRZSKFQQWBOR-UHFFFAOYSA-N 1 0 280.324 2.589 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582030 618931182 /nfs/dbraw/zinc/93/11/82/618931182.db2.gz OPFIKUIUKYPZCY-TZMCWYRMSA-N 1 0 264.325 2.503 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313046899 618973581 /nfs/dbraw/zinc/97/35/81/618973581.db2.gz WZFXWMOYNFDXNV-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO [NH3+]CC[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633671 619041659 /nfs/dbraw/zinc/04/16/59/619041659.db2.gz LZGFTZSECJHXFP-CYBMUJFWSA-N 1 0 297.786 2.952 20 5 CFBDRO C[C@@H](Cc1cnccn1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000726606087 619253273 /nfs/dbraw/zinc/25/32/73/619253273.db2.gz SOOAHXQDFJOJMD-AGLBCWCQSA-N 1 0 298.346 2.619 20 5 CFBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261794330 619271915 /nfs/dbraw/zinc/27/19/15/619271915.db2.gz GIVPZHLJMYGCST-GFCCVEGCSA-N 1 0 297.786 2.822 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000894238466 619275159 /nfs/dbraw/zinc/27/51/59/619275159.db2.gz DNQZZSGTXJCYOS-GHMZBOCLSA-N 1 0 294.351 2.835 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000894238470 619275247 /nfs/dbraw/zinc/27/52/47/619275247.db2.gz DNQZZSGTXJCYOS-QWRGUYRKSA-N 1 0 294.351 2.835 20 5 CFBDRO CCCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000262004983 619365898 /nfs/dbraw/zinc/36/58/98/619365898.db2.gz ULDDEOKAAOEPDO-GFCCVEGCSA-N 1 0 297.786 2.822 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C(C)(C)C2CCC2)c1[N+](=O)[O-] ZINC000894723929 619454058 /nfs/dbraw/zinc/45/40/58/619454058.db2.gz WVDBDWBVTDSUDK-UHFFFAOYSA-N 1 0 294.351 2.977 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087028576 619485406 /nfs/dbraw/zinc/48/54/06/619485406.db2.gz MXXBJTIPWCPNOW-UHFFFAOYSA-N 1 0 286.759 2.889 20 5 CFBDRO CCC[C@@H](C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895532322 619548640 /nfs/dbraw/zinc/54/86/40/619548640.db2.gz MPXQJQFMDUFEQI-PNESKVBLSA-N 1 0 280.372 2.911 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000895741052 619594003 /nfs/dbraw/zinc/59/40/03/619594003.db2.gz XMTZXNBUBLGQQF-ZWNOBZJWSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737247 619597182 /nfs/dbraw/zinc/59/71/82/619597182.db2.gz OEHUZGJBEYEHME-QMTHXVAHSA-N 1 0 286.335 2.648 20 5 CFBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000895769768 619603313 /nfs/dbraw/zinc/60/33/13/619603313.db2.gz IAVXFCLHOJOWBN-LBPRGKRZSA-N 1 0 293.367 2.888 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCn2cccc2C1 ZINC000896760025 619808180 /nfs/dbraw/zinc/80/81/80/619808180.db2.gz HPUIIVYNQXHRRG-UTCJRWHESA-N 1 0 283.331 2.925 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000020526288 619844381 /nfs/dbraw/zinc/84/43/81/619844381.db2.gz RBCCXZFGYWSBFA-GYSYKLTISA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000897461399 620176619 /nfs/dbraw/zinc/17/66/19/620176619.db2.gz ODBHSPLGSQJHNQ-NWDGAFQWSA-N 1 0 286.335 2.839 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000897461401 620176653 /nfs/dbraw/zinc/17/66/53/620176653.db2.gz ODBHSPLGSQJHNQ-VXGBXAGGSA-N 1 0 286.335 2.839 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464351 620176722 /nfs/dbraw/zinc/17/67/22/620176722.db2.gz LOUHKDAEKOQAMH-DYEKYZERSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+]CC1(F)CC1)c1ccccc1[N+](=O)[O-] ZINC000897463039 620176984 /nfs/dbraw/zinc/17/69/84/620176984.db2.gz AIMKPFYBOAKJDN-SNVBAGLBSA-N 1 0 252.289 2.790 20 5 CFBDRO COCC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466031 620177138 /nfs/dbraw/zinc/17/71/38/620177138.db2.gz MQORUGPGRQCKQU-RYUDHWBXSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463688 620177203 /nfs/dbraw/zinc/17/72/03/620177203.db2.gz BJKHRLXLDYRFCR-YNEHKIRRSA-N 1 0 278.352 2.855 20 5 CFBDRO COC[C@H](C)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464879 620177215 /nfs/dbraw/zinc/17/72/15/620177215.db2.gz PSWCJCREHURWQE-VXGBXAGGSA-N 1 0 266.341 2.570 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCC4(CC4)C3)C2)c1 ZINC000897772570 620279237 /nfs/dbraw/zinc/27/92/37/620279237.db2.gz YDEQYJQASDHLPX-PNESKVBLSA-N 1 0 290.367 2.807 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CC23CC(O)C3)cc1[N+](=O)[O-] ZINC000897852021 620294132 /nfs/dbraw/zinc/29/41/32/620294132.db2.gz GXZHSWIHNQPZRW-NRAUKZCXSA-N 1 0 290.363 2.721 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1[N+](=O)[O-] ZINC000897953453 620310143 /nfs/dbraw/zinc/31/01/43/620310143.db2.gz PIWQFVDACOINBD-RWMBFGLXSA-N 1 0 276.336 2.882 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn(C)cn1 ZINC000898043111 620328520 /nfs/dbraw/zinc/32/85/20/620328520.db2.gz FBDJLUSAQRLAGS-WUXMJOGZSA-N 1 0 286.335 2.521 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832571286 625417188 /nfs/dbraw/zinc/41/71/88/625417188.db2.gz ZXPKYAHKUBTLQB-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565056 625417544 /nfs/dbraw/zinc/41/75/44/625417544.db2.gz NGIKUIUUUAWWNS-SMDDNHRTSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CCOCC1 ZINC000111161449 620427407 /nfs/dbraw/zinc/42/74/07/620427407.db2.gz KOUHOYBYSLDUCY-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C/Cl)CC2)cc1 ZINC000898433010 620463499 /nfs/dbraw/zinc/46/34/99/620463499.db2.gz KIOQYCFSKKVWGU-UNXLUWIOSA-N 1 0 295.770 2.906 20 5 CFBDRO C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902445964 621083863 /nfs/dbraw/zinc/08/38/63/621083863.db2.gz RCHWTONJGAHUOE-YMRXKLBXSA-N 1 0 297.358 2.870 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000902448998 621091004 /nfs/dbraw/zinc/09/10/04/621091004.db2.gz KLNUOGDBYGYBJJ-SMDDNHRTSA-N 1 0 277.368 2.552 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC(C)C)cc([N+](=O)[O-])c1 ZINC000903055905 621235615 /nfs/dbraw/zinc/23/56/15/621235615.db2.gz NBLOHLWGPBSHNA-JTQLQIEISA-N 1 0 252.314 2.910 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903099015 621252037 /nfs/dbraw/zinc/25/20/37/621252037.db2.gz XDWCRHLZTHBPAQ-PWSUYJOCSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903100366 621252602 /nfs/dbraw/zinc/25/26/02/621252602.db2.gz QZVCRUJJHJSVGF-WOPDTQHZSA-N 1 0 296.367 2.661 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000903104135 621254563 /nfs/dbraw/zinc/25/45/63/621254563.db2.gz QRZRMNWDVDGVKN-HNNXBMFYSA-N 1 0 290.363 2.829 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157216 621269761 /nfs/dbraw/zinc/26/97/61/621269761.db2.gz ATHINVIRXWMQNO-HBNTYKKESA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903159373 621270846 /nfs/dbraw/zinc/27/08/46/621270846.db2.gz HBNXCPUHYMMDKS-PGUXBMHVSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903147675 621272581 /nfs/dbraw/zinc/27/25/81/621272581.db2.gz RLHKXUVJEAEHKB-LLVKDONJSA-N 1 0 294.351 2.823 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903151417 621273266 /nfs/dbraw/zinc/27/32/66/621273266.db2.gz DTUFJVNEBJOXNP-WPCUQIPDSA-N 1 0 294.351 2.581 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903172026 621273726 /nfs/dbraw/zinc/27/37/26/621273726.db2.gz LXJHSKBMRUOLTL-MFKMUULPSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903170700 621279781 /nfs/dbraw/zinc/27/97/81/621279781.db2.gz ATHINVIRXWMQNO-OUAUKWLOSA-N 1 0 282.340 2.677 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903210154 621288950 /nfs/dbraw/zinc/28/89/50/621288950.db2.gz UELODLOIOGZABU-DGCLKSJQSA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903264540 621304763 /nfs/dbraw/zinc/30/47/63/621304763.db2.gz RQKHKTPWAKGNOU-KMUNFCNLSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286841 621318300 /nfs/dbraw/zinc/31/83/00/621318300.db2.gz ICZMUSOUUHCTFD-HSMVNMDESA-N 1 0 289.379 2.728 20 5 CFBDRO CC[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406307 621362078 /nfs/dbraw/zinc/36/20/78/621362078.db2.gz UYNKWFDGVCVNOW-GJZGRUSLSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903437997 621375315 /nfs/dbraw/zinc/37/53/15/621375315.db2.gz RORVTLISDZZLEX-GLQYFDAESA-N 1 0 290.363 2.979 20 5 CFBDRO Cc1c(CN[C@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000903486350 621394237 /nfs/dbraw/zinc/39/42/37/621394237.db2.gz UVRHACPQWYLMEB-HNNXBMFYSA-N 1 0 289.379 2.668 20 5 CFBDRO CC(C)(C)CC[C@@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000904363096 621585524 /nfs/dbraw/zinc/58/55/24/621585524.db2.gz BBAFAWIVSKDSFG-CYBMUJFWSA-N 1 0 279.384 2.838 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccs2)CCCCC1 ZINC000905132252 621706919 /nfs/dbraw/zinc/70/69/19/621706919.db2.gz HIXVZAVAISFYFE-UHFFFAOYSA-N 1 0 268.382 2.816 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000905279984 621737410 /nfs/dbraw/zinc/73/74/10/621737410.db2.gz LNGAFSGVXUHZCW-YPMHNXCESA-N 1 0 268.744 2.842 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000905508945 621783722 /nfs/dbraw/zinc/78/37/22/621783722.db2.gz MPDGZDCLFFRFRW-VNQPRFMTSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CO)CCC2)c1 ZINC000184374810 625595944 /nfs/dbraw/zinc/59/59/44/625595944.db2.gz ITOSNSKLJJVUEK-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000225511915 623043297 /nfs/dbraw/zinc/04/32/97/623043297.db2.gz VDCWFWGLAZUZLN-RYUDHWBXSA-N 1 0 266.366 2.969 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccncc2C)cc1[N+](=O)[O-] ZINC000228661716 623156050 /nfs/dbraw/zinc/15/60/50/623156050.db2.gz AOZVSWPQGOSBBT-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000171640076 623236057 /nfs/dbraw/zinc/23/60/57/623236057.db2.gz TVGAJAIBMQKWLX-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171859452 623245863 /nfs/dbraw/zinc/24/58/63/623245863.db2.gz UTYZIXUMSQPGJG-UHFFFAOYSA-N 1 0 284.331 2.718 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823200207 623260100 /nfs/dbraw/zinc/26/01/00/623260100.db2.gz RSZVZCYVTUBEDF-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000231675457 623362388 /nfs/dbraw/zinc/36/23/88/623362388.db2.gz CNBUNUJDSKDXCE-QJPTWQEYSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c(C[NH2+]CCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000231885404 623373218 /nfs/dbraw/zinc/37/32/18/623373218.db2.gz APPIKBJGOVWBMT-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929751443 623562344 /nfs/dbraw/zinc/56/23/44/623562344.db2.gz VMSLUXCYYMDDPO-CQSZACIVSA-N 1 0 268.332 2.601 20 5 CFBDRO CC(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000312810283 623631749 /nfs/dbraw/zinc/63/17/49/623631749.db2.gz IDMHGXMKKQKSIE-UHFFFAOYSA-N 1 0 299.758 2.965 20 5 CFBDRO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[C@H]1O ZINC000827152058 623955080 /nfs/dbraw/zinc/95/50/80/623955080.db2.gz PWTKXZVILSINQC-MSRIBSCDSA-N 1 0 298.770 2.697 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000827287320 623982509 /nfs/dbraw/zinc/98/25/09/623982509.db2.gz IPDQBHVNCNGOSN-CYBMUJFWSA-N 1 0 291.351 2.694 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000915208257 623998694 /nfs/dbraw/zinc/99/86/94/623998694.db2.gz DEKBZBOHQALRBK-BNOWGMLFSA-N 1 0 278.356 2.649 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000916473323 624248461 /nfs/dbraw/zinc/24/84/61/624248461.db2.gz CFVDYBQSRWNEBS-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000830333905 624712516 /nfs/dbraw/zinc/71/25/16/624712516.db2.gz OHERSYSDLPNKCU-XYPYZODXSA-N 1 0 282.315 2.878 20 5 CFBDRO O=[N+]([O-])c1ccc(/C=C\SCC2CC[NH2+]CC2)o1 ZINC000830477437 624757266 /nfs/dbraw/zinc/75/72/66/624757266.db2.gz PCSVDIYMHIMTRQ-YVMONPNESA-N 1 0 268.338 2.891 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831392870 625008273 /nfs/dbraw/zinc/00/82/73/625008273.db2.gz KODZYXYXDIZIQY-CUOATXAZSA-N 1 0 296.342 2.883 20 5 CFBDRO CSCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000069446707 625123220 /nfs/dbraw/zinc/12/32/20/625123220.db2.gz JKVCRDMJFJOTEC-UHFFFAOYSA-N 1 0 254.355 2.746 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(OCCCCCCC[NH3+])n1 ZINC000818619654 625976977 /nfs/dbraw/zinc/97/69/77/625976977.db2.gz IITGTJGZKMNUKP-UHFFFAOYSA-N 1 0 281.356 2.895 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000922735620 626353001 /nfs/dbraw/zinc/35/30/01/626353001.db2.gz RVWCGIWFDCDDRR-GXSJLCMTSA-N 1 0 274.242 2.883 20 5 CFBDRO CS[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000162698116 626402814 /nfs/dbraw/zinc/40/28/14/626402814.db2.gz IHJQMYIRDSIITB-SECBINFHSA-N 1 0 254.355 2.744 20 5 CFBDRO Cc1ccc(NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nc1 ZINC000922924630 626425560 /nfs/dbraw/zinc/42/55/60/626425560.db2.gz GCLOLKBMHUGYMN-UHFFFAOYSA-N 1 0 292.364 2.561 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC000923026648 626443846 /nfs/dbraw/zinc/44/38/46/626443846.db2.gz BXIVBGRFPOXIEK-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000923031174 626444430 /nfs/dbraw/zinc/44/44/30/626444430.db2.gz VKECQWRWJBMOKB-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000838905693 626513208 /nfs/dbraw/zinc/51/32/08/626513208.db2.gz UTSMTZMJQIRTDL-UHFFFAOYSA-N 1 0 294.351 2.664 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000757704250 626559310 /nfs/dbraw/zinc/55/93/10/626559310.db2.gz IIQLVTXURXGSQY-NSHDSACASA-N 1 0 294.351 2.705 20 5 CFBDRO CN(Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512796 626841812 /nfs/dbraw/zinc/84/18/12/626841812.db2.gz XGMCDBGNDSQTJP-UHFFFAOYSA-N 1 0 280.715 2.603 20 5 CFBDRO CCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764946582 627108207 /nfs/dbraw/zinc/10/82/07/627108207.db2.gz VDBDWRSVVPKBTM-UHFFFAOYSA-N 1 0 262.313 2.552 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636524 627152138 /nfs/dbraw/zinc/15/21/38/627152138.db2.gz QJYNRDNLKWNCPN-QWRGUYRKSA-N 1 0 281.331 2.653 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000765640992 627152546 /nfs/dbraw/zinc/15/25/46/627152546.db2.gz IRQBBOHXSFYCIS-NWDGAFQWSA-N 1 0 263.341 2.514 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC(OC(C)C)C2)cc1[N+](=O)[O-] ZINC000769937115 627489587 /nfs/dbraw/zinc/48/95/87/627489587.db2.gz LYWQVUGVWOTDPO-UHFFFAOYSA-N 1 0 278.352 2.949 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000771234470 627587051 /nfs/dbraw/zinc/58/70/51/627587051.db2.gz SBNRKSCUVFRCLE-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774853037 627971747 /nfs/dbraw/zinc/97/17/47/627971747.db2.gz MLUBDXNCGYGJGN-LLVKDONJSA-N 1 0 279.296 2.877 20 5 CFBDRO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550002 628035784 /nfs/dbraw/zinc/03/57/84/628035784.db2.gz WCMNHJVHOMVBDU-YTRUQHMWSA-N 1 0 292.335 2.673 20 5 CFBDRO CC(C)CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277937 628124856 /nfs/dbraw/zinc/12/48/56/628124856.db2.gz QZPMINQKTHPROP-CQSZACIVSA-N 1 0 266.341 2.606 20 5 CFBDRO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279934 628125824 /nfs/dbraw/zinc/12/58/24/628125824.db2.gz VBULHOQUHDRFIP-LSDHHAIUSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[N@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579873 628160502 /nfs/dbraw/zinc/16/05/02/628160502.db2.gz PBFWLCLXIGIMHG-HNNXBMFYSA-N 1 0 280.368 2.996 20 5 CFBDRO CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581817 628160677 /nfs/dbraw/zinc/16/06/77/628160677.db2.gz MOPHGTJVOICXOX-CQSZACIVSA-N 1 0 264.325 2.503 20 5 CFBDRO CCC(C)(C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593207 628162949 /nfs/dbraw/zinc/16/29/49/628162949.db2.gz RMIGFXSXUSYWPL-ZDUSSCGKSA-N 1 0 266.341 2.749 20 5 CFBDRO CC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777951437 628267150 /nfs/dbraw/zinc/26/71/50/628267150.db2.gz JMOHVYSDUZCWAT-UHFFFAOYSA-N 1 0 286.335 2.900 20 5 CFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000779429010 628381252 /nfs/dbraw/zinc/38/12/52/628381252.db2.gz MSSHMIBAZBYJOK-GFCCVEGCSA-N 1 0 277.368 2.761 20 5 CFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860976 628415267 /nfs/dbraw/zinc/41/52/67/628415267.db2.gz LKMVCCWAFZAZGY-WCQYABFASA-N 1 0 280.372 2.958 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981954 628594699 /nfs/dbraw/zinc/59/46/99/628594699.db2.gz LZMMMDPLUJRYOK-GOEBONIOSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000783639069 628729759 /nfs/dbraw/zinc/72/97/59/628729759.db2.gz YBKPUXZSFIOHQA-CMPLNLGQSA-N 1 0 297.786 2.821 20 5 CFBDRO O=[N+]([O-])c1ccc(CNCCC[NH+]2CCCC2)cc1Cl ZINC000783653303 628731034 /nfs/dbraw/zinc/73/10/34/628731034.db2.gz QOKUWUZNTVHFDM-UHFFFAOYSA-N 1 0 297.786 2.824 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783656452 628731900 /nfs/dbraw/zinc/73/19/00/628731900.db2.gz UMKLWVZZHOEOCM-NSHDSACASA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659052 628731979 /nfs/dbraw/zinc/73/19/79/628731979.db2.gz FYLYMOQUIXPDID-CMPLNLGQSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783667927 628732817 /nfs/dbraw/zinc/73/28/17/628732817.db2.gz VCYHNRLMOFYHRM-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000805820745 628982014 /nfs/dbraw/zinc/98/20/14/628982014.db2.gz VWJZOQHWQMXYGD-UHFFFAOYSA-N 1 0 282.315 2.733 20 5 CFBDRO Cc1c(COC(=O)[C@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000787960192 629044075 /nfs/dbraw/zinc/04/40/75/629044075.db2.gz HOTUKEHNSBKRCC-AWEZNQCLSA-N 1 0 294.351 2.533 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000788489892 629074361 /nfs/dbraw/zinc/07/43/61/629074361.db2.gz TWJLXDRXTCQINW-GXTWGEPZSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000788489893 629074668 /nfs/dbraw/zinc/07/46/68/629074668.db2.gz TWJLXDRXTCQINW-JSGCOSHPSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@H](NCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500036 629075057 /nfs/dbraw/zinc/07/50/57/629075057.db2.gz YDXXPUSQIAXQCV-VIFPVBQESA-N 1 0 261.281 2.621 20 5 CFBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000835086885 629385713 /nfs/dbraw/zinc/38/57/13/629385713.db2.gz MUZSLNHEMOIWAZ-ONGXEEELSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000793537959 629565979 /nfs/dbraw/zinc/56/59/79/629565979.db2.gz ZFVPBEIUQLMEGE-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1ccc(COC(=O)[C@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000835479230 629767737 /nfs/dbraw/zinc/76/77/37/629767737.db2.gz HHWRGGZFGBYPQT-AWEZNQCLSA-N 1 0 294.351 2.533 20 5 CFBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534982 634773147 /nfs/dbraw/zinc/77/31/47/634773147.db2.gz SPYHJHQZXRPQHO-BXUZGUMPSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533564 634773339 /nfs/dbraw/zinc/77/33/39/634773339.db2.gz AZMWAGSCWOJFRX-RISCZKNCSA-N 1 0 296.754 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533455 634773414 /nfs/dbraw/zinc/77/34/14/634773414.db2.gz UWVUEALCOSQIJN-IUODEOHRSA-N 1 0 296.342 2.700 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000796514498 629929259 /nfs/dbraw/zinc/92/92/59/629929259.db2.gz DEBBOMVDHYPDED-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO CC1=C(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796592135 629939700 /nfs/dbraw/zinc/93/97/00/629939700.db2.gz AZPAIJXPXZYPPP-HNNXBMFYSA-N 1 0 276.336 2.670 20 5 CFBDRO CC1(C)CCC[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800870232 630413258 /nfs/dbraw/zinc/41/32/58/630413258.db2.gz NFQVMTDCHJPBQU-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000801520917 630452516 /nfs/dbraw/zinc/45/25/16/630452516.db2.gz KLHACFIEIHCQLK-OCCSQVGLSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545217 630456207 /nfs/dbraw/zinc/45/62/07/630456207.db2.gz KXMYOXXDEYPUJC-HFAKWTLXSA-N 1 0 296.342 2.715 20 5 CFBDRO C[N@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852747758 634821833 /nfs/dbraw/zinc/82/18/33/634821833.db2.gz WEMQLFZNJPOQIP-UHFFFAOYSA-N 1 0 282.340 2.839 20 5 CFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C[NH3+])C1 ZINC000852759081 634826547 /nfs/dbraw/zinc/82/65/47/634826547.db2.gz JGVRRCSYQJOVEB-MFKMUULPSA-N 1 0 297.786 2.807 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C)CC1 ZINC000804404570 630679685 /nfs/dbraw/zinc/67/96/85/630679685.db2.gz RUWNXMPALFPAFK-UHFFFAOYSA-N 1 0 291.351 2.551 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807940293 630924713 /nfs/dbraw/zinc/92/47/13/630924713.db2.gz UONKGMVDFAAJGO-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000840764125 631220660 /nfs/dbraw/zinc/22/06/60/631220660.db2.gz NHRATXHIHOAYPJ-WCFLWFBJSA-N 1 0 293.367 2.784 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809723880 631271212 /nfs/dbraw/zinc/27/12/12/631271212.db2.gz RETMCHUHUIMTEJ-LLVKDONJSA-N 1 0 286.759 2.602 20 5 CFBDRO [NH3+]CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735279 631274069 /nfs/dbraw/zinc/27/40/69/631274069.db2.gz ZCEAXGUKZGDBEI-UHFFFAOYSA-N 1 0 277.349 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCOC2)cc1Cl ZINC000809778983 631286539 /nfs/dbraw/zinc/28/65/39/631286539.db2.gz ZVVKXPVTUCHGMN-UHFFFAOYSA-N 1 0 282.727 2.685 20 5 CFBDRO [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028043 631308918 /nfs/dbraw/zinc/30/89/18/631308918.db2.gz JZQXQYXLNKHPMP-WCQYABFASA-N 1 0 297.786 2.855 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105511 631340896 /nfs/dbraw/zinc/34/08/96/631340896.db2.gz RPBFIRHSSIXAHG-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO C[C@@H]1[C@H](C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000841691351 631452282 /nfs/dbraw/zinc/45/22/82/631452282.db2.gz CHUFVZXUFDXXOW-UTUOFQBUSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@@H]1[C@H](C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000842167185 631560019 /nfs/dbraw/zinc/56/00/19/631560019.db2.gz SDUHQEMMJANQNJ-FJJYHAOUSA-N 1 0 278.352 2.605 20 5 CFBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000811519093 631576857 /nfs/dbraw/zinc/57/68/57/631576857.db2.gz VLZLIBHARHPLAH-SNVBAGLBSA-N 1 0 272.732 2.763 20 5 CFBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000811821880 631628094 /nfs/dbraw/zinc/62/80/94/631628094.db2.gz UEZWBYGCQXPMHU-GJZGRUSLSA-N 1 0 290.363 2.749 20 5 CFBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635228 631687901 /nfs/dbraw/zinc/68/79/01/631687901.db2.gz LAQSRGGXLBWQQO-GXTWGEPZSA-N 1 0 292.383 2.897 20 5 CFBDRO O=[N+]([O-])c1ccc(/C=C\c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000842645961 631691497 /nfs/dbraw/zinc/69/14/97/631691497.db2.gz NMBXDOFLELTUGO-JECSTDCCSA-N 1 0 286.291 2.573 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842929589 631784313 /nfs/dbraw/zinc/78/43/13/631784313.db2.gz NPNDVHYOLGWXPY-HOTUBEGUSA-N 1 0 281.381 2.722 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(C[NH3+])CCC1 ZINC000843124995 631844140 /nfs/dbraw/zinc/84/41/40/631844140.db2.gz KSTIFUKJDVLHLM-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000843150484 631863979 /nfs/dbraw/zinc/86/39/79/631863979.db2.gz JFMIRCWFUSOAOB-JTQLQIEISA-N 1 0 296.714 2.954 20 5 CFBDRO Cc1ccc(-c2noc(CCC(C)(C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000843178883 631882527 /nfs/dbraw/zinc/88/25/27/631882527.db2.gz OVNQXVAEZHTXIN-UHFFFAOYSA-N 1 0 290.323 2.623 20 5 CFBDRO COC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000813330794 631903011 /nfs/dbraw/zinc/90/30/11/631903011.db2.gz AKZXHEJFBPCBTM-ZDUSSCGKSA-N 1 0 294.351 2.520 20 5 CFBDRO COC(=O)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000813333182 631905289 /nfs/dbraw/zinc/90/52/89/631905289.db2.gz JYZUJGVNAMRXRC-CYBMUJFWSA-N 1 0 294.351 2.520 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843361755 631938196 /nfs/dbraw/zinc/93/81/96/631938196.db2.gz QLVYOTOHZWWRBI-ZDUSSCGKSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccnc2Cl)cc1 ZINC000105448143 632134663 /nfs/dbraw/zinc/13/46/63/632134663.db2.gz SRBDDMZMDQHBEG-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815607304 632296580 /nfs/dbraw/zinc/29/65/80/632296580.db2.gz VTLMDTGNVDXUQY-VIFPVBQESA-N 1 0 261.325 2.770 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846183265 632655444 /nfs/dbraw/zinc/65/54/44/632655444.db2.gz GUNRPRWSCYNIIP-COPLHBTASA-N 1 0 295.383 2.625 20 5 CFBDRO COc1ccc(OCCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000818617678 632880849 /nfs/dbraw/zinc/88/08/49/632880849.db2.gz GWFOMZNENIERGW-UHFFFAOYSA-N 1 0 282.340 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000818979434 632920845 /nfs/dbraw/zinc/92/08/45/632920845.db2.gz MCAGCZYASUTCDD-IUODEOHRSA-N 1 0 276.336 2.574 20 5 CFBDRO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCS1 ZINC000819152853 632986889 /nfs/dbraw/zinc/98/68/89/632986889.db2.gz CXXKHRZBZBRCBO-UONOGXRCSA-N 1 0 296.392 2.504 20 5 CFBDRO CCCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819155627 632988553 /nfs/dbraw/zinc/98/85/53/632988553.db2.gz OLWNIJIPCBRFKZ-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO CC(C)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819185718 633006002 /nfs/dbraw/zinc/00/60/02/633006002.db2.gz LAGIZNPIFVOKGE-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000819249979 633039404 /nfs/dbraw/zinc/03/94/04/633039404.db2.gz QNDOGSZBCPOIPA-NWDGAFQWSA-N 1 0 291.351 2.702 20 5 CFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819347474 633099361 /nfs/dbraw/zinc/09/93/61/633099361.db2.gz BVOYNBWKFLWDSU-QEJZJMRPSA-N 1 0 278.352 2.510 20 5 CFBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC000848506009 633268331 /nfs/dbraw/zinc/26/83/31/633268331.db2.gz NBMIGJNEFUUGJX-CYBMUJFWSA-N 1 0 278.356 2.794 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848524931 633276066 /nfs/dbraw/zinc/27/60/66/633276066.db2.gz IFRQWEFFZRRPNQ-BXUZGUMPSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848526259 633277129 /nfs/dbraw/zinc/27/71/29/633277129.db2.gz VAYVUVOGQHOCSK-XHDPSFHLSA-N 1 0 298.346 2.593 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC=CO1 ZINC000848548029 633285962 /nfs/dbraw/zinc/28/59/62/633285962.db2.gz TYWLZDKLNOQPQV-BXUZGUMPSA-N 1 0 274.320 2.864 20 5 CFBDRO Nc1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000848786458 633343693 /nfs/dbraw/zinc/34/36/93/633343693.db2.gz QRVBHKOOHXEAEN-TZMCWYRMSA-N 1 0 290.367 2.606 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCC2CCC2)c1 ZINC000849331104 633620283 /nfs/dbraw/zinc/62/02/83/633620283.db2.gz KAIXXGOJDHRXMW-HNNXBMFYSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850389492 633973606 /nfs/dbraw/zinc/97/36/06/633973606.db2.gz YLCFUMJEABWVJJ-OLZOCXBDSA-N 1 0 296.754 2.641 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000850429204 633989202 /nfs/dbraw/zinc/98/92/02/633989202.db2.gz AKOKUYBXYWQADC-YPMHNXCESA-N 1 0 296.367 2.661 20 5 CFBDRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531948 634038952 /nfs/dbraw/zinc/03/89/52/634038952.db2.gz ORYXXRUPDKZBJW-SECBINFHSA-N 1 0 269.320 2.966 20 5 CFBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858230072 636158802 /nfs/dbraw/zinc/15/88/02/636158802.db2.gz NPSQKELTNOZMTM-YGRLFVJLSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000853134296 634917197 /nfs/dbraw/zinc/91/71/97/634917197.db2.gz PNUCCTZFFDAVBC-OAHLLOKOSA-N 1 0 292.383 2.709 20 5 CFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853588833 635044034 /nfs/dbraw/zinc/04/40/34/635044034.db2.gz HGRLWUPCLWRMOR-CQSZACIVSA-N 1 0 292.383 2.878 20 5 CFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857086122 635927928 /nfs/dbraw/zinc/92/79/28/635927928.db2.gz IXSPNIYNLSBEJL-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000857086133 635928213 /nfs/dbraw/zinc/92/82/13/635928213.db2.gz JAXPKHDYYZKALI-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857857490 636036002 /nfs/dbraw/zinc/03/60/02/636036002.db2.gz VAQQIUUBFNHTJM-ZDUSSCGKSA-N 1 0 286.335 2.528 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000158656600 650233265 /nfs/dbraw/zinc/23/32/65/650233265.db2.gz NKNFZSHJZPEIHL-MRXNPFEDSA-N 1 0 290.363 2.654 20 5 CFBDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000858475047 636262304 /nfs/dbraw/zinc/26/23/04/636262304.db2.gz GJNSHUQHYGMCRH-GWCFXTLKSA-N 1 0 290.319 2.507 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858485366 636267528 /nfs/dbraw/zinc/26/75/28/636267528.db2.gz LUVHWMWCPXALIN-DGCLKSJQSA-N 1 0 295.383 2.625 20 5 CFBDRO CCC[C@H]([NH2+][C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000049084344 650288100 /nfs/dbraw/zinc/28/81/00/650288100.db2.gz JUPKFDQVNZEANA-HIFRSBDPSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000863654255 637726988 /nfs/dbraw/zinc/72/69/88/637726988.db2.gz VLLFWAJVYVXEFB-LLVKDONJSA-N 1 0 289.335 2.634 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000865787455 638573772 /nfs/dbraw/zinc/57/37/72/638573772.db2.gz NCQZAFRHQSVRNN-HOCLYGCPSA-N 1 0 290.363 2.747 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)C[C@H](C)O ZINC000865873241 638631779 /nfs/dbraw/zinc/63/17/79/638631779.db2.gz UMGJSSCOXWUJQJ-WCQYABFASA-N 1 0 296.367 2.633 20 5 CFBDRO COc1cc(N2CC[N@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000866112634 638743105 /nfs/dbraw/zinc/74/31/05/638743105.db2.gz GQKMCDFTUQLMIO-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1cnc(NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866148841 638758344 /nfs/dbraw/zinc/75/83/44/638758344.db2.gz XBHWKYGWTGJOHE-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000866208356 638770998 /nfs/dbraw/zinc/77/09/98/638770998.db2.gz TZCRAMHEZWJFIL-MFKMUULPSA-N 1 0 295.770 2.779 20 5 CFBDRO COCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866234299 638776052 /nfs/dbraw/zinc/77/60/52/638776052.db2.gz LMYVFNPPDJQITE-NSHDSACASA-N 1 0 284.331 2.681 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCO1 ZINC000866243355 638778391 /nfs/dbraw/zinc/77/83/91/638778391.db2.gz QMKFCDNKAIQTKY-BXUZGUMPSA-N 1 0 296.342 2.824 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242887 638778513 /nfs/dbraw/zinc/77/85/13/638778513.db2.gz UFXULQDIFIFFQM-QWRGUYRKSA-N 1 0 284.331 2.537 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265713 638784191 /nfs/dbraw/zinc/78/41/91/638784191.db2.gz QOGCBYWLOMXXTK-NHYWBVRUSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1cn[nH]c1 ZINC000866313302 638795598 /nfs/dbraw/zinc/79/55/98/638795598.db2.gz YWOJBPKBSHKSNE-NXEZZACHSA-N 1 0 292.314 2.739 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCCCO ZINC000866313798 638795749 /nfs/dbraw/zinc/79/57/49/638795749.db2.gz HTKUEXGDHCUWIY-GFCCVEGCSA-N 1 0 298.358 2.807 20 5 CFBDRO C/C=C/C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866398315 638814799 /nfs/dbraw/zinc/81/47/99/638814799.db2.gz MLCKNTCXZVFIGO-FSIBCCDJSA-N 1 0 252.289 2.831 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000866541326 638839178 /nfs/dbraw/zinc/83/91/78/638839178.db2.gz YKVGVZWEWSOCIA-ZDUSSCGKSA-N 1 0 286.335 2.794 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866581885 638848637 /nfs/dbraw/zinc/84/86/37/638848637.db2.gz BPQQEIZBJFHSMR-VNHYZAJKSA-N 1 0 289.379 2.682 20 5 CFBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000122115759 638937428 /nfs/dbraw/zinc/93/74/28/638937428.db2.gz VWSGCOOOTZREFW-LBPRGKRZSA-N 1 0 266.345 2.649 20 5 CFBDRO CC[C@H](C[NH+](C)C)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000870554073 639719458 /nfs/dbraw/zinc/71/94/58/639719458.db2.gz YMYKTCHRVKHNSP-SMDDNHRTSA-N 1 0 294.351 2.582 20 5 CFBDRO CC[C@H](C[NH+](C)C)OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000870554070 639719614 /nfs/dbraw/zinc/71/96/14/639719614.db2.gz YMYKTCHRVKHNSP-BXUZGUMPSA-N 1 0 294.351 2.582 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(c3ccccc3)C2)cc1 ZINC000871988196 641544153 /nfs/dbraw/zinc/54/41/53/641544153.db2.gz LVBHQPPSRPSOKN-QGZVFWFLSA-N 1 0 298.342 2.728 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017136 641548415 /nfs/dbraw/zinc/54/84/15/641548415.db2.gz USBQPIRSILMEBL-NSHDSACASA-N 1 0 283.347 2.726 20 5 CFBDRO C[C@H](NCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020422 641550720 /nfs/dbraw/zinc/55/07/20/641550720.db2.gz HOCAKEAGECXOLA-LBPRGKRZSA-N 1 0 295.358 2.870 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872028917 641558786 /nfs/dbraw/zinc/55/87/86/641558786.db2.gz NINDALIHJGVUNM-JTQLQIEISA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000872034516 641565832 /nfs/dbraw/zinc/56/58/32/641565832.db2.gz PJSWNVCXHKKSRP-MNOVXSKESA-N 1 0 295.358 2.867 20 5 CFBDRO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036322 641568758 /nfs/dbraw/zinc/56/87/58/641568758.db2.gz RKHBWRUDVJEPMF-NWDGAFQWSA-N 1 0 295.358 2.726 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037180 641569422 /nfs/dbraw/zinc/56/94/22/641569422.db2.gz BUNZXEAIMLNOON-DCAQKATOSA-N 1 0 284.331 2.792 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCO ZINC000872039593 641574731 /nfs/dbraw/zinc/57/47/31/641574731.db2.gz TZYFUCOQPALZEX-VHSXEESVSA-N 1 0 284.381 2.738 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049740 641583496 /nfs/dbraw/zinc/58/34/96/641583496.db2.gz UWLJABYURXKVRG-QWRGUYRKSA-N 1 0 284.331 2.936 20 5 CFBDRO CC(C)[N@H+](CCC1OCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000123922056 641584845 /nfs/dbraw/zinc/58/48/45/641584845.db2.gz ROKXJUUKOAPEDV-UHFFFAOYSA-N 1 0 294.351 2.568 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C[NH+](C)C ZINC000872071326 641602398 /nfs/dbraw/zinc/60/23/98/641602398.db2.gz NOLFYXQCIIUILQ-WDEREUQCSA-N 1 0 297.424 2.917 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)O ZINC000872074682 641605848 /nfs/dbraw/zinc/60/58/48/641605848.db2.gz ZULLBPKYVVDJTP-CABZTGNLSA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872074890 641607100 /nfs/dbraw/zinc/60/71/00/641607100.db2.gz JXIFONSJMWJXSZ-VHSXEESVSA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082233 641615449 /nfs/dbraw/zinc/61/54/49/641615449.db2.gz SMTVGPRNZINYKW-BBBLOLIVSA-N 1 0 268.288 2.562 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872082027 641615573 /nfs/dbraw/zinc/61/55/73/641615573.db2.gz NRMIWGLJMDKTNG-GZMMTYOYSA-N 1 0 250.273 2.937 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086809 641620185 /nfs/dbraw/zinc/62/01/85/641620185.db2.gz ZRKLIINZDFEZFQ-NXEZZACHSA-N 1 0 282.315 2.546 20 5 CFBDRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872104396 641634483 /nfs/dbraw/zinc/63/44/83/641634483.db2.gz CREPKMQCGPVBCG-NSHDSACASA-N 1 0 295.383 2.890 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872105415 641636327 /nfs/dbraw/zinc/63/63/27/641636327.db2.gz IURXPZYRJBSLLZ-CMPLNLGQSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129798 641657671 /nfs/dbraw/zinc/65/76/71/641657671.db2.gz UTQIKHKGJSFSQL-JHJVBQTASA-N 1 0 289.379 2.871 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780128 641934588 /nfs/dbraw/zinc/93/45/88/641934588.db2.gz JUJYXYSUQBJPKQ-CHWSQXEVSA-N 1 0 297.305 2.546 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNCc1cccc([N+](=O)[O-])c1C ZINC000873011423 641984438 /nfs/dbraw/zinc/98/44/38/641984438.db2.gz XBZPXUWDRPHLPQ-GFCCVEGCSA-N 1 0 279.384 2.723 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](C)Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000873026569 641988207 /nfs/dbraw/zinc/98/82/07/641988207.db2.gz POJZHOWYOQFYHP-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO CC[N@H+](CCNCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000873036121 641990824 /nfs/dbraw/zinc/99/08/24/641990824.db2.gz SXXHUMDDZWSUPV-UHFFFAOYSA-N 1 0 279.384 2.723 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873052361 641996887 /nfs/dbraw/zinc/99/68/87/641996887.db2.gz WHIPBFUQRKAUEX-XHDPSFHLSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@H](COC)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873057181 641997815 /nfs/dbraw/zinc/99/78/15/641997815.db2.gz PBUJOYKUCVVJBV-GFCCVEGCSA-N 1 0 266.341 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000873098265 642012679 /nfs/dbraw/zinc/01/26/79/642012679.db2.gz FGJAHECRFALTRH-AAEUAGOBSA-N 1 0 278.352 2.869 20 5 CFBDRO CCC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)COC1 ZINC000873130101 642022538 /nfs/dbraw/zinc/02/25/38/642022538.db2.gz YMOCDMJJUUQSEA-UHFFFAOYSA-N 1 0 278.352 2.728 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](O)C(C)C ZINC000873132086 642023724 /nfs/dbraw/zinc/02/37/24/642023724.db2.gz GOBUQTWAANSVOQ-HIFRSBDPSA-N 1 0 280.368 2.788 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873143970 642029705 /nfs/dbraw/zinc/02/97/05/642029705.db2.gz APWLZBPAXOTPQJ-BETUJISGSA-N 1 0 278.352 2.726 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873152400 642033902 /nfs/dbraw/zinc/03/39/02/642033902.db2.gz OILHJVNRGVPZTO-WCQYABFASA-N 1 0 280.368 2.851 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000873230418 642082301 /nfs/dbraw/zinc/08/23/01/642082301.db2.gz RCMUPIYTQYQHEK-KGLIPLIRSA-N 1 0 295.770 2.622 20 5 CFBDRO Cc1ccc(CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873252000 642097897 /nfs/dbraw/zinc/09/78/97/642097897.db2.gz MYMNZABEUBPMLZ-TZMCWYRMSA-N 1 0 277.368 2.523 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000876684026 642972062 /nfs/dbraw/zinc/97/20/62/642972062.db2.gz GWZSUASWTDOMHV-LBPRGKRZSA-N 1 0 278.352 2.822 20 5 CFBDRO CCC[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876739079 642987714 /nfs/dbraw/zinc/98/77/14/642987714.db2.gz DOIDKDXZPNIGKY-ZDUSSCGKSA-N 1 0 278.352 2.768 20 5 CFBDRO C[C@H]1CC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H](C)C1 ZINC000877049777 643120359 /nfs/dbraw/zinc/12/03/59/643120359.db2.gz WWRDRFDZPJMOFB-IENTYSSBSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccsc1 ZINC000877502879 643313963 /nfs/dbraw/zinc/31/39/63/643313963.db2.gz VAXKBQDUJHLBIA-OIKLOGQESA-N 1 0 292.364 2.907 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000877621309 643407639 /nfs/dbraw/zinc/40/76/39/643407639.db2.gz QJGBQUJKGSCUGM-NSHDSACASA-N 1 0 278.352 2.557 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000877630990 643414743 /nfs/dbraw/zinc/41/47/43/643414743.db2.gz MBULPJOUPBJDON-CJNGLKHVSA-N 1 0 290.363 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000877630992 643415487 /nfs/dbraw/zinc/41/54/87/643415487.db2.gz MBULPJOUPBJDON-XJKSGUPXSA-N 1 0 290.363 2.680 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CCC1(C)C ZINC000877701699 643465578 /nfs/dbraw/zinc/46/55/78/643465578.db2.gz VBNJNFNOLZOCGD-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877795388 643561348 /nfs/dbraw/zinc/56/13/48/643561348.db2.gz JGBAJUZDGINPKZ-CQSZACIVSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 ZINC000877805510 643567294 /nfs/dbraw/zinc/56/72/94/643567294.db2.gz KDOVCYGXUZBUQV-VNQPRFMTSA-N 1 0 290.363 2.685 20 5 CFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126729338 643590902 /nfs/dbraw/zinc/59/09/02/643590902.db2.gz HWBSHQHRXQSOCP-UONOGXRCSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000878916475 644073322 /nfs/dbraw/zinc/07/33/22/644073322.db2.gz MASFTXXLWUADII-HIFRSBDPSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563539 644322182 /nfs/dbraw/zinc/32/21/82/644322182.db2.gz CIQNNRBYRSOIBZ-NWDGAFQWSA-N 1 0 296.367 2.919 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000880184636 644567866 /nfs/dbraw/zinc/56/78/66/644567866.db2.gz MTAMBIBJUGGBCY-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO COCC1([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000880186578 644568945 /nfs/dbraw/zinc/56/89/45/644568945.db2.gz GZOKHASFYXVVSG-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO COCC1([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000880186720 644569057 /nfs/dbraw/zinc/56/90/57/644569057.db2.gz MYJCJTAQIUJLSG-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1nccn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097685 650932279 /nfs/dbraw/zinc/93/22/79/650932279.db2.gz VTQPQFIATHXQCM-UHFFFAOYSA-N 1 0 251.673 2.801 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000880233706 644594752 /nfs/dbraw/zinc/59/47/52/644594752.db2.gz DSRBYOXEFDWHJK-GFCCVEGCSA-N 1 0 252.289 2.776 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000880235022 644596976 /nfs/dbraw/zinc/59/69/76/644596976.db2.gz MXZUSJLAFOPCEW-GFCCVEGCSA-N 1 0 282.315 2.655 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000094801405 650963944 /nfs/dbraw/zinc/96/39/44/650963944.db2.gz FWIXUGYZTOMGRE-ZDUSSCGKSA-N 1 0 284.743 2.907 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129044019 645003317 /nfs/dbraw/zinc/00/33/17/645003317.db2.gz OYFJOEREMURFAU-JTQLQIEISA-N 1 0 297.330 2.793 20 5 CFBDRO C[N@H+](CCNc1ccnc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000881850447 645141227 /nfs/dbraw/zinc/14/12/27/645141227.db2.gz VGEFJQBOPAPIDO-UHFFFAOYSA-N 1 0 296.346 2.805 20 5 CFBDRO CC(=O)c1c(NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000881903634 645150953 /nfs/dbraw/zinc/15/09/53/645150953.db2.gz HXLLMQHEGJNTKV-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[NH+](C)CC1(CNc2ccnc(F)c2[N+](=O)[O-])CCCC1 ZINC000882186560 645238037 /nfs/dbraw/zinc/23/80/37/645238037.db2.gz FLQUQKPKSXKGPP-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CC[N@@H+]1CC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000882959328 645530598 /nfs/dbraw/zinc/53/05/98/645530598.db2.gz COERUVGGRLEFJT-CYBMUJFWSA-N 1 0 286.335 2.649 20 5 CFBDRO CC[N@@H+]1CC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000882961053 645532001 /nfs/dbraw/zinc/53/20/01/645532001.db2.gz DAFXTYWFDWNGHP-JTQLQIEISA-N 1 0 292.364 2.711 20 5 CFBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000130698261 645554343 /nfs/dbraw/zinc/55/43/43/645554343.db2.gz PWPWNCNZSJEWRW-GFCCVEGCSA-N 1 0 266.345 2.649 20 5 CFBDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883268409 645710838 /nfs/dbraw/zinc/71/08/38/645710838.db2.gz KHENETDTASBIRM-WYGGZMRJSA-N 1 0 261.325 2.960 20 5 CFBDRO C=C/C=C\CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000883268860 645711233 /nfs/dbraw/zinc/71/12/33/645711233.db2.gz UVRAGQXSHDDYCC-JHZNUDOXSA-N 1 0 290.367 2.997 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000883273500 645715348 /nfs/dbraw/zinc/71/53/48/645715348.db2.gz MHAIOSAITHKKSH-MJVIPROJSA-N 1 0 296.342 2.680 20 5 CFBDRO CC[C@H](c1ccncc1)N(CC)Cn1cc([N+](=O)[O-])cn1 ZINC000131440390 645724614 /nfs/dbraw/zinc/72/46/14/645724614.db2.gz ZQMBLIOAFPHCDB-CQSZACIVSA-N 1 0 289.339 2.617 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000883318765 645737069 /nfs/dbraw/zinc/73/70/69/645737069.db2.gz BHPLWMKBXONIDW-UTUOFQBUSA-N 1 0 294.351 2.679 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000883355709 645761360 /nfs/dbraw/zinc/76/13/60/645761360.db2.gz WPDFZYGOUYFAJD-UKRRQHHQSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000883446953 645836322 /nfs/dbraw/zinc/83/63/22/645836322.db2.gz PJEVDODSWZMZNV-JTNHKYCSSA-N 1 0 295.358 2.682 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCC[NH+]1CCCC1 ZINC000800156764 646160469 /nfs/dbraw/zinc/16/04/69/646160469.db2.gz JGZHCMOCWFLUCL-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757334 646383585 /nfs/dbraw/zinc/38/35/85/646383585.db2.gz YVKSTJQTTUCINE-SMDDNHRTSA-N 1 0 266.341 2.510 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[NH+](C)C ZINC000884522423 646418939 /nfs/dbraw/zinc/41/89/39/646418939.db2.gz XUWDXKNMZLQONU-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000135282798 646507145 /nfs/dbraw/zinc/50/71/45/646507145.db2.gz BORMVMGMEXSSMR-IJLUTSLNSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H](C1CC1)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956594 646783371 /nfs/dbraw/zinc/78/33/71/646783371.db2.gz SWAGWZDXWFEBNJ-SNVBAGLBSA-N 1 0 261.325 2.753 20 5 CFBDRO C[N@H+](CCc1ccc(F)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885964524 646787300 /nfs/dbraw/zinc/78/73/00/646787300.db2.gz CCQJDJVSTSLDEU-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000885972654 646790050 /nfs/dbraw/zinc/79/00/50/646790050.db2.gz HPBAHWVKIWJOCX-CQSZACIVSA-N 1 0 283.331 2.979 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000886021481 646824306 /nfs/dbraw/zinc/82/43/06/646824306.db2.gz XHWIYVDRCNDXQC-WCQYABFASA-N 1 0 261.325 2.754 20 5 CFBDRO CS[C@@H]1CCCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886080176 646857533 /nfs/dbraw/zinc/85/75/33/646857533.db2.gz AYCUAYIJTMIGRM-GFCCVEGCSA-N 1 0 281.381 2.707 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140890 646891857 /nfs/dbraw/zinc/89/18/57/646891857.db2.gz RYZJPGNBVWWZLA-MDZLAQPJSA-N 1 0 263.341 2.904 20 5 CFBDRO Cc1noc(C)c1C(C)(C)NCc1cccnc1[N+](=O)[O-] ZINC000886205064 646920375 /nfs/dbraw/zinc/92/03/75/646920375.db2.gz YVOSZDQTTONWKX-UHFFFAOYSA-N 1 0 290.323 2.620 20 5 CFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886285746 646953003 /nfs/dbraw/zinc/95/30/03/646953003.db2.gz QZUJZIOFUXFSQD-VGPLMAKISA-N 1 0 261.325 2.753 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886832284 647155753 /nfs/dbraw/zinc/15/57/53/647155753.db2.gz FOMZYJUCOQBLIP-ABAIWWIYSA-N 1 0 294.326 2.735 20 5 CFBDRO C[N@H+](CCCF)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000887139097 647227590 /nfs/dbraw/zinc/22/75/90/647227590.db2.gz ZQHKXZQWXUNRLE-UHFFFAOYSA-N 1 0 267.260 2.527 20 5 CFBDRO C[C@H](N)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496674 647883705 /nfs/dbraw/zinc/88/37/05/647883705.db2.gz RZQBOLATNSNDEL-GUYCJALGSA-N 1 0 299.374 2.815 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000924954708 648078759 /nfs/dbraw/zinc/07/87/59/648078759.db2.gz IHKGUMAOIHUCBW-XEBKBJJBSA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CO1 ZINC000925312236 648154677 /nfs/dbraw/zinc/15/46/77/648154677.db2.gz ZJDBKMHUAKBKFA-NUYPLMSZSA-N 1 0 276.336 2.642 20 5 CFBDRO CC[C@H]1COC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113403 648407352 /nfs/dbraw/zinc/40/73/52/648407352.db2.gz POHORIIHUWUNTH-GWCFXTLKSA-N 1 0 298.770 2.805 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927020157 648686336 /nfs/dbraw/zinc/68/63/36/648686336.db2.gz HYLKOQTVZKCFJU-SMDDNHRTSA-N 1 0 278.352 2.723 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC000927144582 648727741 /nfs/dbraw/zinc/72/77/41/648727741.db2.gz LFEWBTYSVKFFAZ-GMTAPVOTSA-N 1 0 296.392 2.738 20 5 CFBDRO Cc1c(NC(=O)[C@H]2CCC[N@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000929228513 649008420 /nfs/dbraw/zinc/00/84/20/649008420.db2.gz RSOKCKLNKVAFBJ-CQSZACIVSA-N 1 0 291.351 2.715 20 5 CFBDRO C[C@H](c1cccc(C(F)(F)F)c1)N(C)CC[N+](=O)[O-] ZINC000929370550 649040482 /nfs/dbraw/zinc/04/04/82/649040482.db2.gz ROQFDYQVNVKECF-SECBINFHSA-N 1 0 276.258 2.975 20 5 CFBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000929501582 649062397 /nfs/dbraw/zinc/06/23/97/649062397.db2.gz UPEUTRREOXNPTI-UHFFFAOYSA-N 1 0 276.258 2.807 20 5 CFBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC[N+](=O)[O-] ZINC000930482251 649257439 /nfs/dbraw/zinc/25/74/39/649257439.db2.gz ZDIQTBCGNZAQTK-JTQLQIEISA-N 1 0 290.285 2.845 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931046962 649370723 /nfs/dbraw/zinc/37/07/23/649370723.db2.gz CSPRXAPCQOBMCN-XUJVJEKNSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932178275 649559597 /nfs/dbraw/zinc/55/95/97/649559597.db2.gz KYADKIGIBVADDT-BXUZGUMPSA-N 1 0 294.351 2.787 20 5 CFBDRO CCCCNC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180784 649560420 /nfs/dbraw/zinc/56/04/20/649560420.db2.gz WOWCZVWKNXMQOU-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO CCCCCNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932184105 649560529 /nfs/dbraw/zinc/56/05/29/649560529.db2.gz YZBANSJELQPVEW-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933745061 649719141 /nfs/dbraw/zinc/71/91/41/649719141.db2.gz KRQDIHXKVXJSNO-IVMMDQJWSA-N 1 0 289.379 2.539 20 5 CFBDRO CCCCC1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000934205290 649760831 /nfs/dbraw/zinc/76/08/31/649760831.db2.gz FYIZJNSEDFRVET-AWEZNQCLSA-N 1 0 278.352 2.941 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000934336824 649776283 /nfs/dbraw/zinc/77/62/83/649776283.db2.gz GYXNDCAAPNFJKD-TUKIKUTGSA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934621641 649805946 /nfs/dbraw/zinc/80/59/46/649805946.db2.gz FIWKOHKKMKVHBJ-DFBGVHRSSA-N 1 0 276.336 2.573 20 5 CFBDRO COc1ccc(C[NH2+]C(C)(C)CSC)cc1[N+](=O)[O-] ZINC000934678750 649814959 /nfs/dbraw/zinc/81/49/59/649814959.db2.gz WDSKPCGSMVZCPM-UHFFFAOYSA-N 1 0 284.381 2.835 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000934766046 649825712 /nfs/dbraw/zinc/82/57/12/649825712.db2.gz AURYMRIJTOAEME-OCCSQVGLSA-N 1 0 278.377 2.780 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000689768654 770483891 /nfs/dbraw/zinc/48/38/91/770483891.db2.gz TUIFEZHFFXUVNW-DGCLKSJQSA-N 1 0 278.352 2.808 20 5 CFBDRO [NH3+]Cc1cccn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001167592666 770951719 /nfs/dbraw/zinc/95/17/19/770951719.db2.gz AIHYDVXRJIIQEX-FNORWQNLSA-N 1 0 277.711 2.837 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCc1ccc([N+](=O)[O-])cc1)C2 ZINC001224331829 775159559 /nfs/dbraw/zinc/15/95/59/775159559.db2.gz SPKFCPMDWFQRCJ-ZSHCYNCHSA-N 1 0 290.363 2.779 20 5 CFBDRO CC[N@@H+]1CCC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333904 775161178 /nfs/dbraw/zinc/16/11/78/775161178.db2.gz NZAKKHXZZWPHNS-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO COc1ccc([C@@H](C)OCCC[N+](C)(C)C)cc1OC ZINC001224623031 775229185 /nfs/dbraw/zinc/22/91/85/775229185.db2.gz KHCUOMOPUKTVKN-CYBMUJFWSA-N 1 0 282.404 2.878 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1Cc2ccc(Br)cc2C1 ZINC001224771742 775270055 /nfs/dbraw/zinc/27/00/55/775270055.db2.gz RLSMOSUASCVOBW-AWEZNQCLSA-N 1 0 299.232 2.639 20 5 CFBDRO CC(C)Oc1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001225211766 775368187 /nfs/dbraw/zinc/36/81/87/775368187.db2.gz FGNZGLSXUGWYCH-ZDUSSCGKSA-N 1 0 252.378 2.947 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217971467 775409162 /nfs/dbraw/zinc/40/91/62/775409162.db2.gz IHVHHUMQDLZZNF-CABZTGNLSA-N 1 0 288.706 2.717 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-n2cccc2)cc1 ZINC001225355372 775425247 /nfs/dbraw/zinc/42/52/47/775425247.db2.gz BKLFVBIIAJHBKL-CQSZACIVSA-N 1 0 259.373 2.951 20 5 CFBDRO Cc1c(O[C@H]2CC[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001218028163 775453541 /nfs/dbraw/zinc/45/35/41/775453541.db2.gz SUKOEFCPUFAWJI-MFKMUULPSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225430449 775453976 /nfs/dbraw/zinc/45/39/76/775453976.db2.gz BUNBYJRIZYAYHS-SECBINFHSA-N 1 0 285.731 2.505 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[NH2+][C@@H](C)C1 ZINC001218060089 775464577 /nfs/dbraw/zinc/46/45/77/775464577.db2.gz LLRBJPMSSLKTDW-RYUDHWBXSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(F)ccc1[N+](=O)[O-] ZINC001225579837 775509861 /nfs/dbraw/zinc/50/98/61/775509861.db2.gz VMEUAEVOEQLATQ-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001225616690 775524657 /nfs/dbraw/zinc/52/46/57/775524657.db2.gz WEHXQUOOVGUJBP-ZDUSSCGKSA-N 1 0 294.351 2.855 20 5 CFBDRO O=[N+]([O-])c1ncccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225628451 775532374 /nfs/dbraw/zinc/53/23/74/775532374.db2.gz NCCNWQNNRBOBIO-AWEZNQCLSA-N 1 0 299.330 2.643 20 5 CFBDRO CC[NH+]1CCC(Oc2cccc(C)c2[N+](=O)[O-])CC1 ZINC001225633898 775533716 /nfs/dbraw/zinc/53/37/16/775533716.db2.gz VUAGLOGPZXMRIQ-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001225678785 775553476 /nfs/dbraw/zinc/55/34/76/775553476.db2.gz JNMPOGJTNZGDHD-ITGUQSILSA-N 1 0 276.336 2.907 20 5 CFBDRO Cc1c(OC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC001225690457 775559835 /nfs/dbraw/zinc/55/98/35/775559835.db2.gz YANQWTAVOKZUIM-UHFFFAOYSA-N 1 0 276.336 2.909 20 5 CFBDRO Cc1c(O[C@H]2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001225689882 775560333 /nfs/dbraw/zinc/56/03/33/775560333.db2.gz QIGUSYDCVWZLFO-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(C(F)(F)F)n1 ZINC001225706105 775567285 /nfs/dbraw/zinc/56/72/85/775567285.db2.gz UEIDNMZNJRVVJM-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO C[C@H]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C[NH2+]1 ZINC001218392391 775624339 /nfs/dbraw/zinc/62/43/39/775624339.db2.gz JHUWCSZWEIOMHS-IUCAKERBSA-N 1 0 270.716 2.768 20 5 CFBDRO C[C@H]1CC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC001218396530 775626481 /nfs/dbraw/zinc/62/64/81/775626481.db2.gz CSGXOJZSGIAGIM-KWQFWETISA-N 1 0 270.716 2.768 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904486 775629448 /nfs/dbraw/zinc/62/94/48/775629448.db2.gz DXMJLCBZEROJOV-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC001218412466 775644839 /nfs/dbraw/zinc/64/48/39/775644839.db2.gz FRZCYKRLWSBZNA-CABZTGNLSA-N 1 0 284.743 2.933 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CC[NH2+]C[C@H]1C ZINC001218418486 775651211 /nfs/dbraw/zinc/65/12/11/775651211.db2.gz ZXAKCQAVHAPIDL-NOZJJQNGSA-N 1 0 264.325 2.588 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226006992 775664236 /nfs/dbraw/zinc/66/42/36/775664236.db2.gz IIUXBYBMUCBTFV-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218456144 775675008 /nfs/dbraw/zinc/67/50/08/775675008.db2.gz ZVXHZYPZBAYOBF-JTQLQIEISA-N 1 0 292.669 2.624 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226191851 775733031 /nfs/dbraw/zinc/73/30/31/775733031.db2.gz SUBBLTWMCNTZBK-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])ccc1F)C2 ZINC001226265247 775761941 /nfs/dbraw/zinc/76/19/41/775761941.db2.gz HHDUVTDBJLSTAR-IAZYJMLFSA-N 1 0 280.299 2.738 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001226764329 775953911 /nfs/dbraw/zinc/95/39/11/775953911.db2.gz HUVWGMQTWURNOO-ZDUSSCGKSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001226765756 775954326 /nfs/dbraw/zinc/95/43/26/775954326.db2.gz VZLCGAAXCANSID-AULYBMBSSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001226764327 775954620 /nfs/dbraw/zinc/95/46/20/775954620.db2.gz HUVWGMQTWURNOO-CYBMUJFWSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001226842570 775987092 /nfs/dbraw/zinc/98/70/92/775987092.db2.gz VZNPJSYJYZOQFY-CYBMUJFWSA-N 1 0 264.325 2.765 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001226844483 775989147 /nfs/dbraw/zinc/98/91/47/775989147.db2.gz XUTYNUHFSXIDEI-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cnc1Br ZINC001226999251 776055710 /nfs/dbraw/zinc/05/57/10/776055710.db2.gz KUTVJIHYACMDAY-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1OC(C)(C)C2 ZINC001227254314 776158853 /nfs/dbraw/zinc/15/88/53/776158853.db2.gz PBHDESJIRKWLHC-GFCCVEGCSA-N 1 0 264.389 2.874 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227744239 776277623 /nfs/dbraw/zinc/27/76/23/776277623.db2.gz FQVTVCJBHOGHOM-JTQLQIEISA-N 1 0 292.339 2.580 20 5 CFBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001227936456 776333415 /nfs/dbraw/zinc/33/34/15/776333415.db2.gz IZSHETTVIGDCAT-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])cc(F)c1F ZINC001228015260 776364222 /nfs/dbraw/zinc/36/42/22/776364222.db2.gz BJNUSIWVVANVJF-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015681 776365102 /nfs/dbraw/zinc/36/51/02/776365102.db2.gz HKRZVOXEKQZRIH-SNVBAGLBSA-N 1 0 286.278 2.735 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])cc(F)c1F)C2 ZINC001228026100 776367569 /nfs/dbraw/zinc/36/75/69/776367569.db2.gz YAJNRZIPMJGLEG-JZYVYDRUSA-N 1 0 298.289 2.877 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000722319648 776448696 /nfs/dbraw/zinc/44/86/96/776448696.db2.gz JRDRKIGVJVJYIC-RYUDHWBXSA-N 1 0 282.365 2.704 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2SCCS2)cs1 ZINC000692871600 776467435 /nfs/dbraw/zinc/46/74/35/776467435.db2.gz IHUDKWHAMXBKGU-UHFFFAOYSA-N 1 0 276.408 2.552 20 5 CFBDRO CC(=O)c1cc(C)c(C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001228434040 776490223 /nfs/dbraw/zinc/49/02/23/776490223.db2.gz LZCGNCHWVFNYMQ-ZDUSSCGKSA-N 1 0 264.389 2.980 20 5 CFBDRO Cc1nc(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001228706750 776579058 /nfs/dbraw/zinc/57/90/58/776579058.db2.gz KFZCYHJGBOJGEV-VIFPVBQESA-N 1 0 288.209 2.626 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)CCC2 ZINC001228841391 776630426 /nfs/dbraw/zinc/63/04/26/776630426.db2.gz AGRVGUYQUBLBMA-GFCCVEGCSA-N 1 0 262.373 2.679 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2cc[nH]c2cc1F ZINC001228889794 776646764 /nfs/dbraw/zinc/64/67/64/776646764.db2.gz YOVNSVAIZZANNX-JTQLQIEISA-N 1 0 251.325 2.781 20 5 CFBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001228970873 776672502 /nfs/dbraw/zinc/67/25/02/776672502.db2.gz LZUSDNRVXCOMGD-GFCCVEGCSA-N 1 0 292.335 2.659 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229007816 776687243 /nfs/dbraw/zinc/68/72/43/776687243.db2.gz JYPBUKBBZUFJPM-NSHDSACASA-N 1 0 290.343 2.617 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229120244 776726067 /nfs/dbraw/zinc/72/60/67/776726067.db2.gz WGSAYEZZLPCJKH-KPKJPENVSA-N 1 0 276.336 2.797 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000402051686 776784212 /nfs/dbraw/zinc/78/42/12/776784212.db2.gz PRIUDSGPBAJDQO-KWQFWETISA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1csc2[nH]c(=S)nc(O[C@H](C)C[N+](C)(C)C)c12 ZINC001229352198 776787607 /nfs/dbraw/zinc/78/76/07/776787607.db2.gz GWXRHMWLYDSSFD-SECBINFHSA-O 1 0 298.457 2.762 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229378543 776795739 /nfs/dbraw/zinc/79/57/39/776795739.db2.gz YAKLSWOJHPMDNO-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO CC(=O)Nc1cc(Cl)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229416462 776804555 /nfs/dbraw/zinc/80/45/55/776804555.db2.gz USBOJXBYHFGDCM-JTQLQIEISA-O 1 0 285.795 2.772 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000402069326 776828837 /nfs/dbraw/zinc/82/88/37/776828837.db2.gz YKQZPMZOJPNVAL-GZMMTYOYSA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CC[NH+](C)CC1 ZINC001229883255 776909688 /nfs/dbraw/zinc/90/96/88/776909688.db2.gz UQNKSYDVZQZEKD-UHFFFAOYSA-N 1 0 264.325 2.685 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229965153 776926157 /nfs/dbraw/zinc/92/61/57/776926157.db2.gz YZDSQNISNDCZDY-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc([N+](=O)[O-])c1C ZINC001230476595 776995939 /nfs/dbraw/zinc/99/59/39/776995939.db2.gz BDCCRCSURHICEG-NSHDSACASA-N 1 0 267.349 2.685 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230872029 777078245 /nfs/dbraw/zinc/07/82/45/777078245.db2.gz IXNKDNGAHHWSRH-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ncc[nH]2)cc1 ZINC001231081853 777135667 /nfs/dbraw/zinc/13/56/67/777135667.db2.gz ONOXIEOFSPEGEM-LBPRGKRZSA-N 1 0 260.361 2.550 20 5 CFBDRO Cc1cc(C(F)(F)F)cc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001226187147 777473326 /nfs/dbraw/zinc/47/33/26/777473326.db2.gz RLKBBOHDCTYQQB-JTQLQIEISA-N 1 0 277.310 2.882 20 5 CFBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000721804637 777586278 /nfs/dbraw/zinc/58/62/78/777586278.db2.gz PODRNYNCYBFQEP-NSHDSACASA-N 1 0 298.770 2.841 20 5 CFBDRO CC(=O)c1cc(O[C@@H]2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC001233495612 777969375 /nfs/dbraw/zinc/96/93/75/777969375.db2.gz ILCFYRDMSQSURQ-GFCCVEGCSA-N 1 0 292.335 2.661 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)c([N+](=O)[O-])cc1F)C2 ZINC001233597395 778004327 /nfs/dbraw/zinc/00/43/27/778004327.db2.gz LKWXODFBPFFMQJ-ILWJIGKKSA-N 1 0 298.289 2.877 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)cc(C)cc2[N+](=O)[O-])C1 ZINC001228230897 778026801 /nfs/dbraw/zinc/02/68/01/778026801.db2.gz WXKJILLMWJQZFS-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO Cc1ccc(OC[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000697089200 778049188 /nfs/dbraw/zinc/04/91/88/778049188.db2.gz VLDLQVHEUJQIQR-LBPRGKRZSA-N 1 0 264.325 2.672 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233716682 778051762 /nfs/dbraw/zinc/05/17/62/778051762.db2.gz PLRCOQFWIUNWSY-SNVBAGLBSA-N 1 0 285.731 2.505 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233717480 778051795 /nfs/dbraw/zinc/05/17/95/778051795.db2.gz WVDDIUMYXILILI-SNVBAGLBSA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2c(F)cccc21 ZINC001233720349 778052912 /nfs/dbraw/zinc/05/29/12/778052912.db2.gz MTORLOMBESAODZ-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cc1-c1ccno1 ZINC001233814707 778087756 /nfs/dbraw/zinc/08/77/56/778087756.db2.gz PFLQBXGQUJBJAV-NSHDSACASA-N 1 0 279.335 2.954 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1OC(F)F ZINC001234019525 778143382 /nfs/dbraw/zinc/14/33/82/778143382.db2.gz OKTIRHJLRYPGSZ-SNVBAGLBSA-N 1 0 260.304 2.762 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1Cl ZINC001228546845 778150995 /nfs/dbraw/zinc/15/09/95/778150995.db2.gz CLVYGDRXLMUZPF-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO Cc1cc(F)c(O[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001234061673 778156462 /nfs/dbraw/zinc/15/64/62/778156462.db2.gz WVYHLQYPWHPLIE-AWEZNQCLSA-N 1 0 280.299 2.515 20 5 CFBDRO CCOc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234196849 778184190 /nfs/dbraw/zinc/18/41/90/778184190.db2.gz FDDCEZHNGXHFSE-NSHDSACASA-N 1 0 256.341 2.698 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cnc1OC(C)C ZINC001234278112 778199936 /nfs/dbraw/zinc/19/99/36/778199936.db2.gz QUSJQWZOHTYDFM-ZDUSSCGKSA-N 1 0 267.393 2.651 20 5 CFBDRO CCOc1noc2cc(O[C@@H](C)C[N+](C)(C)C)ccc21 ZINC001234906482 778326371 /nfs/dbraw/zinc/32/63/71/778326371.db2.gz BNALGNPWSMWQPR-NSHDSACASA-N 1 0 279.360 2.700 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc2cnccc2c1 ZINC001223930572 778369741 /nfs/dbraw/zinc/36/97/41/778369741.db2.gz XBCNQTQHTLMFSI-ZDUSSCGKSA-N 1 0 259.373 2.846 20 5 CFBDRO CC[NH+]1CCC(OCc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001223943034 778372531 /nfs/dbraw/zinc/37/25/31/778372531.db2.gz HSRJMVAMAIRFTO-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1C[C@@](C)(O)C1 ZINC001168344595 778443342 /nfs/dbraw/zinc/44/33/42/778443342.db2.gz TYNKXRDMPFCQMS-KDYLLFBJSA-N 1 0 277.432 2.856 20 5 CFBDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000160148619 778595147 /nfs/dbraw/zinc/59/51/47/778595147.db2.gz QEYIUROCBZNQNC-SMDDNHRTSA-N 1 0 298.408 2.750 20 5 CFBDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000160148300 778595306 /nfs/dbraw/zinc/59/53/06/778595306.db2.gz QEYIUROCBZNQNC-RISCZKNCSA-N 1 0 298.408 2.750 20 5 CFBDRO CC(C)COCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000129828664 778847145 /nfs/dbraw/zinc/84/71/45/778847145.db2.gz RRXQMHKYSHZHLQ-GFCCVEGCSA-N 1 0 266.341 2.918 20 5 CFBDRO C[N@H+](CCOC(C)(C)C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000689903473 779006345 /nfs/dbraw/zinc/00/63/45/779006345.db2.gz LGGVGBAXELVNQE-UHFFFAOYSA-N 1 0 284.331 2.981 20 5 CFBDRO COC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000721916139 779958907 /nfs/dbraw/zinc/95/89/07/779958907.db2.gz TXAQZQCUNBBWKZ-CQSZACIVSA-N 1 0 280.368 2.911 20 5 CFBDRO CCC1(Nc2c(C)cc(C)c([N+](=O)[O-])c2C)C[NH2+]C1 ZINC001168582916 780003333 /nfs/dbraw/zinc/00/33/33/780003333.db2.gz CXVMSIQRESRXQN-UHFFFAOYSA-N 1 0 263.341 2.684 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453119676 780415141 /nfs/dbraw/zinc/41/51/41/780415141.db2.gz MKCPSNCWWNFJRG-CABCVRRESA-N 1 0 290.363 2.685 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1O ZINC001229751545 780464728 /nfs/dbraw/zinc/46/47/28/780464728.db2.gz VSWGIFRLZZVWAH-NSHDSACASA-N 1 0 282.340 2.718 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000701095109 780757523 /nfs/dbraw/zinc/75/75/23/780757523.db2.gz UQDOJZRRRIFKIB-JSGCOSHPSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000701095107 780758653 /nfs/dbraw/zinc/75/86/53/780758653.db2.gz UQDOJZRRRIFKIB-GXTWGEPZSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2(F)CCC2)cc1 ZINC000702508516 780926982 /nfs/dbraw/zinc/92/69/82/780926982.db2.gz NLSNDDGCBNJJKJ-ZDUSSCGKSA-N 1 0 282.315 2.500 20 5 CFBDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000702968838 780972551 /nfs/dbraw/zinc/97/25/51/780972551.db2.gz WBDPESABGGXLBB-ZOODHJKOSA-N 1 0 278.352 2.939 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2SCCS2)cc1 ZINC000703327793 781006939 /nfs/dbraw/zinc/00/69/39/781006939.db2.gz KCEFHYJEBRSAOM-UHFFFAOYSA-N 1 0 298.433 2.923 20 5 CFBDRO CSC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000706877335 781207228 /nfs/dbraw/zinc/20/72/28/781207228.db2.gz KMJFMXIOWJPRIV-UHFFFAOYSA-N 1 0 252.339 2.578 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000707137199 781226763 /nfs/dbraw/zinc/22/67/63/781226763.db2.gz FPWBVEPQKKQTPB-CYBMUJFWSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)CC[C@H]2C[NH3+])n1 ZINC001164067196 781659879 /nfs/dbraw/zinc/65/98/79/781659879.db2.gz CCZALNGTPIMSAI-SCZZXKLOSA-N 1 0 298.774 2.515 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C)c(C)c([N+](=O)[O-])c2)C1 ZINC001230471513 781858216 /nfs/dbraw/zinc/85/82/16/781858216.db2.gz JGFRWGMLPDQBNK-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594510469 349435921 /nfs/dbraw/zinc/43/59/21/349435921.db2.gz MBQKAYDSOSFIPA-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000594590758 349453907 /nfs/dbraw/zinc/45/39/07/349453907.db2.gz AERLOIZJKIVCJJ-DTORHVGOSA-N 1 0 285.294 2.625 20 5 CFBDRO Cc1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594599255 349457219 /nfs/dbraw/zinc/45/72/19/349457219.db2.gz INKCVVJLBUVZED-STQMWFEESA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594604395 349459808 /nfs/dbraw/zinc/45/98/08/349459808.db2.gz YWDKTSXETDBCHB-STQMWFEESA-N 1 0 290.367 2.727 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CO1 ZINC000594925995 349512270 /nfs/dbraw/zinc/51/22/70/349512270.db2.gz RBGMEYBXZMSMCD-MPKXVKKWSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC(C3CCC3)CC2)c1 ZINC000594930778 349514943 /nfs/dbraw/zinc/51/49/43/349514943.db2.gz IWSWGPPGDQHIRL-UHFFFAOYSA-N 1 0 292.383 2.740 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000594956868 349528407 /nfs/dbraw/zinc/52/84/07/349528407.db2.gz WAPBJVJSJJUASW-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594961820 349531357 /nfs/dbraw/zinc/53/13/57/349531357.db2.gz IXIUDRSKMAOCON-AWEZNQCLSA-N 1 0 277.368 2.557 20 5 CFBDRO COc1ccc(C[NH2+]CCC(C)(C)F)cc1[N+](=O)[O-] ZINC000594973700 349535957 /nfs/dbraw/zinc/53/59/57/349535957.db2.gz UDYPVXYIWMDTML-UHFFFAOYSA-N 1 0 270.304 2.831 20 5 CFBDRO Cc1cc(NC[C@@H](O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000125120268 187170545 /nfs/dbraw/zinc/17/05/45/187170545.db2.gz OGWUIRIJDFAKKK-OAHLLOKOSA-N 1 0 289.335 2.880 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)[NH+](C)C ZINC000595006627 349545964 /nfs/dbraw/zinc/54/59/64/349545964.db2.gz MFQXNPXATLIICM-LLVKDONJSA-N 1 0 295.383 2.594 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595008085 349546026 /nfs/dbraw/zinc/54/60/26/349546026.db2.gz PRZGZHQZJRFVOZ-DGCLKSJQSA-N 1 0 276.336 2.957 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000595008069 349546079 /nfs/dbraw/zinc/54/60/79/349546079.db2.gz PIQWGEXAJPALCQ-FZMZJTMJSA-N 1 0 286.335 2.977 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O ZINC000595010659 349548613 /nfs/dbraw/zinc/54/86/13/349548613.db2.gz WBXJIGVYIBUIOQ-UTUOFQBUSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000595036161 349558404 /nfs/dbraw/zinc/55/84/04/349558404.db2.gz PZRXKHMJLIWTJT-GVXVVHGQSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCC1CC1 ZINC000595016588 349551154 /nfs/dbraw/zinc/55/11/54/349551154.db2.gz HVAXTAWZFLZLKJ-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000595016043 349551269 /nfs/dbraw/zinc/55/12/69/349551269.db2.gz GKFREYOIINKKEN-ZLKJLUDKSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000595018968 349551906 /nfs/dbraw/zinc/55/19/06/349551906.db2.gz VADVYTFTLVLGCC-VXGBXAGGSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024683 349554103 /nfs/dbraw/zinc/55/41/03/349554103.db2.gz CJBFCONBQOKUMW-YPMHNXCESA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273085604 192038787 /nfs/dbraw/zinc/03/87/87/192038787.db2.gz RQPRIYVHPOOSLP-HZPDHXFCSA-N 1 0 290.363 2.950 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@@H](C)CO ZINC000595035017 349558589 /nfs/dbraw/zinc/55/85/89/349558589.db2.gz GCANLXZIFADQND-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000595048342 349563802 /nfs/dbraw/zinc/56/38/02/349563802.db2.gz KKSKOMBLOMKJAC-WDEREUQCSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000595052202 349565484 /nfs/dbraw/zinc/56/54/84/349565484.db2.gz RDKVLEBKJDWXSH-NWDGAFQWSA-N 1 0 296.367 2.519 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000595052201 349565840 /nfs/dbraw/zinc/56/58/40/349565840.db2.gz RDKVLEBKJDWXSH-NEPJUHHUSA-N 1 0 296.367 2.519 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000595056896 349568730 /nfs/dbraw/zinc/56/87/30/349568730.db2.gz SCTNPGWUZFVHQG-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069282 349573524 /nfs/dbraw/zinc/57/35/24/349573524.db2.gz QTPBBJZJHKYYRY-NWDGAFQWSA-N 1 0 278.352 2.715 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000595040950 349560993 /nfs/dbraw/zinc/56/09/93/349560993.db2.gz IUDKHAKURUNORD-VXGBXAGGSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595092780 349579502 /nfs/dbraw/zinc/57/95/02/349579502.db2.gz WNXWBQGAYBQURA-JSGCOSHPSA-N 1 0 292.379 2.962 20 5 CFBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000595331251 349603364 /nfs/dbraw/zinc/60/33/64/349603364.db2.gz OOJXVAHCHIBIEC-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595297380 349594486 /nfs/dbraw/zinc/59/44/86/349594486.db2.gz DPBKOQPLGJXIAH-NSHDSACASA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595296866 349595201 /nfs/dbraw/zinc/59/52/01/349595201.db2.gz MYNDBVIRZCRXCE-CYBMUJFWSA-N 1 0 287.319 2.881 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595424111 349621637 /nfs/dbraw/zinc/62/16/37/349621637.db2.gz FGTYZKOKNWHGKG-CYBMUJFWSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@H](CCNc1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273101948 192043699 /nfs/dbraw/zinc/04/36/99/192043699.db2.gz FGJCVNAVSCKGAL-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000595432580 349624992 /nfs/dbraw/zinc/62/49/92/349624992.db2.gz SGMILXUPNDTDPB-JQWIXIFHSA-N 1 0 282.315 2.639 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595438805 349626920 /nfs/dbraw/zinc/62/69/20/349626920.db2.gz CATZPFIVGUPNNP-FXPVBKGRSA-N 1 0 267.329 2.806 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595453472 349630441 /nfs/dbraw/zinc/63/04/41/349630441.db2.gz PEOZBMVMPFHMKZ-GXSJLCMTSA-N 1 0 267.329 2.902 20 5 CFBDRO CCC1(CC)[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1OC ZINC000595454963 349631329 /nfs/dbraw/zinc/63/13/29/349631329.db2.gz PLKHSVVDPGKZKV-RYUDHWBXSA-N 1 0 297.355 2.575 20 5 CFBDRO CC[C@@H](C)[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174848465 529411694 /nfs/dbraw/zinc/41/16/94/529411694.db2.gz RGKRJRKDHAHVDM-NEPJUHHUSA-N 1 0 280.372 2.690 20 5 CFBDRO Cc1noc(CN[C@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000595477984 349638305 /nfs/dbraw/zinc/63/83/05/349638305.db2.gz XVUCKTRDFMAIKW-SSDOTTSWSA-N 1 0 267.310 2.804 20 5 CFBDRO Cc1noc(C[N@@H+](C)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000595480144 349639220 /nfs/dbraw/zinc/63/92/20/349639220.db2.gz JOSBLKAAEOGURC-UHFFFAOYSA-N 1 0 253.302 2.656 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595496848 349642719 /nfs/dbraw/zinc/64/27/19/349642719.db2.gz JQRIVOPNFOLSKA-UHFFFAOYSA-N 1 0 282.315 2.733 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595525803 349650972 /nfs/dbraw/zinc/65/09/72/349650972.db2.gz IGONWBBSAGNHIO-GXSJLCMTSA-N 1 0 267.329 2.902 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000595528852 349652054 /nfs/dbraw/zinc/65/20/54/349652054.db2.gz UJHJHORYYNXPIS-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595542086 349655426 /nfs/dbraw/zinc/65/54/26/349655426.db2.gz LSJXMDCKRDVLJR-NSHDSACASA-N 1 0 265.313 2.513 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131860948 529470862 /nfs/dbraw/zinc/47/08/62/529470862.db2.gz XHUBWOPSINBJAD-AAEUAGOBSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192890210 529471499 /nfs/dbraw/zinc/47/14/99/529471499.db2.gz UARXXYFQEJXVLF-SWLSCSKDSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC23CCCCC3)n1 ZINC000595603278 349671678 /nfs/dbraw/zinc/67/16/78/349671678.db2.gz GWLPPMKQMOMYNT-CYBMUJFWSA-N 1 0 292.383 2.884 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000069787099 346900363 /nfs/dbraw/zinc/90/03/63/346900363.db2.gz IZADDRJKXNLYEO-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO [NH3+]CCC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000070188313 346907839 /nfs/dbraw/zinc/90/78/39/346907839.db2.gz DPVPQCWSZHMGNR-UHFFFAOYSA-N 1 0 297.786 2.809 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595696326 349705832 /nfs/dbraw/zinc/70/58/32/349705832.db2.gz KCBSIRGHKPAPRF-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742769 349721453 /nfs/dbraw/zinc/72/14/53/349721453.db2.gz JSGBRYIYPNQHCX-UPJWGTAASA-N 1 0 292.379 2.913 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752095 349722464 /nfs/dbraw/zinc/72/24/64/349722464.db2.gz SDSQWSZASAWDCX-BLLLJJGKSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704817 349711544 /nfs/dbraw/zinc/71/15/44/349711544.db2.gz WAEWALDVOFULDK-CJNGLKHVSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000595808073 349736481 /nfs/dbraw/zinc/73/64/81/349736481.db2.gz KXCKLVJXPARMEJ-UWVGGRQHSA-N 1 0 273.292 2.578 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595806756 349736791 /nfs/dbraw/zinc/73/67/91/349736791.db2.gz FYJPETNWDWYRNR-RYUDHWBXSA-N 1 0 276.336 2.835 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000595872153 349758338 /nfs/dbraw/zinc/75/83/38/349758338.db2.gz CYPOZJHDOPQIMS-UHFFFAOYSA-N 1 0 297.374 2.944 20 5 CFBDRO Cc1noc(C[N@H+](CCC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC000595870814 349758588 /nfs/dbraw/zinc/75/85/88/349758588.db2.gz GJPYESWHAAFAOB-UHFFFAOYSA-N 1 0 279.340 2.903 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414300673 529651229 /nfs/dbraw/zinc/65/12/29/529651229.db2.gz AZYFIZHIPQVKTG-NOLJZWGESA-N 1 0 294.395 2.911 20 5 CFBDRO CC[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421379497 529668343 /nfs/dbraw/zinc/66/83/43/529668343.db2.gz LGOGGAXPEFLJFW-NWDGAFQWSA-N 1 0 293.367 2.948 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000596103194 349794591 /nfs/dbraw/zinc/79/45/91/349794591.db2.gz CGWRRMRQWBZHKE-ZIAGYGMSSA-N 1 0 295.358 2.589 20 5 CFBDRO CS[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294979844 199281079 /nfs/dbraw/zinc/28/10/79/199281079.db2.gz GMBFYZFDHCZRGL-CYBMUJFWSA-N 1 0 266.366 2.841 20 5 CFBDRO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596129152 349801204 /nfs/dbraw/zinc/80/12/04/349801204.db2.gz OFXWAJXLCGGWCN-NSHDSACASA-N 1 0 283.397 2.743 20 5 CFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000072870452 346945097 /nfs/dbraw/zinc/94/50/97/346945097.db2.gz KDWYBHOOEHFFSZ-TXEJJXNPSA-N 1 0 291.351 2.511 20 5 CFBDRO COc1ccc(C[NH+]2CCC(CF)CC2)cc1[N+](=O)[O-] ZINC000295064369 199327020 /nfs/dbraw/zinc/32/70/20/199327020.db2.gz ORMDCJWQHJVIBU-UHFFFAOYSA-N 1 0 282.315 2.785 20 5 CFBDRO Cn1cncc1CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000596242763 349838283 /nfs/dbraw/zinc/83/82/83/349838283.db2.gz XUTYHXJBVGLDQJ-UHFFFAOYSA-N 1 0 281.699 2.603 20 5 CFBDRO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])s1 ZINC000596244887 349838882 /nfs/dbraw/zinc/83/88/82/349838882.db2.gz VJDMLWCIRQFWGJ-AWEZNQCLSA-N 1 0 295.408 2.887 20 5 CFBDRO Cc1cnc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308807 349858954 /nfs/dbraw/zinc/85/89/54/349858954.db2.gz VUULYJRRENQJNS-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1noc(COc2cc(C)[nH+]c(C)c2C)c1[N+](=O)[O-] ZINC000596284337 349852927 /nfs/dbraw/zinc/85/29/27/349852927.db2.gz BZZPMGLEHKIXLP-UHFFFAOYSA-N 1 0 277.280 2.790 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596337668 349868959 /nfs/dbraw/zinc/86/89/59/349868959.db2.gz ZQWIVHWSHFKAAJ-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1cnc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337422 349869192 /nfs/dbraw/zinc/86/91/92/349869192.db2.gz WXGJPFRYYWPTRF-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO CC(C)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000127007782 187276508 /nfs/dbraw/zinc/27/65/08/187276508.db2.gz PFUCDPIPXPDCDO-FNORWQNLSA-N 1 0 289.379 2.634 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287324 347007325 /nfs/dbraw/zinc/00/73/25/347007325.db2.gz JBLWRKVIUALYIY-CABCVRRESA-N 1 0 278.352 2.720 20 5 CFBDRO C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000128162314 187354629 /nfs/dbraw/zinc/35/46/29/187354629.db2.gz QMKWUGJALICTQG-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH+](C)C ZINC000596427165 349900086 /nfs/dbraw/zinc/90/00/86/349900086.db2.gz ANRZAGGSFCTMNI-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO COc1cc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000596428632 349900598 /nfs/dbraw/zinc/90/05/98/349900598.db2.gz FXVKFHWFIIXHHC-LLVKDONJSA-N 1 0 281.356 2.664 20 5 CFBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000074773133 347032313 /nfs/dbraw/zinc/03/23/13/347032313.db2.gz GTHULJXHGGSLDC-UHFFFAOYSA-N 1 0 280.372 2.911 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413084366 530057872 /nfs/dbraw/zinc/05/78/72/530057872.db2.gz NDQVKTLKKBPUFJ-CYBMUJFWSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cnc(N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596487878 349916995 /nfs/dbraw/zinc/91/69/95/349916995.db2.gz LCUUXSJJJODWHY-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1noc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000103904583 282386289 /nfs/dbraw/zinc/38/62/89/282386289.db2.gz BGRBCPHGRTZOSZ-UHFFFAOYSA-N 1 0 275.308 2.532 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1([NH+](C)C)CCC1 ZINC000097927896 232182612 /nfs/dbraw/zinc/18/26/12/232182612.db2.gz OBBFHHACQLJODK-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)[N@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450305554 535010273 /nfs/dbraw/zinc/01/02/73/535010273.db2.gz WRHPEZLLRZHONU-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)[NH+](CCNc1cccnc1[N+](=O)[O-])C(C)C ZINC000005389865 346211288 /nfs/dbraw/zinc/21/12/88/346211288.db2.gz WOMHWMNWNPHYFN-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO O=[N+]([O-])c1ncccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596564001 349942330 /nfs/dbraw/zinc/94/23/30/349942330.db2.gz XOUBPNSQCOEHMC-UHFFFAOYSA-N 1 0 290.367 2.524 20 5 CFBDRO CCC[NH+](CCC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000027270003 346268899 /nfs/dbraw/zinc/26/88/99/346268899.db2.gz ZNNPFZLGHXTHBH-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030269455 346287618 /nfs/dbraw/zinc/28/76/18/346287618.db2.gz IOKPXBPAAKFWGI-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000038000155 346336260 /nfs/dbraw/zinc/33/62/60/346336260.db2.gz SZQWYBAPAKOQDW-ZBFHGGJFSA-N 1 0 289.379 2.559 20 5 CFBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000053037327 346536431 /nfs/dbraw/zinc/53/64/31/346536431.db2.gz OYCOXWIGXYKLLB-UHFFFAOYSA-N 1 0 276.292 2.665 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC(C)C ZINC000053361048 346543770 /nfs/dbraw/zinc/54/37/70/346543770.db2.gz BMNRDUDYSHAYSD-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000053814244 346552790 /nfs/dbraw/zinc/55/27/90/346552790.db2.gz PTTIKUJVOHMAKT-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000060333536 346662522 /nfs/dbraw/zinc/66/25/22/346662522.db2.gz YSVXQSUGZKSNQH-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO CCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000060843481 346672310 /nfs/dbraw/zinc/67/23/10/346672310.db2.gz MJOHNXKXXSJAOH-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000057838452 346638692 /nfs/dbraw/zinc/63/86/92/346638692.db2.gz ZJMFFIHZEYCJLX-UHFFFAOYSA-N 1 0 281.331 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC(F)(F)F)cc1 ZINC000063100168 346695341 /nfs/dbraw/zinc/69/53/41/346695341.db2.gz LCDVFBAJPLLZPL-UHFFFAOYSA-N 1 0 262.231 2.679 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccncc2[N+](=O)[O-])C1 ZINC000066809144 346780717 /nfs/dbraw/zinc/78/07/17/346780717.db2.gz KURLQGLNZKGSPN-STQMWFEESA-N 1 0 292.383 2.770 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000078252150 347234772 /nfs/dbraw/zinc/23/47/72/347234772.db2.gz WNGYAJGRIGPJBM-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000078332809 347241943 /nfs/dbraw/zinc/24/19/43/347241943.db2.gz OOZUUUPPLRLYID-BXUZGUMPSA-N 1 0 295.358 2.900 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000308381982 232645069 /nfs/dbraw/zinc/64/50/69/232645069.db2.gz XFCVLBYEDZMYRI-HUUCEWRRSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1cnc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078628601 347266091 /nfs/dbraw/zinc/26/60/91/347266091.db2.gz FJUPXXOPULBJIY-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078631982 347266555 /nfs/dbraw/zinc/26/65/55/347266555.db2.gz ICRWRMZLLKAPMH-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000080599393 347368818 /nfs/dbraw/zinc/36/88/18/347368818.db2.gz BBAXXLWWWBPLCB-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000080611246 347369495 /nfs/dbraw/zinc/36/94/95/347369495.db2.gz VGYNDNFRGFHWJF-CYBMUJFWSA-N 1 0 275.352 2.578 20 5 CFBDRO CC[NH+](CC)CCSc1ncc(C)cc1[N+](=O)[O-] ZINC000081006155 347396139 /nfs/dbraw/zinc/39/61/39/347396139.db2.gz QOWFVSGAUPUVHQ-UHFFFAOYSA-N 1 0 269.370 2.732 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000081521490 347424110 /nfs/dbraw/zinc/42/41/10/347424110.db2.gz IMJZJPUPRKLAJF-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000400606033 232676546 /nfs/dbraw/zinc/67/65/46/232676546.db2.gz GZQLMKRSVNAWKR-CYBMUJFWSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1c(C[NH2+]CC2(O)CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000087062163 347490848 /nfs/dbraw/zinc/49/08/48/347490848.db2.gz HCFVUVUZRHAXOH-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000088701410 347507214 /nfs/dbraw/zinc/50/72/14/347507214.db2.gz WTVNYNUENMCFPT-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000088701409 347507307 /nfs/dbraw/zinc/50/73/07/347507307.db2.gz WTVNYNUENMCFPT-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090998108 347564646 /nfs/dbraw/zinc/56/46/46/347564646.db2.gz GFOQOCKSRRDEDE-UHFFFAOYSA-N 1 0 286.335 2.630 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091484525 347590739 /nfs/dbraw/zinc/59/07/39/347590739.db2.gz VVDFMFSXMKOQRH-AWEZNQCLSA-N 1 0 289.379 2.907 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](CCO)C1 ZINC000093105948 347661662 /nfs/dbraw/zinc/66/16/62/347661662.db2.gz MNEDTTITFIWKQS-GBXSZLQWSA-N 1 0 290.363 2.702 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[NH2+]C(C)(C)C)c1 ZINC000092649043 347636492 /nfs/dbraw/zinc/63/64/92/347636492.db2.gz JOEYZDCBXJCKFS-UHFFFAOYSA-N 1 0 285.319 2.543 20 5 CFBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092685987 347640570 /nfs/dbraw/zinc/64/05/70/347640570.db2.gz WJKYPJAQKUAMHU-BBRMVZONSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCCC2)cc1 ZINC000094512655 347695537 /nfs/dbraw/zinc/69/55/37/347695537.db2.gz NNTCRSMFJWBAKM-UHFFFAOYSA-N 1 0 278.352 2.627 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000094659411 347696051 /nfs/dbraw/zinc/69/60/51/347696051.db2.gz WVZVBJUSDDUOTI-LBPRGKRZSA-N 1 0 275.352 2.799 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121439937 347811736 /nfs/dbraw/zinc/81/17/36/347811736.db2.gz XTXGZLAJCNQIQU-BZPMIXESSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCCS1 ZINC000122173162 347814547 /nfs/dbraw/zinc/81/45/47/347814547.db2.gz GOZGYWSYFPJKKW-CQSZACIVSA-N 1 0 296.392 2.979 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000142326079 347934031 /nfs/dbraw/zinc/93/40/31/347934031.db2.gz JDARRDVOXNVVLP-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000142906120 347935488 /nfs/dbraw/zinc/93/54/88/347935488.db2.gz HLFMXYFOBRTOMB-GFCCVEGCSA-N 1 0 295.770 2.923 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000086682626 179319802 /nfs/dbraw/zinc/31/98/02/179319802.db2.gz QHVVCLMKLVAKEU-RISCZKNCSA-N 1 0 266.341 2.916 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000086682622 179320118 /nfs/dbraw/zinc/32/01/18/179320118.db2.gz QHVVCLMKLVAKEU-BXUZGUMPSA-N 1 0 266.341 2.916 20 5 CFBDRO CCO[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000155475094 347987302 /nfs/dbraw/zinc/98/73/02/347987302.db2.gz KQFIHFISKNYAGY-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000157664882 348001367 /nfs/dbraw/zinc/00/13/67/348001367.db2.gz DOTNWBPIQPVDSF-MNOVXSKESA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc(C[NH2+]CC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000227636014 348189609 /nfs/dbraw/zinc/18/96/09/348189609.db2.gz VMZKDDKMSGUAGS-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087012303 179379477 /nfs/dbraw/zinc/37/94/77/179379477.db2.gz JOPQUYYJFZKUSS-RISCZKNCSA-N 1 0 266.341 2.715 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000250748272 348288980 /nfs/dbraw/zinc/28/89/80/348288980.db2.gz BRRAXXVTBAFXGR-OLZOCXBDSA-N 1 0 295.408 2.763 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000220525770 539620944 /nfs/dbraw/zinc/62/09/44/539620944.db2.gz GIKVYJJVXOKLOM-SNVBAGLBSA-N 1 0 291.355 2.613 20 5 CFBDRO Cc1ccc(C[NH2+]CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000308687920 348404542 /nfs/dbraw/zinc/40/45/42/348404542.db2.gz CGAQGQRWOHJSLY-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000402019403 348579798 /nfs/dbraw/zinc/57/97/98/348579798.db2.gz DRYCGSNUFYBVEI-SCZZXKLOSA-N 1 0 270.716 2.515 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402254410 348581922 /nfs/dbraw/zinc/58/19/22/348581922.db2.gz AQQGKJZRHRHNMJ-SUHUHFCYSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404374365 348591462 /nfs/dbraw/zinc/59/14/62/348591462.db2.gz RRRVQPCWLCNDTA-GXSJLCMTSA-N 1 0 298.774 2.597 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCC[NH+]1CCCCCC1 ZINC000589105811 348810972 /nfs/dbraw/zinc/81/09/72/348810972.db2.gz YHEUGUCQKSZZRT-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO CCCC[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494184 348836116 /nfs/dbraw/zinc/83/61/16/348836116.db2.gz CIPUJLWEDIQCOE-UHFFFAOYSA-N 1 0 280.324 2.613 20 5 CFBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591845638 349051323 /nfs/dbraw/zinc/05/13/23/349051323.db2.gz YCKOCXAQXWAHDV-AWEZNQCLSA-N 1 0 278.352 2.845 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CCCC[NH2+]1 ZINC000591426910 349018981 /nfs/dbraw/zinc/01/89/81/349018981.db2.gz GMZJLZLDOIJXJN-NSHDSACASA-N 1 0 286.335 2.697 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000591505420 349027581 /nfs/dbraw/zinc/02/75/81/349027581.db2.gz OGDDVJXOLCVVGA-AWEZNQCLSA-N 1 0 290.363 2.783 20 5 CFBDRO CC[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578059 349032145 /nfs/dbraw/zinc/03/21/45/349032145.db2.gz RMQICNLSZWJXNQ-HIFRSBDPSA-N 1 0 277.368 2.778 20 5 CFBDRO C[N@H+](CCC[C@H]1CCOC1)CCc1ccccc1[N+](=O)[O-] ZINC000592121766 349086319 /nfs/dbraw/zinc/08/63/19/349086319.db2.gz ICZBLLPHLLRDNG-AWEZNQCLSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357977 349108688 /nfs/dbraw/zinc/10/86/88/349108688.db2.gz ZWSSATDLPZCDRL-TVRMLOFPSA-N 1 0 286.291 2.573 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592372808 349111259 /nfs/dbraw/zinc/11/12/59/349111259.db2.gz RHSDVSKXXUXQMM-SECBINFHSA-N 1 0 258.268 2.976 20 5 CFBDRO Cc1ccc([C@@H](C)NC(=O)CCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000592541735 349137714 /nfs/dbraw/zinc/13/77/14/349137714.db2.gz LFSQHDVTCBSDSC-LLVKDONJSA-N 1 0 293.367 2.598 20 5 CFBDRO Cc1ccc(CNCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593647068 349303646 /nfs/dbraw/zinc/30/36/46/349303646.db2.gz VRYSPMOVAUSUFM-UHFFFAOYSA-N 1 0 293.411 2.971 20 5 CFBDRO COc1cc(C[NH2+]C2CC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000593688332 349310126 /nfs/dbraw/zinc/31/01/26/349310126.db2.gz ORFDPYDUAMYOLD-UHFFFAOYSA-N 1 0 292.335 2.731 20 5 CFBDRO C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593735024 349316256 /nfs/dbraw/zinc/31/62/56/349316256.db2.gz UUJSRELNPVMUJZ-BXUZGUMPSA-N 1 0 295.358 2.683 20 5 CFBDRO Cc1noc([C@@H](C)N(C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037818 349359105 /nfs/dbraw/zinc/35/91/05/349359105.db2.gz SZALNTDREPESCG-SNVBAGLBSA-N 1 0 290.323 2.522 20 5 CFBDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495810 349430542 /nfs/dbraw/zinc/43/05/42/349430542.db2.gz SPBUHKZQJYFZJO-SMDDNHRTSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)OCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499558 349432191 /nfs/dbraw/zinc/43/21/91/349432191.db2.gz GDZRRSBFHBACDC-ZDUSSCGKSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503310 349432903 /nfs/dbraw/zinc/43/29/03/349432903.db2.gz UYVLFLHLTRDBRC-LALPHHSUSA-N 1 0 290.363 2.987 20 5 CFBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414480523 233265367 /nfs/dbraw/zinc/26/53/67/233265367.db2.gz KLPQHNNQSBOQKS-LLVKDONJSA-N 1 0 266.341 2.665 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597207636 350055943 /nfs/dbraw/zinc/05/59/43/350055943.db2.gz ZPPPPJACEIXHIC-INIZCTEOSA-N 1 0 290.363 2.640 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414498069 233271579 /nfs/dbraw/zinc/27/15/79/233271579.db2.gz HEOFYVLTTIGWEX-PWSUYJOCSA-N 1 0 296.392 2.977 20 5 CFBDRO C[C@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271265043 191037481 /nfs/dbraw/zinc/03/74/81/191037481.db2.gz BIPZTGMZHKWJPW-UWVGGRQHSA-N 1 0 270.354 2.561 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000091399961 180147088 /nfs/dbraw/zinc/14/70/88/180147088.db2.gz HZRDTHCLDSELEV-HNNXBMFYSA-N 1 0 286.335 2.532 20 5 CFBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000414830615 233370135 /nfs/dbraw/zinc/37/01/35/233370135.db2.gz BEXFYYIPTNUYFK-HNNXBMFYSA-N 1 0 295.358 2.731 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[NH3+])C1CCCCC1 ZINC000414833506 233371419 /nfs/dbraw/zinc/37/14/19/233371419.db2.gz FVPRUUYJKDQVRK-INIZCTEOSA-N 1 0 291.395 2.900 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598645349 350300800 /nfs/dbraw/zinc/30/08/00/350300800.db2.gz HFOWSOLUIUMCQF-YRGRVCCFSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1c(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000598647999 350301026 /nfs/dbraw/zinc/30/10/26/350301026.db2.gz NJQACWSPEVQVIZ-CQSZACIVSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC=CC2)n1 ZINC000599063525 350368152 /nfs/dbraw/zinc/36/81/52/350368152.db2.gz CQINXVXAQHKKSO-ZIAGYGMSSA-N 1 0 290.367 2.831 20 5 CFBDRO C[NH+](C)CCSc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599061993 350368214 /nfs/dbraw/zinc/36/82/14/350368214.db2.gz NKUQQFCVEDUJFO-UHFFFAOYSA-N 1 0 277.349 2.797 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CCC(C)C ZINC000598991181 350355723 /nfs/dbraw/zinc/35/57/23/350355723.db2.gz LQMVBCBVHXQLGX-CQSZACIVSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc2cnccc21 ZINC000599026149 350361081 /nfs/dbraw/zinc/36/10/81/350361081.db2.gz BPKUIIWOVJYACF-GFCCVEGCSA-N 1 0 298.346 2.792 20 5 CFBDRO CO[C@@H](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038070 350362837 /nfs/dbraw/zinc/36/28/37/350362837.db2.gz MRXZKNGTSRODMV-JTQLQIEISA-N 1 0 275.308 2.980 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000599042512 350363488 /nfs/dbraw/zinc/36/34/88/350363488.db2.gz SZXANRVKXXZGFR-IUODEOHRSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000599042508 350363663 /nfs/dbraw/zinc/36/36/63/350363663.db2.gz SZXANRVKXXZGFR-DOMZBBRYSA-N 1 0 278.352 2.685 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599068367 350370282 /nfs/dbraw/zinc/37/02/82/350370282.db2.gz NYWAUVFPOYMKOA-WFASDCNBSA-N 1 0 292.379 2.969 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599092242 350374162 /nfs/dbraw/zinc/37/41/62/350374162.db2.gz JMMDXXXNNGCNPJ-WHOFXGATSA-N 1 0 276.336 2.739 20 5 CFBDRO O=[N+]([O-])c1c(NC[C@H](O)C2CCC2)ccc2cnccc21 ZINC000599086977 350374334 /nfs/dbraw/zinc/37/43/34/350374334.db2.gz DLGYJBCZCTVTJJ-AWEZNQCLSA-N 1 0 287.319 2.716 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599092688 350374432 /nfs/dbraw/zinc/37/44/32/350374432.db2.gz RZEZTEKSDSJZOT-DIOULYMOSA-N 1 0 290.363 2.987 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599092689 350374532 /nfs/dbraw/zinc/37/45/32/350374532.db2.gz RZEZTEKSDSJZOT-PEYYIBSZSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599626751 350467229 /nfs/dbraw/zinc/46/72/29/350467229.db2.gz ZLOBEALLZIZNHH-LFNDISMMSA-N 1 0 282.315 2.635 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599635060 350468895 /nfs/dbraw/zinc/46/88/95/350468895.db2.gz IBILBJXCTPLFRY-IVMMDQJWSA-N 1 0 290.363 2.750 20 5 CFBDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000600140893 350518526 /nfs/dbraw/zinc/51/85/26/350518526.db2.gz ARHSQNKGGHHTGD-OLZOCXBDSA-N 1 0 280.372 2.597 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000600680015 350596410 /nfs/dbraw/zinc/59/64/10/350596410.db2.gz QYWZQZICECNODV-VNHYZAJKSA-N 1 0 291.395 2.646 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000600680014 350596438 /nfs/dbraw/zinc/59/64/38/350596438.db2.gz QYWZQZICECNODV-UMVBOHGHSA-N 1 0 291.395 2.646 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000600679251 350596484 /nfs/dbraw/zinc/59/64/84/350596484.db2.gz ULEONRLJEPRTAL-CYBMUJFWSA-N 1 0 295.770 2.622 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000600680013 350596613 /nfs/dbraw/zinc/59/66/13/350596613.db2.gz QYWZQZICECNODV-NFAWXSAZSA-N 1 0 291.395 2.646 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000600710374 350598940 /nfs/dbraw/zinc/59/89/40/350598940.db2.gz RKUGTPWROPSULM-SWLSCSKDSA-N 1 0 289.379 2.838 20 5 CFBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709677 350599296 /nfs/dbraw/zinc/59/92/96/350599296.db2.gz PKNRTKSMACNYDX-SMDDNHRTSA-N 1 0 275.352 2.530 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000600712754 350599881 /nfs/dbraw/zinc/59/98/81/350599881.db2.gz XTDWHLSCPPGDKX-FPMFFAJLSA-N 1 0 277.368 2.694 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC000600784497 350611602 /nfs/dbraw/zinc/61/16/02/350611602.db2.gz LBFUDGGPMOMCCK-UHFFFAOYSA-N 1 0 297.358 2.667 20 5 CFBDRO CC(C)([NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000601124768 350675509 /nfs/dbraw/zinc/67/55/09/350675509.db2.gz SMHOFXBTHOPGLE-UHFFFAOYSA-N 1 0 287.319 2.720 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCCC23CC3)c([N+](=O)[O-])cc1O ZINC000601137321 350679288 /nfs/dbraw/zinc/67/92/88/350679288.db2.gz AZIUOMUBDUCHRX-AWEZNQCLSA-N 1 0 292.335 2.731 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000601140296 350680334 /nfs/dbraw/zinc/68/03/34/350680334.db2.gz SXQKVONXFZSORS-PODYEWJSSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)(F)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000601288477 350717996 /nfs/dbraw/zinc/71/79/96/350717996.db2.gz YRKSYHDFWARNGB-WDEREUQCSA-N 1 0 284.335 2.613 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)O1 ZINC000601299578 350719030 /nfs/dbraw/zinc/71/90/30/350719030.db2.gz RSZQKSJUJGQNQR-QOBDMFJFSA-N 1 0 276.336 2.738 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601299069 350719212 /nfs/dbraw/zinc/71/92/12/350719212.db2.gz NIGXANSUMFZSNI-SKDRFNHKSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC000601320358 350723835 /nfs/dbraw/zinc/72/38/35/350723835.db2.gz FWIKIWCAMGSNJD-FZMZJTMJSA-N 1 0 286.335 2.977 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CCC1 ZINC000111298549 186393155 /nfs/dbraw/zinc/39/31/55/186393155.db2.gz SICDZMQEEYVNDG-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO COCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602503367 350907399 /nfs/dbraw/zinc/90/73/99/350907399.db2.gz IDXAQOALONQPLW-UHFFFAOYSA-N 1 0 292.257 2.740 20 5 CFBDRO C[C@H]([NH2+]CCC[C@@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC000602518314 350912543 /nfs/dbraw/zinc/91/25/43/350912543.db2.gz PLECTBSJBUQYFX-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000602544040 350919185 /nfs/dbraw/zinc/91/91/85/350919185.db2.gz HMMPGPLRCMOYJY-JOYOIKCWSA-N 1 0 270.279 2.771 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000602547197 350920311 /nfs/dbraw/zinc/92/03/11/350920311.db2.gz BHWWZFDMRRZPHG-GZMMTYOYSA-N 1 0 286.278 2.737 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000602557888 350923413 /nfs/dbraw/zinc/92/34/13/350923413.db2.gz MGSCRWSRXSMBAY-GXSJLCMTSA-N 1 0 270.279 2.771 20 5 CFBDRO CS[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602572899 350929482 /nfs/dbraw/zinc/92/94/82/350929482.db2.gz USAHUURGKUHSLM-MRVPVSSYSA-N 1 0 281.337 2.577 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000602581553 350933782 /nfs/dbraw/zinc/93/37/82/350933782.db2.gz KFFDPMHIOSUNBE-VXGBXAGGSA-N 1 0 264.325 2.815 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602454763 350888996 /nfs/dbraw/zinc/88/89/96/350888996.db2.gz UBQPYJIVAUJIQM-LBPRGKRZSA-N 1 0 280.372 2.729 20 5 CFBDRO Cn1cc(C[N@H+](C)CCC2CCCCC2)c([N+](=O)[O-])n1 ZINC000602468234 350893946 /nfs/dbraw/zinc/89/39/46/350893946.db2.gz ZKVNHAMGSXEICY-UHFFFAOYSA-N 1 0 280.372 2.731 20 5 CFBDRO CC1(C)CCC[C@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602673928 350971914 /nfs/dbraw/zinc/97/19/14/350971914.db2.gz DSXVWCCMJIMIHX-INIZCTEOSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@H](F)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673986 350972059 /nfs/dbraw/zinc/97/20/59/350972059.db2.gz AYSSVSISBWOMSS-QMMMGPOBSA-N 1 0 267.260 2.574 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602674982 350972876 /nfs/dbraw/zinc/97/28/76/350972876.db2.gz JBWVXWJVKGYOLS-CQSZACIVSA-N 1 0 293.323 2.641 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000602690811 350980540 /nfs/dbraw/zinc/98/05/40/350980540.db2.gz PILKCDYUYWGLOU-BZPMIXESSA-N 1 0 278.352 2.540 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)nc2c1 ZINC000602719822 350999013 /nfs/dbraw/zinc/99/90/13/350999013.db2.gz UYABBUHHKZTLHF-MSRIBSCDSA-N 1 0 273.292 2.624 20 5 CFBDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602731822 351004856 /nfs/dbraw/zinc/00/48/56/351004856.db2.gz YECSDFDSYGTCLA-AAOUONPWSA-N 1 0 278.356 2.507 20 5 CFBDRO CCC1(CC)CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602621197 350949764 /nfs/dbraw/zinc/94/97/64/350949764.db2.gz BPFHHZTZMWAFIW-UHFFFAOYSA-N 1 0 280.372 2.731 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000602766033 351018264 /nfs/dbraw/zinc/01/82/64/351018264.db2.gz NZXXRPFODOHDLO-JTQLQIEISA-N 1 0 294.380 2.854 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(C)c1 ZINC000602767737 351018562 /nfs/dbraw/zinc/01/85/62/351018562.db2.gz IWPJLFXPLUECMZ-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000602797574 351029022 /nfs/dbraw/zinc/02/90/22/351029022.db2.gz KCQCGIVRCMWFAN-GFCCVEGCSA-N 1 0 292.383 2.612 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cnccn1)C1CC1 ZINC000602799398 351029496 /nfs/dbraw/zinc/02/94/96/351029496.db2.gz SIVHKFOSMPQFJJ-UHFFFAOYSA-N 1 0 298.346 2.592 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000602811147 351034629 /nfs/dbraw/zinc/03/46/29/351034629.db2.gz KLEDBTRXZKAVGL-YPMHNXCESA-N 1 0 294.399 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602897426 351060317 /nfs/dbraw/zinc/06/03/17/351060317.db2.gz JFGDNGSBMKYYIM-OAHLLOKOSA-N 1 0 298.346 2.764 20 5 CFBDRO CCCCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962610 351073425 /nfs/dbraw/zinc/07/34/25/351073425.db2.gz MWWKHJJSHMVMIG-CQSZACIVSA-N 1 0 266.341 2.582 20 5 CFBDRO C[C@](CO)([NH2+]CCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000602962349 351073445 /nfs/dbraw/zinc/07/34/45/351073445.db2.gz JQRSSJZRRQQYFY-CQSZACIVSA-N 1 0 284.331 2.532 20 5 CFBDRO C[C@](CO)([NH2+][C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965912 351073455 /nfs/dbraw/zinc/07/34/55/351073455.db2.gz RBCFIJUKCJNVLC-UKRRQHHQSA-N 1 0 276.336 2.501 20 5 CFBDRO COc1cc(C[NH+]2CCC(C)(F)CC2)ccc1[N+](=O)[O-] ZINC000602993278 351087629 /nfs/dbraw/zinc/08/76/29/351087629.db2.gz WKSULNPDFZZYKL-UHFFFAOYSA-N 1 0 282.315 2.927 20 5 CFBDRO CC(=O)c1ccc(N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000603406544 351158193 /nfs/dbraw/zinc/15/81/93/351158193.db2.gz JXLPZYJSVOSAIK-TZMCWYRMSA-N 1 0 291.351 2.692 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC(C)C ZINC000603425188 351161797 /nfs/dbraw/zinc/16/17/97/351161797.db2.gz RQJVACFKJSDWON-JEMSNHSXSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000603431813 351163826 /nfs/dbraw/zinc/16/38/26/351163826.db2.gz HEYPURYRBGEDNO-GRYCIOLGSA-N 1 0 295.358 2.682 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000603431817 351163887 /nfs/dbraw/zinc/16/38/87/351163887.db2.gz HEYPURYRBGEDNO-UTUOFQBUSA-N 1 0 295.358 2.682 20 5 CFBDRO CC[N@H+](CCSC)Cc1cccc([N+](=O)[O-])c1 ZINC000603603695 351175823 /nfs/dbraw/zinc/17/58/23/351175823.db2.gz QHRIUMZZGCCOMR-UHFFFAOYSA-N 1 0 254.355 2.780 20 5 CFBDRO CCC(CC)[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000603845785 351185802 /nfs/dbraw/zinc/18/58/02/351185802.db2.gz NQNUPYWWTJJNHL-CYBMUJFWSA-N 1 0 280.372 2.768 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2C3CCC2CC3)cc1 ZINC000604012514 351196354 /nfs/dbraw/zinc/19/63/54/351196354.db2.gz KMKSJCUUAIRQGH-UHFFFAOYSA-N 1 0 276.336 2.991 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000604408746 351211318 /nfs/dbraw/zinc/21/13/18/351211318.db2.gz GNOQENRZHCGVGK-VIFPVBQESA-N 1 0 255.343 2.553 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000604409323 351211551 /nfs/dbraw/zinc/21/15/51/351211551.db2.gz YMMARATZHRPLGV-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000604433468 351212294 /nfs/dbraw/zinc/21/22/94/351212294.db2.gz IRSLIVYMQMJLAA-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609385549 351500135 /nfs/dbraw/zinc/50/01/35/351500135.db2.gz ANACHMXOVLVVCL-CQSZACIVSA-N 1 0 277.368 2.557 20 5 CFBDRO CC(C)[N@H+](C)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000608972742 351482695 /nfs/dbraw/zinc/48/26/95/351482695.db2.gz LISGWHBZRHHJFB-UHFFFAOYSA-N 1 0 292.383 2.546 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609204247 351491902 /nfs/dbraw/zinc/49/19/02/351491902.db2.gz YRUMHMALACOPFF-QWHCGFSZSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@H](COC)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000610010164 351531551 /nfs/dbraw/zinc/53/15/51/351531551.db2.gz ZZSBWEKFWNKZPN-FWPCIQOSSA-N 1 0 264.325 2.623 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1Oc1cc(-n2ccnc2)ncn1 ZINC000610129247 351534364 /nfs/dbraw/zinc/53/43/64/351534364.db2.gz MRWAAPRFCKDUPN-UHFFFAOYSA-N 1 0 297.274 2.671 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000610279788 351548148 /nfs/dbraw/zinc/54/81/48/351548148.db2.gz BKFBYGCQWJGSEB-BDAKNGLRSA-N 1 0 255.343 2.551 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCOC1 ZINC000610476270 351569114 /nfs/dbraw/zinc/56/91/14/351569114.db2.gz YOLMVYUGCNBSOT-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])s2)CC1 ZINC000610514575 351575353 /nfs/dbraw/zinc/57/53/53/351575353.db2.gz DPYXTEOAEIQKEN-UHFFFAOYSA-N 1 0 283.397 2.965 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1 ZINC000610804188 351610846 /nfs/dbraw/zinc/61/08/46/351610846.db2.gz MUOUTOJVUPLODX-UKRRQHHQSA-N 1 0 291.395 2.600 20 5 CFBDRO Cc1c(C[NH+]2CCC3(CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000611178381 351647457 /nfs/dbraw/zinc/64/74/57/351647457.db2.gz VQBDPEMRQYJZBH-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179632 351648207 /nfs/dbraw/zinc/64/82/07/351648207.db2.gz GSZPLKHEYPJBCC-JTQLQIEISA-N 1 0 256.252 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000611179688 351648568 /nfs/dbraw/zinc/64/85/68/351648568.db2.gz HOVBJBCKQHFFFH-LLVKDONJSA-N 1 0 270.279 2.724 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179633 351648777 /nfs/dbraw/zinc/64/87/77/351648777.db2.gz GSZPLKHEYPJBCC-SNVBAGLBSA-N 1 0 256.252 2.682 20 5 CFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000611202987 351651527 /nfs/dbraw/zinc/65/15/27/351651527.db2.gz XBTGOOILEHKGQI-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CCN1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611222070 351652315 /nfs/dbraw/zinc/65/23/15/351652315.db2.gz WNUYNDIPNRRCQN-ZJUUUORDSA-N 1 0 298.774 2.562 20 5 CFBDRO CC(C)(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000611269802 351661068 /nfs/dbraw/zinc/66/10/68/351661068.db2.gz ZFQQKHQUWKDRFJ-VURMDHGXSA-N 1 0 292.379 2.948 20 5 CFBDRO C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000611413137 351686014 /nfs/dbraw/zinc/68/60/14/351686014.db2.gz UEHYNJVQJGOIBX-IUCAKERBSA-N 1 0 255.343 2.551 20 5 CFBDRO COc1cc(C[N@H+](C)CCOC(C)(C)C)ccc1[N+](=O)[O-] ZINC000611516541 351702594 /nfs/dbraw/zinc/70/25/94/351702594.db2.gz XVJIXJWDUXPZRY-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C ZINC000611285455 351664586 /nfs/dbraw/zinc/66/45/86/351664586.db2.gz FAOZMAJUZLJTAH-MNOVXSKESA-N 1 0 292.335 2.596 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370298 351675405 /nfs/dbraw/zinc/67/54/05/351675405.db2.gz LTXLJMRQUTYNNR-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO CCC(CC)(CC)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000611714419 351727690 /nfs/dbraw/zinc/72/76/90/351727690.db2.gz RFJABSQLLGURHX-UHFFFAOYSA-N 1 0 268.361 2.597 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](OC(F)F)C2)cs1 ZINC000611578523 351710704 /nfs/dbraw/zinc/71/07/04/351710704.db2.gz PYQBHHVRDXLPPR-SECBINFHSA-N 1 0 292.307 2.860 20 5 CFBDRO COc1ccc(C[N@H+]2CCC[C@H](OC)CC2)cc1[N+](=O)[O-] ZINC000611943588 351754166 /nfs/dbraw/zinc/75/41/66/351754166.db2.gz PRDZVMMLBQNAJR-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CCCC[C@@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000122427966 187032022 /nfs/dbraw/zinc/03/20/22/187032022.db2.gz APBMUCSYUBKGDH-ZDUSSCGKSA-N 1 0 296.367 2.898 20 5 CFBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000122565444 187038590 /nfs/dbraw/zinc/03/85/90/187038590.db2.gz QGHCBKMTHZCPNW-UHFFFAOYSA-N 1 0 286.763 2.787 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291758773 198082956 /nfs/dbraw/zinc/08/29/56/198082956.db2.gz LADDOHYJJPXBLO-SWLSCSKDSA-N 1 0 286.335 2.799 20 5 CFBDRO C[C@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122992257 187064585 /nfs/dbraw/zinc/06/45/85/187064585.db2.gz LUPZLJAYIMEOPY-UWVGGRQHSA-N 1 0 279.315 2.771 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000123331932 187085549 /nfs/dbraw/zinc/08/55/49/187085549.db2.gz CLGMEPUJPTVQCY-RYUDHWBXSA-N 1 0 264.325 2.846 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000613064602 351895594 /nfs/dbraw/zinc/89/55/94/351895594.db2.gz SEIPUTMLMBJXRN-LLVKDONJSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000271453205 191145817 /nfs/dbraw/zinc/14/58/17/191145817.db2.gz GLDRYJDLYCXGMW-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(C)C1 ZINC000615720617 352236242 /nfs/dbraw/zinc/23/62/42/352236242.db2.gz YADBFPSFYPAHMO-UZGISAJGSA-N 1 0 289.379 2.682 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cn[nH]c1 ZINC000615835638 352247646 /nfs/dbraw/zinc/24/76/46/352247646.db2.gz WRONBKVQWCCSRF-WUXMJOGZSA-N 1 0 286.335 2.853 20 5 CFBDRO C[C@H](F)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565842966 290329925 /nfs/dbraw/zinc/32/99/25/290329925.db2.gz JKYHSDDNKKNZFS-CABZTGNLSA-N 1 0 252.289 2.920 20 5 CFBDRO CC(C)OCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292045391 198143896 /nfs/dbraw/zinc/14/38/96/198143896.db2.gz AYRFSYVEPOPFLD-UHFFFAOYSA-N 1 0 266.341 2.845 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561406 191212115 /nfs/dbraw/zinc/21/21/15/191212115.db2.gz PTBAXYRFTJRYKP-NWDGAFQWSA-N 1 0 291.351 2.796 20 5 CFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2COC)ccc1[N+](=O)[O-] ZINC000617206900 352514074 /nfs/dbraw/zinc/51/40/74/352514074.db2.gz WIUCYSLDAGRONK-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000618566850 352810876 /nfs/dbraw/zinc/81/08/76/352810876.db2.gz HVWKJTCKGMZKSA-XBFCOCLRSA-N 1 0 292.383 2.911 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CCCOC)cc1[N+](=O)[O-] ZINC000152535232 188027215 /nfs/dbraw/zinc/02/72/15/188027215.db2.gz KAYAJJXYHBGEPW-NSHDSACASA-N 1 0 282.340 2.681 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000154077904 188121468 /nfs/dbraw/zinc/12/14/68/188121468.db2.gz QLTAUFSUFCXDBP-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000154147579 188126234 /nfs/dbraw/zinc/12/62/34/188126234.db2.gz QZNSMSNRSPELTD-NSHDSACASA-N 1 0 284.743 2.717 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](O)CC)cc1[N+](=O)[O-] ZINC000154276903 188133152 /nfs/dbraw/zinc/13/31/52/188133152.db2.gz FDSOBJZXAOWLMG-WCQYABFASA-N 1 0 296.367 2.805 20 5 CFBDRO CC(C)[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292477403 198302304 /nfs/dbraw/zinc/30/23/04/198302304.db2.gz AEPATQPLFXSMSA-HNNXBMFYSA-N 1 0 278.352 2.576 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000157404478 188315330 /nfs/dbraw/zinc/31/53/30/188315330.db2.gz LQZFKTWLWBGIFI-LBPRGKRZSA-N 1 0 292.364 2.690 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000171706435 188755358 /nfs/dbraw/zinc/75/53/58/188755358.db2.gz HZBVDZCXYKPLDS-INIZCTEOSA-N 1 0 289.379 2.655 20 5 CFBDRO C[N@H+](CCc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000172154403 188784722 /nfs/dbraw/zinc/78/47/22/188784722.db2.gz NGXNJDHDVYAFQM-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000174308185 188891857 /nfs/dbraw/zinc/89/18/57/188891857.db2.gz YWMVELWTUNALCR-GFCCVEGCSA-N 1 0 283.397 2.572 20 5 CFBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272995019 192012364 /nfs/dbraw/zinc/01/23/64/192012364.db2.gz QMTAKHHXIXTEDL-NSHDSACASA-N 1 0 261.325 2.657 20 5 CFBDRO COCCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738610 198752916 /nfs/dbraw/zinc/75/29/16/198752916.db2.gz NKVQAUXXDSIEIQ-LLVKDONJSA-N 1 0 281.356 2.644 20 5 CFBDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000567871007 290501497 /nfs/dbraw/zinc/50/14/97/290501497.db2.gz GNMXRUPIBPGNBW-KRWDZBQOSA-N 1 0 297.358 2.653 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294833938 199203902 /nfs/dbraw/zinc/20/39/02/199203902.db2.gz RIINMPHLXULQHU-JQWIXIFHSA-N 1 0 261.325 2.936 20 5 CFBDRO Cc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422560807 237103002 /nfs/dbraw/zinc/10/30/02/237103002.db2.gz HQOKBVRUZXQMIH-IPYPFGDCSA-N 1 0 291.395 2.708 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC3(CC[NH2+]3)CC2)c(Cl)c1 ZINC000422558464 237104275 /nfs/dbraw/zinc/10/42/75/237104275.db2.gz ARFIQOZDJYOCDR-UHFFFAOYSA-N 1 0 295.770 2.576 20 5 CFBDRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297227329 200120045 /nfs/dbraw/zinc/12/00/45/200120045.db2.gz HQEIBXRZFVTWOQ-QMMMGPOBSA-N 1 0 273.283 2.873 20 5 CFBDRO Cc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000422921088 237349659 /nfs/dbraw/zinc/34/96/59/237349659.db2.gz OTNZLHVMATYWFA-YXQSOJMXSA-N 1 0 289.379 2.837 20 5 CFBDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000422951743 237382944 /nfs/dbraw/zinc/38/29/44/237382944.db2.gz ZZUHBMTXDJMMMM-BBRMVZONSA-N 1 0 299.374 2.643 20 5 CFBDRO COC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000297482162 200205870 /nfs/dbraw/zinc/20/58/70/200205870.db2.gz ZIGLFBHZRSJNAP-NSHDSACASA-N 1 0 293.367 2.787 20 5 CFBDRO CCOC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000298279455 200381440 /nfs/dbraw/zinc/38/14/40/200381440.db2.gz OHSVCXOLVZPLJP-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000298462971 200437940 /nfs/dbraw/zinc/43/79/40/200437940.db2.gz RRWNJZCBTXAUEB-UHFFFAOYSA-N 1 0 298.346 2.764 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179396283 189191045 /nfs/dbraw/zinc/19/10/45/189191045.db2.gz IOHZKRWTMUXFLD-LBPRGKRZSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[NH+](CC)CCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000299643163 200817469 /nfs/dbraw/zinc/81/74/69/200817469.db2.gz KNAYPOJNMXFMDV-UHFFFAOYSA-N 1 0 299.396 2.508 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)CC1CC[NH+](C)CC1 ZINC000301448577 201013049 /nfs/dbraw/zinc/01/30/49/201013049.db2.gz RJKIZWRIBOMTCJ-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000301622495 201102566 /nfs/dbraw/zinc/10/25/66/201102566.db2.gz DUVGRFCBUDHTQG-NSHDSACASA-N 1 0 265.357 2.983 20 5 CFBDRO Cc1nc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301653871 201119626 /nfs/dbraw/zinc/11/96/26/201119626.db2.gz RIZWVSLFJZDNPQ-RYUDHWBXSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183380693 189357313 /nfs/dbraw/zinc/35/73/13/189357313.db2.gz UGHYHOOGSJKEQO-NSHDSACASA-N 1 0 288.351 2.796 20 5 CFBDRO COCCC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301916583 201260575 /nfs/dbraw/zinc/26/05/75/201260575.db2.gz ABDPHQMNFORSJH-UHFFFAOYSA-N 1 0 299.396 2.569 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000301996809 201291906 /nfs/dbraw/zinc/29/19/06/201291906.db2.gz HTFIEYVAYCMEGD-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186496855 189441160 /nfs/dbraw/zinc/44/11/60/189441160.db2.gz TXMRDOQMDVPFLE-LNMOPNHASA-N 1 0 292.379 2.833 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426526522 239236242 /nfs/dbraw/zinc/23/62/42/239236242.db2.gz TXBRJPSYSBQSSZ-WFASDCNBSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1cc(N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000302207712 201397858 /nfs/dbraw/zinc/39/78/58/201397858.db2.gz AMPUPHWSQFBTHL-UHFFFAOYSA-N 1 0 265.357 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C2CC2)n1 ZINC000433790117 240176946 /nfs/dbraw/zinc/17/69/46/240176946.db2.gz TZEBHKDHUWYSKZ-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC23CCC3)c1 ZINC000444780853 241193877 /nfs/dbraw/zinc/19/38/77/241193877.db2.gz GGENNEUQSPAMSD-UHFFFAOYSA-N 1 0 276.336 2.992 20 5 CFBDRO CO[C@@]1(C)C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000446961637 241343002 /nfs/dbraw/zinc/34/30/02/241343002.db2.gz BBBZXUBQPIBCGW-HOCLYGCPSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000449179141 241749394 /nfs/dbraw/zinc/74/93/94/241749394.db2.gz YYKBFRBNWCOLLU-PWSUYJOCSA-N 1 0 266.366 2.621 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449195321 241757598 /nfs/dbraw/zinc/75/75/98/241757598.db2.gz UVHLNRKBMHWJPX-BXUZGUMPSA-N 1 0 278.352 2.540 20 5 CFBDRO CCC[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449375659 241882428 /nfs/dbraw/zinc/88/24/28/241882428.db2.gz JEAHJFOQLMAWJV-OCCSQVGLSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC[C@H]1C ZINC000449322717 241845942 /nfs/dbraw/zinc/84/59/42/241845942.db2.gz PZIDBJJICIPVCP-UMVBOHGHSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449432742 241931729 /nfs/dbraw/zinc/93/17/29/241931729.db2.gz IXRFMFDOBGVOPT-OLZOCXBDSA-N 1 0 280.368 2.667 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688878 242108781 /nfs/dbraw/zinc/10/87/81/242108781.db2.gz WQKAINOIGQATSD-MRXNPFEDSA-N 1 0 290.363 2.906 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000449706251 242113785 /nfs/dbraw/zinc/11/37/85/242113785.db2.gz MTHIYUJIQZUZHL-UKRRQHHQSA-N 1 0 292.379 2.969 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449758386 242141071 /nfs/dbraw/zinc/14/10/71/242141071.db2.gz GMJZKNKSQANMNH-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO COC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000275906853 193159456 /nfs/dbraw/zinc/15/94/56/193159456.db2.gz TYCXCLQPLZNLSU-OAHLLOKOSA-N 1 0 292.379 2.932 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000452029511 243016369 /nfs/dbraw/zinc/01/63/69/243016369.db2.gz JRZIBFIBWNVNCF-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000452035202 243017580 /nfs/dbraw/zinc/01/75/80/243017580.db2.gz GLKCTMBGXCTQEM-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275974468 193178234 /nfs/dbraw/zinc/17/82/34/193178234.db2.gz MAJXFSABONEWND-ZKKXHLJNSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000452064627 243031595 /nfs/dbraw/zinc/03/15/95/243031595.db2.gz GPFIYBMPWPICOX-FRRDWIJNSA-N 1 0 280.372 2.596 20 5 CFBDRO CC(C)(C)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452070678 243033090 /nfs/dbraw/zinc/03/30/90/243033090.db2.gz GLQGMFUUYVNWTL-GFCCVEGCSA-N 1 0 280.372 2.549 20 5 CFBDRO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453061373 243383405 /nfs/dbraw/zinc/38/34/05/243383405.db2.gz SQTLZQDNLHMVKK-SRVKXCTJSA-N 1 0 266.345 2.663 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C(C)(C)C ZINC000453197434 243449130 /nfs/dbraw/zinc/44/91/30/243449130.db2.gz TWQOSAZSCOJAPD-DOMZBBRYSA-N 1 0 294.395 2.913 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330691289 203120649 /nfs/dbraw/zinc/12/06/49/203120649.db2.gz BCJICWUEUQNCJX-GJZGRUSLSA-N 1 0 292.379 2.824 20 5 CFBDRO C[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330690217 203120660 /nfs/dbraw/zinc/12/06/60/203120660.db2.gz AMXPXIAZCNYRDG-CHWSQXEVSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920651 203389615 /nfs/dbraw/zinc/38/96/15/203389615.db2.gz ZUJSQCKYIRPBSA-GXTWGEPZSA-N 1 0 278.352 2.578 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000276727859 193442464 /nfs/dbraw/zinc/44/24/64/193442464.db2.gz QLFQITVCGKMBEP-AWEZNQCLSA-N 1 0 284.331 2.885 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cn[nH]c2)C2CC2)c1 ZINC000459356596 245154319 /nfs/dbraw/zinc/15/43/19/245154319.db2.gz YFNRSAFZXDAWAO-UHFFFAOYSA-N 1 0 286.335 2.525 20 5 CFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000459676293 245268036 /nfs/dbraw/zinc/26/80/36/245268036.db2.gz NNNVBVYUFIZOQW-OAHLLOKOSA-N 1 0 278.352 2.986 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000459758304 245308346 /nfs/dbraw/zinc/30/83/46/245308346.db2.gz LNJNZQWMOKQCJL-UONOGXRCSA-N 1 0 294.326 2.781 20 5 CFBDRO COc1cc(NC[C@@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000234916523 189825538 /nfs/dbraw/zinc/82/55/38/189825538.db2.gz DHSPHXYOQYZXSM-AWEZNQCLSA-N 1 0 293.367 2.794 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092034 372228345 /nfs/dbraw/zinc/22/83/45/372228345.db2.gz VFWBSNOHTSHATJ-SWLSCSKDSA-N 1 0 277.368 2.730 20 5 CFBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037126315 372651910 /nfs/dbraw/zinc/65/19/10/372651910.db2.gz SOZFUYBHYNAPOD-RYUDHWBXSA-N 1 0 293.367 2.502 20 5 CFBDRO CCC[C@H]([NH2+]CCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751783 372698297 /nfs/dbraw/zinc/69/82/97/372698297.db2.gz FJDTZLIRYGKQJE-AWEZNQCLSA-N 1 0 293.367 2.504 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775008 372786571 /nfs/dbraw/zinc/78/65/71/372786571.db2.gz FVMUVMXUHDTTNC-TZMCWYRMSA-N 1 0 280.368 2.961 20 5 CFBDRO CCC[C@H]([NH2+]Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000041159028 372821458 /nfs/dbraw/zinc/82/14/58/372821458.db2.gz OUMFZNVBFXLETQ-HNNXBMFYSA-N 1 0 288.351 2.959 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045657205 373025563 /nfs/dbraw/zinc/02/55/63/373025563.db2.gz CHYWIGIRCZKKML-WDEREUQCSA-N 1 0 252.314 2.528 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000047873373 373124652 /nfs/dbraw/zinc/12/46/52/373124652.db2.gz UYYRKZDRMUBQGK-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@H](CC[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963703 373337388 /nfs/dbraw/zinc/33/73/88/373337388.db2.gz ACMDOUISJNANHA-SNVBAGLBSA-N 1 0 285.775 2.678 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963568 373337463 /nfs/dbraw/zinc/33/74/63/373337463.db2.gz LIBMQCMSHKPJND-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO C[N@@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963766 373337848 /nfs/dbraw/zinc/33/78/48/373337848.db2.gz QEQIRVJHPFYMEN-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCOCC2)c(Cl)c1 ZINC000049963419 373338140 /nfs/dbraw/zinc/33/81/40/373338140.db2.gz OXAUDGBOLNSZRF-UHFFFAOYSA-N 1 0 270.716 2.517 20 5 CFBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000051449034 373396836 /nfs/dbraw/zinc/39/68/36/373396836.db2.gz GEVSHIFRZIRNQT-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000053184859 373466854 /nfs/dbraw/zinc/46/68/54/373466854.db2.gz XRHYCSLRSJILAK-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000053184888 373466967 /nfs/dbraw/zinc/46/69/67/373466967.db2.gz MHUVCNHNXQROLJ-NSHDSACASA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000053237727 373470991 /nfs/dbraw/zinc/47/09/91/373470991.db2.gz MXZKGMQFJBVQNO-ZDUSSCGKSA-N 1 0 289.379 2.683 20 5 CFBDRO CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417567 383693645 /nfs/dbraw/zinc/69/36/45/383693645.db2.gz RRRUFWMCACTAMP-IUODEOHRSA-N 1 0 289.379 2.514 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072859924 374294505 /nfs/dbraw/zinc/29/45/05/374294505.db2.gz VKUKQKJWRFFECO-AWEZNQCLSA-N 1 0 291.395 2.677 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076002199 374518057 /nfs/dbraw/zinc/51/80/57/374518057.db2.gz WHPKWUNISISEMH-HNNXBMFYSA-N 1 0 291.395 2.759 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076052678 374524273 /nfs/dbraw/zinc/52/42/73/374524273.db2.gz FFXBJQIAOVNNKU-HNNXBMFYSA-N 1 0 277.368 2.511 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079712685 374625536 /nfs/dbraw/zinc/62/55/36/374625536.db2.gz UXJPVOBIUZDVSQ-JQWIXIFHSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000079737241 374628373 /nfs/dbraw/zinc/62/83/73/374628373.db2.gz DTLCVPSQHGEJDE-JTQLQIEISA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080306160 374651128 /nfs/dbraw/zinc/65/11/28/374651128.db2.gz IJRCHNMOTLICIR-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCCC3)co2)cc1 ZINC000089883442 374962709 /nfs/dbraw/zinc/96/27/09/374962709.db2.gz VLNLBTQEZIJHEW-UHFFFAOYSA-N 1 0 273.292 2.846 20 5 CFBDRO CC(C)=CCC[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539105 375021722 /nfs/dbraw/zinc/02/17/22/375021722.db2.gz BRUUXOHPXMJCSR-GFCCVEGCSA-N 1 0 266.345 2.516 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392407 375105625 /nfs/dbraw/zinc/10/56/25/375105625.db2.gz IYWUUKRWTTZOTF-KGLIPLIRSA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000093821921 375316822 /nfs/dbraw/zinc/31/68/22/375316822.db2.gz NAWAEEIMMKRRQF-CQSZACIVSA-N 1 0 280.368 2.742 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000093821920 375317170 /nfs/dbraw/zinc/31/71/70/375317170.db2.gz NAWAEEIMMKRRQF-AWEZNQCLSA-N 1 0 280.368 2.742 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000093839727 375319198 /nfs/dbraw/zinc/31/91/98/375319198.db2.gz YNCCAVMSIWKZJZ-DIECRNLCSA-N 1 0 276.336 2.576 20 5 CFBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)C ZINC000094774595 375377878 /nfs/dbraw/zinc/37/78/78/375377878.db2.gz DVHYWHATCRHMMD-UHFFFAOYSA-N 1 0 284.331 2.838 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797560 375379141 /nfs/dbraw/zinc/37/91/41/375379141.db2.gz NJAQPFHQDLIDPU-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102418952 375674338 /nfs/dbraw/zinc/67/43/38/375674338.db2.gz IGSYXXFIEWBYMZ-LLVKDONJSA-N 1 0 290.319 2.979 20 5 CFBDRO C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102418862 375675282 /nfs/dbraw/zinc/67/52/82/375675282.db2.gz QHVDYPUOSKSQSK-JTQLQIEISA-N 1 0 292.360 2.794 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000112567432 375933229 /nfs/dbraw/zinc/93/32/29/375933229.db2.gz UCXBCPIKOZYYLA-UHFFFAOYSA-N 1 0 280.368 2.825 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000112614007 375937854 /nfs/dbraw/zinc/93/78/54/375937854.db2.gz AABJQTOMYWMWCN-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000119664419 376448664 /nfs/dbraw/zinc/44/86/64/376448664.db2.gz KDWFCQVTPHVSIY-FRRDWIJNSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119902076 376501242 /nfs/dbraw/zinc/50/12/42/376501242.db2.gz WUXYDRQDXPDQOJ-LBPRGKRZSA-N 1 0 266.366 2.841 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000120135741 376554508 /nfs/dbraw/zinc/55/45/08/376554508.db2.gz CRCLLFQOKACFNT-VXGBXAGGSA-N 1 0 291.351 2.715 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000120028520 376532033 /nfs/dbraw/zinc/53/20/33/376532033.db2.gz HXIZKLNBEGVXGG-LLVKDONJSA-N 1 0 252.339 2.532 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCSC2)cs1 ZINC000129242308 377401835 /nfs/dbraw/zinc/40/18/35/377401835.db2.gz ZTZCDLNNLHETQM-VIFPVBQESA-N 1 0 258.368 2.642 20 5 CFBDRO CC(C)(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130163213 377516613 /nfs/dbraw/zinc/51/66/13/377516613.db2.gz DSMUKQFGRDODBH-JSGCOSHPSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130990070 377641310 /nfs/dbraw/zinc/64/13/10/377641310.db2.gz BMMVZLOOTSGDJV-AWEZNQCLSA-N 1 0 274.324 2.532 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000131084830 377654218 /nfs/dbraw/zinc/65/42/18/377654218.db2.gz CVOUJDQDKDAUOT-NEPJUHHUSA-N 1 0 277.368 2.728 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000131100987 377658726 /nfs/dbraw/zinc/65/87/26/377658726.db2.gz JVSOUMKDDIXTCU-UONOGXRCSA-N 1 0 266.341 2.797 20 5 CFBDRO C[NH+]1CCC(CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000133910714 377967008 /nfs/dbraw/zinc/96/70/08/377967008.db2.gz CMSJXROASBAZNQ-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO COc1cccc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000134901321 378060221 /nfs/dbraw/zinc/06/02/21/378060221.db2.gz DXVKVAZZPZPWPK-UHFFFAOYSA-N 1 0 281.356 2.603 20 5 CFBDRO CSC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135467694 378136534 /nfs/dbraw/zinc/13/65/34/378136534.db2.gz SYQHGJNFFQRCKZ-UWVGGRQHSA-N 1 0 254.355 2.997 20 5 CFBDRO CSC[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000135469161 378136743 /nfs/dbraw/zinc/13/67/43/378136743.db2.gz IFTPZSXBUZHARM-CYBMUJFWSA-N 1 0 296.392 2.801 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000135141047 378089886 /nfs/dbraw/zinc/08/98/86/378089886.db2.gz BEMDRPHFZRJINM-MNOVXSKESA-N 1 0 293.367 2.549 20 5 CFBDRO COCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241139 378104018 /nfs/dbraw/zinc/10/40/18/378104018.db2.gz IBDPIVUJFFQQSG-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136807227 378211111 /nfs/dbraw/zinc/21/11/11/378211111.db2.gz CUVSNGIVJMIVNB-CQDKDKBSSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151898411 378371131 /nfs/dbraw/zinc/37/11/31/378371131.db2.gz JSJUGDXDQXEJME-WFASDCNBSA-N 1 0 292.379 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CCO ZINC000151919753 378372263 /nfs/dbraw/zinc/37/22/63/378372263.db2.gz RICKDVIGKSRVHX-ZYHUDNBSSA-N 1 0 266.341 2.572 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCCO1 ZINC000152927774 378459778 /nfs/dbraw/zinc/45/97/78/378459778.db2.gz MQRMSEMJYGMQDX-HNNXBMFYSA-N 1 0 294.351 2.652 20 5 CFBDRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000152943518 378461142 /nfs/dbraw/zinc/46/11/42/378461142.db2.gz UXUNQZQHFYIJJJ-SZTZYQKNSA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000153931007 378524463 /nfs/dbraw/zinc/52/44/63/378524463.db2.gz LXNGJPPMWDMXLH-WPRPVWTQSA-N 1 0 296.758 2.680 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153945030 378526105 /nfs/dbraw/zinc/52/61/05/378526105.db2.gz LELIKZPJHGASRG-OAHLLOKOSA-N 1 0 276.336 2.516 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)CC)cc1[N+](=O)[O-] ZINC000153266424 378482578 /nfs/dbraw/zinc/48/25/78/378482578.db2.gz FKUGOMFEMLRZMW-LBPRGKRZSA-N 1 0 295.383 2.596 20 5 CFBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330368046 378537298 /nfs/dbraw/zinc/53/72/98/378537298.db2.gz KACUSLSIYVTRMW-GXSJLCMTSA-N 1 0 295.314 2.870 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000330395690 378545440 /nfs/dbraw/zinc/54/54/40/378545440.db2.gz FGTKULXOFARTPH-JQWIXIFHSA-N 1 0 291.351 2.620 20 5 CFBDRO CC[C@@]1(C)COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000330544097 378581879 /nfs/dbraw/zinc/58/18/79/378581879.db2.gz YZNDJVXXWSOIIN-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO CC[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089228 378631371 /nfs/dbraw/zinc/63/13/71/378631371.db2.gz UNRTZRYDVKGHOW-WFASDCNBSA-N 1 0 291.395 2.723 20 5 CFBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000330971547 378607327 /nfs/dbraw/zinc/60/73/27/378607327.db2.gz HDXFPYKZFNREMG-LBPRGKRZSA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)c1ccccc1[N+](=O)[O-] ZINC000331017627 378616582 /nfs/dbraw/zinc/61/65/82/378616582.db2.gz YVDWCYDRBXWYIF-NILFDRSVSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000331270798 378661272 /nfs/dbraw/zinc/66/12/72/378661272.db2.gz ATQRGEROYZSITG-DETPVDSQSA-N 1 0 292.379 2.885 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331499471 378697307 /nfs/dbraw/zinc/69/73/07/378697307.db2.gz NSAYKZHCVZVETN-SNVBAGLBSA-N 1 0 274.324 2.846 20 5 CFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295223 378665584 /nfs/dbraw/zinc/66/55/84/378665584.db2.gz SGRCUQQRGYXSGU-TYNCELHUSA-N 1 0 278.352 2.576 20 5 CFBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331319989 378669108 /nfs/dbraw/zinc/66/91/08/378669108.db2.gz BRMXLZJIADMCQZ-NSHDSACASA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200911 378649054 /nfs/dbraw/zinc/64/90/54/378649054.db2.gz VIBPWTIPVDDWLS-JSGCOSHPSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332297609 378744363 /nfs/dbraw/zinc/74/43/63/378744363.db2.gz URWJKGTYWIZFGH-VXGBXAGGSA-N 1 0 264.325 2.624 20 5 CFBDRO CCOC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000159282573 378699651 /nfs/dbraw/zinc/69/96/51/378699651.db2.gz JXHRJPBXGMLOOK-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO CC1(C)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000160467173 378774171 /nfs/dbraw/zinc/77/41/71/378774171.db2.gz UYVYRDOSXFHUBR-SNVBAGLBSA-N 1 0 270.354 2.704 20 5 CFBDRO CCC(CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278555923 194041801 /nfs/dbraw/zinc/04/18/01/194041801.db2.gz AIQCQGIVLUPFCI-UHFFFAOYSA-N 1 0 262.313 2.749 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166795266 379062552 /nfs/dbraw/zinc/06/25/52/379062552.db2.gz ZEKFAIZQRUAPQI-OLZOCXBDSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166795047 379063160 /nfs/dbraw/zinc/06/31/60/379063160.db2.gz ZEKFAIZQRUAPQI-STQMWFEESA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1cc(N[C@H](C)[C@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167382105 379071019 /nfs/dbraw/zinc/07/10/19/379071019.db2.gz DOQHCIJJYIRPFC-MWLCHTKSSA-N 1 0 289.335 2.880 20 5 CFBDRO Cc1c(C[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000170766143 379151393 /nfs/dbraw/zinc/15/13/93/379151393.db2.gz YUYLJAGZAJHBEJ-LLVKDONJSA-N 1 0 264.325 2.514 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC3(CCC3)C2)cs1 ZINC000278771851 194148295 /nfs/dbraw/zinc/14/82/95/194148295.db2.gz YGPZYZUDGUVSQX-UHFFFAOYSA-N 1 0 296.392 2.689 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451911134 383736732 /nfs/dbraw/zinc/73/67/32/383736732.db2.gz ZJICGOYTVPELIE-INIZCTEOSA-N 1 0 290.363 2.906 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCC1CCC1 ZINC000571895025 383737669 /nfs/dbraw/zinc/73/76/69/383737669.db2.gz OWLHMRJAWOOBBZ-HNNXBMFYSA-N 1 0 290.363 2.988 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279002168 194245781 /nfs/dbraw/zinc/24/57/81/194245781.db2.gz FZCLKMSNPZAJGI-CQSZACIVSA-N 1 0 278.352 2.679 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432344548 383739108 /nfs/dbraw/zinc/73/91/08/383739108.db2.gz DIOJEZRCCKOGPX-UHFFFAOYSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173440754 379740701 /nfs/dbraw/zinc/74/07/01/379740701.db2.gz UGSIZYIJCIQCJJ-NSHDSACASA-N 1 0 294.351 2.977 20 5 CFBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000174553063 379907421 /nfs/dbraw/zinc/90/74/21/379907421.db2.gz BHUKLXXDULEMPD-SECBINFHSA-N 1 0 272.370 2.950 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000174956871 379968208 /nfs/dbraw/zinc/96/82/08/379968208.db2.gz VSZIPNVWGFQLRR-LBPRGKRZSA-N 1 0 297.424 2.820 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174864226 379953766 /nfs/dbraw/zinc/95/37/66/379953766.db2.gz QMGREWUMNFHEDJ-CYBMUJFWSA-N 1 0 280.372 2.549 20 5 CFBDRO CC1CCC([N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000176212132 380196227 /nfs/dbraw/zinc/19/62/27/380196227.db2.gz NXESXCCQQMQIPK-UHFFFAOYSA-N 1 0 292.383 2.834 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178320693 380436555 /nfs/dbraw/zinc/43/65/55/380436555.db2.gz DBCSDQYFHIASTQ-DCDXPUDHSA-N 1 0 290.363 2.825 20 5 CFBDRO COCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179972125 380605658 /nfs/dbraw/zinc/60/56/58/380605658.db2.gz TXRYINJKDCWABV-MRXNPFEDSA-N 1 0 286.331 2.920 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336807060 380664233 /nfs/dbraw/zinc/66/42/33/380664233.db2.gz FQCJIAFUECSDTH-JOYOIKCWSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CCOCC1 ZINC000336808971 380668637 /nfs/dbraw/zinc/66/86/37/380668637.db2.gz DHEANXSKULLFEA-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000336809475 380669325 /nfs/dbraw/zinc/66/93/25/380669325.db2.gz VNHJHIYKAXCNAK-LLVKDONJSA-N 1 0 266.341 2.806 20 5 CFBDRO Cc1cc(NCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000336813025 380673555 /nfs/dbraw/zinc/67/35/55/380673555.db2.gz BMOKMKYNEUQNLP-UHFFFAOYSA-N 1 0 267.304 2.550 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000279165746 194313759 /nfs/dbraw/zinc/31/37/59/194313759.db2.gz UJCLDQNRQUSSEC-NWDGAFQWSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000279206588 194332300 /nfs/dbraw/zinc/33/23/00/194332300.db2.gz LUFXLIJDNXSJOC-RYUDHWBXSA-N 1 0 291.351 2.572 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000279257530 194355287 /nfs/dbraw/zinc/35/52/87/194355287.db2.gz HSJTVDXBCVYSTE-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000181837978 380909805 /nfs/dbraw/zinc/90/98/05/380909805.db2.gz SORNKVCVJIZYCY-RYUDHWBXSA-N 1 0 292.335 2.507 20 5 CFBDRO CC(C)n1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000341336220 380944699 /nfs/dbraw/zinc/94/46/99/380944699.db2.gz SGSTZUANDVEZGC-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)n1 ZINC000358687484 381016630 /nfs/dbraw/zinc/01/66/30/381016630.db2.gz TZMDYSWSYJXLQZ-UHFFFAOYSA-N 1 0 292.383 2.529 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(C3CC3)CC2)c1 ZINC000368335434 380994398 /nfs/dbraw/zinc/99/43/98/380994398.db2.gz IEKWXDPYLGTWIM-INIZCTEOSA-N 1 0 290.363 2.750 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CO)C1 ZINC000347343107 381082289 /nfs/dbraw/zinc/08/22/89/381082289.db2.gz QIGLMDCTXZQWQX-ODDCISTRSA-N 1 0 290.363 2.702 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCOCC1 ZINC000347363445 381098234 /nfs/dbraw/zinc/09/82/34/381098234.db2.gz QJMLBJIDAKYVHG-RAXLEYEMSA-N 1 0 276.336 2.720 20 5 CFBDRO CO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347375971 381107433 /nfs/dbraw/zinc/10/74/33/381107433.db2.gz SPVDGYWFENMQRB-INDWDQIESA-N 1 0 276.336 2.719 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000289730671 381126078 /nfs/dbraw/zinc/12/60/78/381126078.db2.gz ZQDPXUXDIQMFIA-ZDUSSCGKSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCN2CC=CCC2)cccc1[N+](=O)[O-] ZINC000359081870 381254572 /nfs/dbraw/zinc/25/45/72/381254572.db2.gz MPHKOWVDMCAYIM-AWEZNQCLSA-N 1 0 289.379 2.816 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000290009433 381259283 /nfs/dbraw/zinc/25/92/83/381259283.db2.gz ZNHPUEVZILXIFM-LSDHHAIUSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc([N+](=O)[O-])cc1 ZINC000296125323 381267492 /nfs/dbraw/zinc/26/74/92/381267492.db2.gz UBJOLRCFGVLCQZ-SMDDNHRTSA-N 1 0 262.309 2.938 20 5 CFBDRO CCC[N@H+](CC)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359103977 381268220 /nfs/dbraw/zinc/26/82/20/381268220.db2.gz UWILWLGPUUKLEL-UHFFFAOYSA-N 1 0 280.372 2.750 20 5 CFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000296039428 381225562 /nfs/dbraw/zinc/22/55/62/381225562.db2.gz MYZVXHTWMCRCHO-LBPRGKRZSA-N 1 0 296.342 2.717 20 5 CFBDRO CC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356199 381292195 /nfs/dbraw/zinc/29/21/95/381292195.db2.gz GDFZVAZMVKBJNJ-ZWNOBZJWSA-N 1 0 291.351 2.692 20 5 CFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000354477030 381294862 /nfs/dbraw/zinc/29/48/62/381294862.db2.gz MRKLRSWHPJEPLP-GJZGRUSLSA-N 1 0 292.379 2.932 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290095422 381297018 /nfs/dbraw/zinc/29/70/18/381297018.db2.gz HQDMPXMULBOLAO-OLZOCXBDSA-N 1 0 279.384 2.974 20 5 CFBDRO CC1(C)C[NH+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C1 ZINC000342364435 381297640 /nfs/dbraw/zinc/29/76/40/381297640.db2.gz DZLJWOJSKJBUDX-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000290182089 381333078 /nfs/dbraw/zinc/33/30/78/381333078.db2.gz ZGZJRXPHXQCDFP-NSHDSACASA-N 1 0 274.324 2.520 20 5 CFBDRO CC[NH+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347707639 381307620 /nfs/dbraw/zinc/30/76/20/381307620.db2.gz QVONQDDYTFAXIT-STQMWFEESA-N 1 0 277.368 2.509 20 5 CFBDRO Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000369691103 381315047 /nfs/dbraw/zinc/31/50/47/381315047.db2.gz CTLHWSCHDJHYTP-UHFFFAOYSA-N 1 0 290.323 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000370125244 381388902 /nfs/dbraw/zinc/38/89/02/381388902.db2.gz ZMZAJCUOWJVLOX-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000290458258 381437581 /nfs/dbraw/zinc/43/75/81/381437581.db2.gz MWNYIFGTJIXZBK-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO CC[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000347973587 381439343 /nfs/dbraw/zinc/43/93/43/381439343.db2.gz DGNLOSPOICDGFA-CYBMUJFWSA-N 1 0 297.330 2.793 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCOC2 ZINC000354774886 381447606 /nfs/dbraw/zinc/44/76/06/381447606.db2.gz SEWXSEUABRLDTM-NTUHNPAUSA-N 1 0 288.347 2.720 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296588843 381461585 /nfs/dbraw/zinc/46/15/85/381461585.db2.gz RSGWHUMSUIYUCW-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296645243 381487808 /nfs/dbraw/zinc/48/78/08/381487808.db2.gz YKHURAAJNZHZCH-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000296654791 381492805 /nfs/dbraw/zinc/49/28/05/381492805.db2.gz ZFQDTGIJSTXTDS-ZHAHWJHGSA-N 1 0 288.294 2.650 20 5 CFBDRO COc1cc(N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000290749365 381538085 /nfs/dbraw/zinc/53/80/85/381538085.db2.gz SJAKFFMVOJOYAM-LLVKDONJSA-N 1 0 281.356 2.744 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cs1 ZINC000355106806 381615037 /nfs/dbraw/zinc/61/50/37/381615037.db2.gz IOEHTXKMESESHT-NWDGAFQWSA-N 1 0 282.365 2.657 20 5 CFBDRO Cc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000371416386 381621428 /nfs/dbraw/zinc/62/14/28/381621428.db2.gz LVGKWJOTUWVFKR-HNNXBMFYSA-N 1 0 289.379 2.573 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371876135 381715258 /nfs/dbraw/zinc/71/52/58/381715258.db2.gz JQSUAPMVVKOKMI-MRXNPFEDSA-N 1 0 289.379 2.573 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CC1CC1 ZINC000348712412 381682180 /nfs/dbraw/zinc/68/21/80/381682180.db2.gz HYMCOLBIRKNPQS-UKTHLTGXSA-N 1 0 290.363 2.702 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000355232462 381693620 /nfs/dbraw/zinc/69/36/20/381693620.db2.gz CUEFURHLYWYSAU-GJZGRUSLSA-N 1 0 290.363 2.843 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000371768739 381697500 /nfs/dbraw/zinc/69/75/00/381697500.db2.gz BVKCVDKOJVMTCG-RBSFLKMASA-N 1 0 290.363 2.840 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)OC ZINC000291202825 381705811 /nfs/dbraw/zinc/70/58/11/381705811.db2.gz JXZAYKPDEIWAHV-JTQLQIEISA-N 1 0 270.304 2.591 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000360047434 381749567 /nfs/dbraw/zinc/74/95/67/381749567.db2.gz LHCMDKLLJLSVGN-NWDGAFQWSA-N 1 0 295.358 2.961 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000343500304 381754500 /nfs/dbraw/zinc/75/45/00/381754500.db2.gz WAISSRWQADGNDT-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1 ZINC000415070729 381755897 /nfs/dbraw/zinc/75/58/97/381755897.db2.gz VJSHRCTTXGZFDE-KRWDZBQOSA-N 1 0 299.374 2.947 20 5 CFBDRO C[C@H]1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343449844 381718266 /nfs/dbraw/zinc/71/82/66/381718266.db2.gz DNYBPROZJOONKM-GXSJLCMTSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@@H]1[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343456846 381723592 /nfs/dbraw/zinc/72/35/92/381723592.db2.gz JZRPTNZJJUWTDR-PSASIEDQSA-N 1 0 284.747 2.538 20 5 CFBDRO CN(CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000415109089 381787327 /nfs/dbraw/zinc/78/73/27/381787327.db2.gz NMXFMTBEXYDBKK-UHFFFAOYSA-N 1 0 291.376 2.714 20 5 CFBDRO CC/C=C\CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000343558599 381795914 /nfs/dbraw/zinc/79/59/14/381795914.db2.gz WWUDVJLPDDJYFF-ARJAWSKDSA-N 1 0 261.325 2.704 20 5 CFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000343604104 381834806 /nfs/dbraw/zinc/83/48/06/381834806.db2.gz IJVNZOSYFTWXDY-UHFFFAOYSA-N 1 0 297.358 2.915 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343606267 381836208 /nfs/dbraw/zinc/83/62/08/381836208.db2.gz PBHFFVIOTJTFLT-FZMZJTMJSA-N 1 0 293.367 2.636 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)C2CCCCC2)cs1 ZINC000292863216 381870755 /nfs/dbraw/zinc/87/07/55/381870755.db2.gz AUXDKTASKUGKRG-ZDUSSCGKSA-N 1 0 298.408 2.935 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292897267 381891856 /nfs/dbraw/zinc/89/18/56/381891856.db2.gz GIKMZUYMBOAWGZ-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293030651 381959054 /nfs/dbraw/zinc/95/90/54/381959054.db2.gz ABBGCCNDYQBCEE-HZMBPMFUSA-N 1 0 264.325 2.670 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000293160067 382012878 /nfs/dbraw/zinc/01/28/78/382012878.db2.gz VNWYKPPEJABUBZ-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO CCOCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417333874 382042939 /nfs/dbraw/zinc/04/29/39/382042939.db2.gz ZISPEJFDWJFGBK-OAHLLOKOSA-N 1 0 278.352 2.988 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC23CC3)n1 ZINC000417342683 382046605 /nfs/dbraw/zinc/04/66/05/382046605.db2.gz SKLPBBBQZOJWGF-YNEHKIRRSA-N 1 0 290.367 2.665 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000344018858 382070238 /nfs/dbraw/zinc/07/02/38/382070238.db2.gz MSZCBATWFJFPSL-RISCZKNCSA-N 1 0 264.325 2.672 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000350767972 382018706 /nfs/dbraw/zinc/01/87/06/382018706.db2.gz RGRQMBGNLHHMHY-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C1 ZINC000301186622 382102002 /nfs/dbraw/zinc/10/20/02/382102002.db2.gz PQNVBSBLYDLKPO-LBPRGKRZSA-N 1 0 292.383 2.912 20 5 CFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000351985010 382105240 /nfs/dbraw/zinc/10/52/40/382105240.db2.gz PUHCCROJYPLRQE-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301087802 382078765 /nfs/dbraw/zinc/07/87/65/382078765.db2.gz KDPSFVQVLBUZBD-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362454877 382079276 /nfs/dbraw/zinc/07/92/76/382079276.db2.gz RBAJXNZJXBTWCT-RISCZKNCSA-N 1 0 294.326 2.735 20 5 CFBDRO CC[C@@H](NC[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361103 382093967 /nfs/dbraw/zinc/09/39/67/382093967.db2.gz HKECBIQTIXBIFR-SWLSCSKDSA-N 1 0 279.384 2.833 20 5 CFBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000351971768 382099619 /nfs/dbraw/zinc/09/96/19/382099619.db2.gz WDYHTMZIIDSFEM-UHFFFAOYSA-N 1 0 296.367 2.708 20 5 CFBDRO CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971357 382099751 /nfs/dbraw/zinc/09/97/51/382099751.db2.gz RUFHJNFMHQOVSA-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000301269277 382130795 /nfs/dbraw/zinc/13/07/95/382130795.db2.gz NCMIHBHKJMBTOI-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000187366707 382164714 /nfs/dbraw/zinc/16/47/14/382164714.db2.gz AKVVSZADBMINIP-BNOWGMLFSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)c1 ZINC000376958711 382197502 /nfs/dbraw/zinc/19/75/02/382197502.db2.gz SEGBCJTVEROKMC-DYVFJYSZSA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)cs1 ZINC000362702249 382205071 /nfs/dbraw/zinc/20/50/71/382205071.db2.gz BNPSEQRZUDZMSQ-LLVKDONJSA-N 1 0 252.339 2.888 20 5 CFBDRO C[C@H](C[NH+]1CCCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000187564717 382211007 /nfs/dbraw/zinc/21/10/07/382211007.db2.gz LFYIQCHPBUUDQE-CQSZACIVSA-N 1 0 291.395 2.949 20 5 CFBDRO C[NH+](C)C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000419005111 382214807 /nfs/dbraw/zinc/21/48/07/382214807.db2.gz FPHPAABAKZWRJF-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293669438 382224246 /nfs/dbraw/zinc/22/42/46/382224246.db2.gz JINCZVNWPPQWIU-WBMJQRKESA-N 1 0 292.379 2.931 20 5 CFBDRO CN(CC[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302610127 382277156 /nfs/dbraw/zinc/27/71/56/382277156.db2.gz AKBVYJNQIQADQT-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000345149180 382286757 /nfs/dbraw/zinc/28/67/57/382286757.db2.gz NPYMQCPFZWVVCB-CHWSQXEVSA-N 1 0 277.368 2.822 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000345149184 382287552 /nfs/dbraw/zinc/28/75/52/382287552.db2.gz NPYMQCPFZWVVCB-QWHCGFSZSA-N 1 0 277.368 2.822 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419331674 382290105 /nfs/dbraw/zinc/29/01/05/382290105.db2.gz JNZUHRJJHFLOLW-UONOGXRCSA-N 1 0 294.399 2.938 20 5 CFBDRO Cc1cccc(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000302495504 382258303 /nfs/dbraw/zinc/25/83/03/382258303.db2.gz MBCYZILFNVSVLF-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000364327201 382307028 /nfs/dbraw/zinc/30/70/28/382307028.db2.gz IWOYKQTYPNQHRK-GFCCVEGCSA-N 1 0 290.323 2.530 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCCO1 ZINC000352417315 382320592 /nfs/dbraw/zinc/32/05/92/382320592.db2.gz OPTBVFBKUIJRKL-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cncn1C ZINC000352452027 382340212 /nfs/dbraw/zinc/34/02/12/382340212.db2.gz ACAPVURQTOZYCA-WUXMJOGZSA-N 1 0 286.335 2.521 20 5 CFBDRO CO[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000293833195 382297546 /nfs/dbraw/zinc/29/75/46/382297546.db2.gz XERJWZXUEYWNIU-HZPDHXFCSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO)o2)c(Cl)c1 ZINC000304251207 382380864 /nfs/dbraw/zinc/38/08/64/382380864.db2.gz XTZIWWHEPATDLS-UHFFFAOYSA-N 1 0 296.710 2.590 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000358038672 382421916 /nfs/dbraw/zinc/42/19/16/382421916.db2.gz OVSZGLBWJCPFJB-ZDUSSCGKSA-N 1 0 296.367 2.754 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000378346175 382441772 /nfs/dbraw/zinc/44/17/72/382441772.db2.gz PNGOQESJCWWBJK-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO CCOc1cccc(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420644978 382442310 /nfs/dbraw/zinc/44/23/10/382442310.db2.gz ZHIWMKQFCUXSIF-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000378162172 382409680 /nfs/dbraw/zinc/40/96/80/382409680.db2.gz RCQGOMUSRQCGCL-GFCCVEGCSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000352617475 382418486 /nfs/dbraw/zinc/41/84/86/382418486.db2.gz DFXOQWCCNOFHCB-DOMZBBRYSA-N 1 0 294.326 2.735 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000358188684 382494872 /nfs/dbraw/zinc/49/48/72/382494872.db2.gz LKJAXDKPUIBNON-SWLSCSKDSA-N 1 0 296.367 2.687 20 5 CFBDRO CCOC1CC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000188778454 382474780 /nfs/dbraw/zinc/47/47/80/382474780.db2.gz GXVYGEIZOGINIM-UHFFFAOYSA-N 1 0 284.381 2.951 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308386213 382475201 /nfs/dbraw/zinc/47/52/01/382475201.db2.gz DMJBJIDDGJWCIX-ZIAGYGMSSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000310785646 382497522 /nfs/dbraw/zinc/49/75/22/382497522.db2.gz AEBUGERSXYYPMP-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO CCC(C)(C)OCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000308759438 382486706 /nfs/dbraw/zinc/48/67/06/382486706.db2.gz XGSKGRJNHIFONO-UHFFFAOYSA-N 1 0 272.370 2.951 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOC(F)(F)F ZINC000353185398 382520819 /nfs/dbraw/zinc/52/08/19/382520819.db2.gz WDVKVHKZJUKFEU-HWKANZROSA-N 1 0 290.241 2.734 20 5 CFBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000381629015 382523144 /nfs/dbraw/zinc/52/31/44/382523144.db2.gz UXRUDJSQTWMOGP-CQSZACIVSA-N 1 0 282.315 2.592 20 5 CFBDRO CN(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000037562556 184540537 /nfs/dbraw/zinc/54/05/37/184540537.db2.gz ZSWXGZZKJBQYHT-NSHDSACASA-N 1 0 295.364 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ncccc3C2)cc1 ZINC000366377393 382500227 /nfs/dbraw/zinc/50/02/27/382500227.db2.gz MQTOSNIEFZAGMH-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000311130482 382500436 /nfs/dbraw/zinc/50/04/36/382500436.db2.gz ZUVKNLNMLUMGOJ-NSHDSACASA-N 1 0 251.330 2.735 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212135 382508181 /nfs/dbraw/zinc/50/81/81/382508181.db2.gz RRRDOASHQJVTBP-GJZGRUSLSA-N 1 0 296.342 2.859 20 5 CFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000421401546 382519806 /nfs/dbraw/zinc/51/98/06/382519806.db2.gz CPDHGGUMAHHRKI-KKTNHOPESA-N 1 0 289.379 2.634 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)O1 ZINC000384675290 382556266 /nfs/dbraw/zinc/55/62/66/382556266.db2.gz YXWLKNBREQYCIW-ZDMBXUJBSA-N 1 0 284.743 2.904 20 5 CFBDRO CC/C=C\C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000385146437 382566701 /nfs/dbraw/zinc/56/67/01/382566701.db2.gz JHPPHZWYLGMBAH-PLNGDYQASA-N 1 0 250.298 2.659 20 5 CFBDRO C[C@H]([N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)O ZINC000382804081 382535967 /nfs/dbraw/zinc/53/59/67/382535967.db2.gz VUGQARPYIUTFFT-VIFPVBQESA-N 1 0 286.759 2.839 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358375168 382593901 /nfs/dbraw/zinc/59/39/01/382593901.db2.gz PLQWHSBEGQLDNF-PSASIEDQSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])s1 ZINC000189680760 382634803 /nfs/dbraw/zinc/63/48/03/382634803.db2.gz DWMVSRHDXBEPLF-SNVBAGLBSA-N 1 0 284.385 2.728 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189617787 382630192 /nfs/dbraw/zinc/63/01/92/382630192.db2.gz WTZQTHVNIDFMPR-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826296 382578333 /nfs/dbraw/zinc/57/83/33/382578333.db2.gz SLXFPCHHWICFCF-YPMHNXCESA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833548 382642360 /nfs/dbraw/zinc/64/23/60/382642360.db2.gz VEUFLHGEWRXDRL-KCJUWKMLSA-N 1 0 292.257 2.559 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000189990533 382648922 /nfs/dbraw/zinc/64/89/22/382648922.db2.gz JSHCLDXXLWBXEY-KBPBESRZSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H]1CSCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190460715 382669325 /nfs/dbraw/zinc/66/93/25/382669325.db2.gz ZKYRPTOZVMSVOS-LBPRGKRZSA-N 1 0 296.392 2.659 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191832536 382702816 /nfs/dbraw/zinc/70/28/16/382702816.db2.gz MATNIRZQFKNCEY-SCRDCRAPSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000192528602 382709785 /nfs/dbraw/zinc/70/97/85/382709785.db2.gz QZKQPJTXRYZXDW-JTQLQIEISA-N 1 0 284.385 2.728 20 5 CFBDRO C[C@H](CCNc1ncc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000192528621 382709953 /nfs/dbraw/zinc/70/99/53/382709953.db2.gz QZKQPJTXRYZXDW-SNVBAGLBSA-N 1 0 284.385 2.728 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192870106 382713187 /nfs/dbraw/zinc/71/31/87/382713187.db2.gz QMCYEPZORVXPFR-GJZGRUSLSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCCCCO)cccc1[N+](=O)[O-] ZINC000192935557 382713733 /nfs/dbraw/zinc/71/37/33/382713733.db2.gz JDFPHVJPPWIECC-GFCCVEGCSA-N 1 0 266.341 2.716 20 5 CFBDRO COC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000193041398 382714959 /nfs/dbraw/zinc/71/49/59/382714959.db2.gz MKXBLSWINZFKKD-JKSUJKDBSA-N 1 0 290.363 2.987 20 5 CFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193113968 382715947 /nfs/dbraw/zinc/71/59/47/382715947.db2.gz GOSYJKSNOALAQK-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193300856 382718331 /nfs/dbraw/zinc/71/83/31/382718331.db2.gz KSFBXGKIDFNVIX-NHLIRNCOSA-N 1 0 290.363 2.889 20 5 CFBDRO CSC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000193650161 382722067 /nfs/dbraw/zinc/72/20/67/382722067.db2.gz XXBAMBSUDFGDLX-UHFFFAOYSA-N 1 0 266.366 2.970 20 5 CFBDRO CSC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000193653638 382722117 /nfs/dbraw/zinc/72/21/17/382722117.db2.gz KUVBKNQNMZQLLF-UHFFFAOYSA-N 1 0 258.368 2.642 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336830205 382725825 /nfs/dbraw/zinc/72/58/25/382725825.db2.gz FXPFZSWKXWGNNU-HUUCEWRRSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000219899364 382794571 /nfs/dbraw/zinc/79/45/71/382794571.db2.gz NRVPOHTTYOPBMT-YPMHNXCESA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)cs1 ZINC000337288064 382794610 /nfs/dbraw/zinc/79/46/10/382794610.db2.gz LJDKDAZZCWPELV-IUCAKERBSA-N 1 0 292.307 2.906 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000218120311 382789276 /nfs/dbraw/zinc/78/92/76/382789276.db2.gz MLODATIOQPKDCH-CABCVRRESA-N 1 0 289.379 2.620 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989577 382791427 /nfs/dbraw/zinc/79/14/27/382791427.db2.gz VXZCUKBHUNAFOJ-CYBMUJFWSA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1cccc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000220363023 382796011 /nfs/dbraw/zinc/79/60/11/382796011.db2.gz GEBJYNNBTPBDMC-CQSZACIVSA-N 1 0 289.379 2.559 20 5 CFBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000220594937 382796539 /nfs/dbraw/zinc/79/65/39/382796539.db2.gz VDXPCOWTUNVHQJ-ONGXEEELSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000220595013 382796558 /nfs/dbraw/zinc/79/65/58/382796558.db2.gz VDXPCOWTUNVHQJ-KOLCDFICSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000220595129 382796754 /nfs/dbraw/zinc/79/67/54/382796754.db2.gz VDXPCOWTUNVHQJ-MWLCHTKSSA-N 1 0 252.339 2.578 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)COC(C)C)cc1[N+](=O)[O-] ZINC000337332035 382803495 /nfs/dbraw/zinc/80/34/95/382803495.db2.gz HXDBKQSOEZVRPR-NSHDSACASA-N 1 0 282.340 2.507 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000223258112 382804681 /nfs/dbraw/zinc/80/46/81/382804681.db2.gz ZIWYLQLLASFHKY-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000337456969 382824197 /nfs/dbraw/zinc/82/41/97/382824197.db2.gz IIIFAQKZMVWRIZ-FZMZJTMJSA-N 1 0 264.325 2.752 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577200529 382851350 /nfs/dbraw/zinc/85/13/50/382851350.db2.gz ZOYUIDULLHAWMD-LBPRGKRZSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC000226560944 382830032 /nfs/dbraw/zinc/83/00/32/382830032.db2.gz PNWCAFBGAKLCDX-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227146166 382834382 /nfs/dbraw/zinc/83/43/82/382834382.db2.gz UZVKRSCWCNFHHV-MNOVXSKESA-N 1 0 296.758 2.682 20 5 CFBDRO CC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000576769955 382835606 /nfs/dbraw/zinc/83/56/06/382835606.db2.gz NRJSJFPKWGTZEL-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000227651204 382838942 /nfs/dbraw/zinc/83/89/42/382838942.db2.gz GHYFYUMGWCXUOE-QMMMGPOBSA-N 1 0 284.747 2.538 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227651098 382839004 /nfs/dbraw/zinc/83/90/04/382839004.db2.gz HVJUAFKVVQOECA-SECBINFHSA-N 1 0 286.763 2.785 20 5 CFBDRO CCC[C@H]([NH2+]C[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227713480 382840320 /nfs/dbraw/zinc/84/03/20/382840320.db2.gz XVMLCBZWXNQCQU-CABCVRRESA-N 1 0 296.367 2.687 20 5 CFBDRO CC[N@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000227889557 382841886 /nfs/dbraw/zinc/84/18/86/382841886.db2.gz WTGKYXRRGIWFFP-UHFFFAOYSA-N 1 0 285.294 2.769 20 5 CFBDRO CC[C@H]([NH2+]CCC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228028252 382843932 /nfs/dbraw/zinc/84/39/32/382843932.db2.gz BMBCFCFDGDZGON-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC2CCC2)cs1 ZINC000577333652 382855118 /nfs/dbraw/zinc/85/51/18/382855118.db2.gz LSVNCVVMSKFBKF-UHFFFAOYSA-N 1 0 270.354 2.563 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441345254 382909043 /nfs/dbraw/zinc/90/90/43/382909043.db2.gz GLQOOTRGLZPIJY-FZMZJTMJSA-N 1 0 294.351 2.603 20 5 CFBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000230222006 382857829 /nfs/dbraw/zinc/85/78/29/382857829.db2.gz PLCHQRJFYHTRDT-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO CC1(C)CCC[NH2+][C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000232992763 382870700 /nfs/dbraw/zinc/87/07/00/382870700.db2.gz UGVNWXBGHVCXEU-NSHDSACASA-N 1 0 298.774 2.833 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000533394706 382895611 /nfs/dbraw/zinc/89/56/11/382895611.db2.gz RZBKPUOTTAQLIO-UHFFFAOYSA-N 1 0 298.342 2.901 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000441208214 382900632 /nfs/dbraw/zinc/90/06/32/382900632.db2.gz RDKCZIJCWTULBQ-UHFFFAOYSA-N 1 0 278.352 2.842 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCOC1 ZINC000236851306 382923662 /nfs/dbraw/zinc/92/36/62/382923662.db2.gz DDFDCFOQMHMSKO-GFCCVEGCSA-N 1 0 294.351 2.510 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549041825 382997483 /nfs/dbraw/zinc/99/74/83/382997483.db2.gz XVRDMHVHBWFNAI-GDLCADMTSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@@H](C1CCCCC1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000338366347 383007278 /nfs/dbraw/zinc/00/72/78/383007278.db2.gz IOABQLRKRXIBFJ-LBPRGKRZSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000447815100 383011450 /nfs/dbraw/zinc/01/14/50/383011450.db2.gz BWMKLNNSFRGMNH-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000579662369 383038645 /nfs/dbraw/zinc/03/86/45/383038645.db2.gz OAVBXDQNLPULBA-STQMWFEESA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1c(CN[C@@H](C)c2c[nH+]ccc2N)cccc1[N+](=O)[O-] ZINC000423068069 383039301 /nfs/dbraw/zinc/03/93/01/383039301.db2.gz ATPXOMJQOBQMPY-NSHDSACASA-N 1 0 286.335 2.562 20 5 CFBDRO CCC[C@@H](CC)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579827550 383055917 /nfs/dbraw/zinc/05/59/17/383055917.db2.gz PJEYYODUAUXTHA-TZMCWYRMSA-N 1 0 296.367 2.503 20 5 CFBDRO Cc1ccc([C@H](C)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423358701 383062793 /nfs/dbraw/zinc/06/27/93/383062793.db2.gz JTSSAZYWZRRDQY-GXTWGEPZSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372723 383069796 /nfs/dbraw/zinc/06/97/96/383069796.db2.gz IPIIWINQKKAAGZ-LNSITVRQSA-N 1 0 277.368 2.776 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000554523281 383139598 /nfs/dbraw/zinc/13/95/98/383139598.db2.gz XTMOPEWHVBMQME-MFKMUULPSA-N 1 0 291.351 2.700 20 5 CFBDRO CCC[C@H](N[C@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448139 383099567 /nfs/dbraw/zinc/09/95/67/383099567.db2.gz PTTTVXYKVGLYCM-GYSYKLTISA-N 1 0 265.357 2.761 20 5 CFBDRO Cc1noc(C)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449096311 383173249 /nfs/dbraw/zinc/17/32/49/383173249.db2.gz GKLJRJQSPZZWBN-JTQLQIEISA-N 1 0 289.335 2.920 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269123 383191894 /nfs/dbraw/zinc/19/18/94/383191894.db2.gz LXCMXIRWGPYIJV-WOPDTQHZSA-N 1 0 266.341 2.539 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269120 383191951 /nfs/dbraw/zinc/19/19/51/383191951.db2.gz LXCMXIRWGPYIJV-GRYCIOLGSA-N 1 0 266.341 2.539 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CCC2)cc1 ZINC000518637827 383206349 /nfs/dbraw/zinc/20/63/49/383206349.db2.gz NXELPMFLPMSHTA-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000566777076 383209299 /nfs/dbraw/zinc/20/92/99/383209299.db2.gz FMTDRIIVRJIDBB-XHDPSFHLSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1F ZINC000339585911 383254775 /nfs/dbraw/zinc/25/47/75/383254775.db2.gz CVFAUUAIGLPLKB-CHWSQXEVSA-N 1 0 252.289 2.883 20 5 CFBDRO COC[C@@]1(C)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449394978 383260816 /nfs/dbraw/zinc/26/08/16/383260816.db2.gz OVRKHBXJCCXGJA-WRLNGNIRSA-N 1 0 290.363 2.966 20 5 CFBDRO CC1=CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000339625563 383266829 /nfs/dbraw/zinc/26/68/29/383266829.db2.gz KHVPNYQCXYXFID-UHFFFAOYSA-N 1 0 262.309 2.626 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)CO ZINC000449406873 383272632 /nfs/dbraw/zinc/27/26/32/383272632.db2.gz DCXMAHREWUYZKE-UKTHLTGXSA-N 1 0 292.379 2.996 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](C)F ZINC000339495154 383216068 /nfs/dbraw/zinc/21/60/68/383216068.db2.gz XRELBRIEDFIYQV-JTQLQIEISA-N 1 0 270.304 2.831 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCCC[C@H]1O ZINC000449331880 383222700 /nfs/dbraw/zinc/22/27/00/383222700.db2.gz PSUOBMBDHNUGCU-XNRPHZJLSA-N 1 0 292.379 2.809 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344130 383226186 /nfs/dbraw/zinc/22/61/86/383226186.db2.gz LENCPTMMABEBQJ-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000339519964 383229757 /nfs/dbraw/zinc/22/97/57/383229757.db2.gz WEXGHBYGLRDNAZ-OAHLLOKOSA-N 1 0 292.379 2.873 20 5 CFBDRO Cc1cc(N2CCC3(CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000567097697 383241300 /nfs/dbraw/zinc/24/13/00/383241300.db2.gz KMRQKNZZHWXORZ-UHFFFAOYSA-N 1 0 293.342 2.622 20 5 CFBDRO COc1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1[N+](=O)[O-] ZINC000339556708 383241657 /nfs/dbraw/zinc/24/16/57/383241657.db2.gz UCSRHRLPDNZSLF-UHFFFAOYSA-N 1 0 299.330 2.521 20 5 CFBDRO CC/C=C/C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449459642 383305986 /nfs/dbraw/zinc/30/59/86/383305986.db2.gz QRESMUWAWMBEKL-ITKZLYELSA-N 1 0 291.351 2.868 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252512984 383416397 /nfs/dbraw/zinc/41/63/97/383416397.db2.gz GMLKHWKHJUYTHL-NEPJUHHUSA-N 1 0 291.351 2.642 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(C)O ZINC000449725634 383362177 /nfs/dbraw/zinc/36/21/77/383362177.db2.gz OKJNRXHEJNAGEA-GFCCVEGCSA-N 1 0 294.395 2.913 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000253092355 383442750 /nfs/dbraw/zinc/44/27/50/383442750.db2.gz KVYNTQPJMTZVMY-BZUAXINKSA-N 1 0 290.363 2.720 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCF ZINC000527045364 383446821 /nfs/dbraw/zinc/44/68/21/383446821.db2.gz FYGMUCZYTQKADM-FLIBITNWSA-N 1 0 252.289 2.947 20 5 CFBDRO COC[C@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255437787 383482038 /nfs/dbraw/zinc/48/20/38/383482038.db2.gz ZZZVZQPQYYSZRY-VFFGBVLKSA-N 1 0 264.325 2.575 20 5 CFBDRO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000450543728 383454772 /nfs/dbraw/zinc/45/47/72/383454772.db2.gz ZMDBWLQLVAWWRH-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000340523470 383457475 /nfs/dbraw/zinc/45/74/75/383457475.db2.gz DPEAUTYQHDXGJS-LBPRGKRZSA-N 1 0 288.351 2.991 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569150903 383472152 /nfs/dbraw/zinc/47/21/52/383472152.db2.gz YJNDJJWIEPDONI-QWRGUYRKSA-N 1 0 291.351 2.632 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000525988921 383416908 /nfs/dbraw/zinc/41/69/08/383416908.db2.gz OAQHMNXFDAQPHC-UHFFFAOYSA-N 1 0 296.277 2.519 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252513083 383416890 /nfs/dbraw/zinc/41/68/90/383416890.db2.gz KCKYLUUMBNTAAQ-OLZOCXBDSA-N 1 0 291.351 2.642 20 5 CFBDRO CC(C)c1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000570216039 383582633 /nfs/dbraw/zinc/58/26/33/383582633.db2.gz MACALLGPQBHSSL-WDEREUQCSA-N 1 0 293.367 2.574 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000570429480 383604221 /nfs/dbraw/zinc/60/42/21/383604221.db2.gz IYDSGXIGDYFWDN-CQSZACIVSA-N 1 0 289.379 2.729 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000570540978 383612673 /nfs/dbraw/zinc/61/26/73/383612673.db2.gz DPNQVTMGTQVDTP-JTNHKYCSSA-N 1 0 264.325 2.608 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570988681 383654020 /nfs/dbraw/zinc/65/40/20/383654020.db2.gz ZWTUVZXVZWNQPZ-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451498187 383628317 /nfs/dbraw/zinc/62/83/17/383628317.db2.gz MXGNLQOJDJDGOF-OLZOCXBDSA-N 1 0 282.315 2.637 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451501644 383630085 /nfs/dbraw/zinc/63/00/85/383630085.db2.gz OTMNYMAPXFEJKA-QCZZGDTMSA-N 1 0 296.342 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264659510 383770053 /nfs/dbraw/zinc/77/00/53/383770053.db2.gz YKPZGAZXQXTBOJ-MRXNPFEDSA-N 1 0 289.379 2.655 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000280958424 195046988 /nfs/dbraw/zinc/04/69/88/195046988.db2.gz KFLUMPDDAHRPOV-CQSZACIVSA-N 1 0 289.379 2.816 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000531104383 383819338 /nfs/dbraw/zinc/81/93/38/383819338.db2.gz APFSWFPLBFXRBN-UHFFFAOYSA-N 1 0 284.743 2.859 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000530676122 383783640 /nfs/dbraw/zinc/78/36/40/383783640.db2.gz PECVZUFTVQPTMO-NWDGAFQWSA-N 1 0 293.367 2.888 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000264909489 383799716 /nfs/dbraw/zinc/79/97/16/383799716.db2.gz FANSBHCPVCMEMK-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1ccnc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000265164423 383849740 /nfs/dbraw/zinc/84/97/40/383849740.db2.gz FSLWOJKPADJTKP-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO C[C@H](Cc1ccoc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000573070260 383866322 /nfs/dbraw/zinc/86/63/22/383866322.db2.gz UNBUCKCFUQCCKN-GFCCVEGCSA-N 1 0 290.319 2.787 20 5 CFBDRO CO[C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000265782292 383999030 /nfs/dbraw/zinc/99/90/30/383999030.db2.gz OSIAUAFSIFXKQA-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO CO[C@H](C)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000265782286 383999128 /nfs/dbraw/zinc/99/91/28/383999128.db2.gz OSIAUAFSIFXKQA-SECBINFHSA-N 1 0 272.732 2.763 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265600341 383955532 /nfs/dbraw/zinc/95/55/32/383955532.db2.gz ZMUPNIRXVNOPRN-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266007624 384052332 /nfs/dbraw/zinc/05/23/32/384052332.db2.gz KYWCKOSWTDOQRR-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000532957765 384086274 /nfs/dbraw/zinc/08/62/74/384086274.db2.gz YNYJESFJOHSCCS-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266289134 384137214 /nfs/dbraw/zinc/13/72/14/384137214.db2.gz WDFWJOUYWPZEBQ-WDEREUQCSA-N 1 0 281.331 2.653 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000277120652 384206724 /nfs/dbraw/zinc/20/67/24/384206724.db2.gz HTZUXUIOHFNCLG-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264651704 285095793 /nfs/dbraw/zinc/09/57/93/285095793.db2.gz XFBYLHSVSPFVMP-CYBMUJFWSA-N 1 0 293.342 2.799 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266761211 384234689 /nfs/dbraw/zinc/23/46/89/384234689.db2.gz GQGJURMBGUWAAS-ZWNOBZJWSA-N 1 0 266.341 2.652 20 5 CFBDRO CCC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266780792 384237256 /nfs/dbraw/zinc/23/72/56/384237256.db2.gz ZSFDSLARMXIFHL-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000266682398 384220361 /nfs/dbraw/zinc/22/03/61/384220361.db2.gz AVFZBSXUMQNZTO-OLZOCXBDSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1c(CN2CCC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277266223 384249719 /nfs/dbraw/zinc/24/97/19/384249719.db2.gz RHMHFSDMXIBJBT-HNNXBMFYSA-N 1 0 291.395 2.819 20 5 CFBDRO C[NH+](C)[C@@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000267119449 384302140 /nfs/dbraw/zinc/30/21/40/384302140.db2.gz SYXLUTSMNVONKS-CYBMUJFWSA-N 1 0 299.371 2.583 20 5 CFBDRO CCOc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000277524451 384326862 /nfs/dbraw/zinc/32/68/62/384326862.db2.gz QZSQZQLGHOUWGG-YPMHNXCESA-N 1 0 294.351 2.508 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000277759744 384396678 /nfs/dbraw/zinc/39/66/78/384396678.db2.gz MDKAETVZCJRRQS-CYBMUJFWSA-N 1 0 284.381 2.783 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCO ZINC000279460182 384645448 /nfs/dbraw/zinc/64/54/48/384645448.db2.gz JAMUPFPBMGSYKC-LBPRGKRZSA-N 1 0 298.408 2.828 20 5 CFBDRO CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692319 384837429 /nfs/dbraw/zinc/83/74/29/384837429.db2.gz VMBJPYDLRAHVRZ-CABCVRRESA-N 1 0 278.352 2.749 20 5 CFBDRO CCC(C)(C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269664869 384826599 /nfs/dbraw/zinc/82/65/99/384826599.db2.gz RLUMMGUEENVUDK-ZDUSSCGKSA-N 1 0 266.341 2.749 20 5 CFBDRO CC[C@H](C)C[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683308 384833247 /nfs/dbraw/zinc/83/32/47/384833247.db2.gz YYPDKYJRFPBQTE-SWLSCSKDSA-N 1 0 280.368 2.996 20 5 CFBDRO CC(C)n1nccc1CNCc1ccccc1[N+](=O)[O-] ZINC000279974024 384835008 /nfs/dbraw/zinc/83/50/08/384835008.db2.gz PXPOBLYPXDKUHV-UHFFFAOYSA-N 1 0 274.324 2.662 20 5 CFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633916 384813940 /nfs/dbraw/zinc/81/39/40/384813940.db2.gz GNPMHJUVHXDUTN-SMDDNHRTSA-N 1 0 290.319 2.914 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843024 384879900 /nfs/dbraw/zinc/87/99/00/384879900.db2.gz RUHIHWLOOCOUFB-CMPLNLGQSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280265470 384949925 /nfs/dbraw/zinc/94/99/25/384949925.db2.gz YADZXVPRVXJDDS-IUODEOHRSA-N 1 0 278.352 2.893 20 5 CFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000280577805 385067745 /nfs/dbraw/zinc/06/77/45/385067745.db2.gz VYMIDUAHKBPWAQ-UHFFFAOYSA-N 1 0 292.335 2.560 20 5 CFBDRO CC1=CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280731861 385131860 /nfs/dbraw/zinc/13/18/60/385131860.db2.gz GYWCOUUVUJHMKR-UHFFFAOYSA-N 1 0 289.335 2.575 20 5 CFBDRO CN(CCC[NH+]1CCCC1)CCc1ccc([N+](=O)[O-])cc1 ZINC000281189821 385186890 /nfs/dbraw/zinc/18/68/90/385186890.db2.gz BQQTYQHIAWOCHT-UHFFFAOYSA-N 1 0 291.395 2.555 20 5 CFBDRO COc1ccc(OCC[NH2+][C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000282142865 385224305 /nfs/dbraw/zinc/22/43/05/385224305.db2.gz SAIZPKQAPWRNNT-YPMHNXCESA-N 1 0 294.351 2.760 20 5 CFBDRO CCC[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270815641 385234754 /nfs/dbraw/zinc/23/47/54/385234754.db2.gz XLHIUAURVTUTOI-UHFFFAOYSA-N 1 0 279.340 2.655 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000271004051 385298668 /nfs/dbraw/zinc/29/86/68/385298668.db2.gz GQDQBLRARJSJID-TYNCELHUSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1cccnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282502060 385328730 /nfs/dbraw/zinc/32/87/30/385328730.db2.gz QYWYUEFZXJRTLT-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2CCC2)CC1 ZINC000175477738 285163619 /nfs/dbraw/zinc/16/36/19/285163619.db2.gz NOEHZECSMVJROZ-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CO ZINC000271185890 385367715 /nfs/dbraw/zinc/36/77/15/385367715.db2.gz WPKGTHOVWWXUDZ-NWDGAFQWSA-N 1 0 298.408 2.684 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000272011138 385424665 /nfs/dbraw/zinc/42/46/65/385424665.db2.gz KMMOZDQYHRUAML-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000288984325 197206003 /nfs/dbraw/zinc/20/60/03/197206003.db2.gz ZNMKFMRFUFJALH-HNNXBMFYSA-N 1 0 296.342 2.718 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000282975164 385418806 /nfs/dbraw/zinc/41/88/06/385418806.db2.gz DCTLXWLHRSPFNV-PHIMTYICSA-N 1 0 264.300 2.822 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCO[C@H]1C1CC1 ZINC000283238694 385449026 /nfs/dbraw/zinc/44/90/26/385449026.db2.gz UPDGVDWTSKCREJ-GJZGRUSLSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(C)(C)O ZINC000272269086 385494308 /nfs/dbraw/zinc/49/43/08/385494308.db2.gz CVPVKGYANFMVDX-NSHDSACASA-N 1 0 266.341 2.667 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]2CCO[C@@H]21 ZINC000272318864 385509061 /nfs/dbraw/zinc/50/90/61/385509061.db2.gz PZKLVJIRGKPGGZ-BNOWGMLFSA-N 1 0 294.326 2.637 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000286188625 385568805 /nfs/dbraw/zinc/56/88/05/385568805.db2.gz AHJHWJGYBFUTLM-PBWFPOADSA-N 1 0 289.379 2.965 20 5 CFBDRO CC(=O)c1cc(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286210675 385572559 /nfs/dbraw/zinc/57/25/59/385572559.db2.gz KVLALQVXBKVVKO-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO CO[C@H](C)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272866510 385635942 /nfs/dbraw/zinc/63/59/42/385635942.db2.gz YPKMLSJKUSIKNF-GHMZBOCLSA-N 1 0 252.314 2.623 20 5 CFBDRO CC(C)OC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000275150211 385945468 /nfs/dbraw/zinc/94/54/68/385945468.db2.gz RVSTXIWKKWZEPW-UHFFFAOYSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(=O)[C@@H](C)C1 ZINC000275232514 385961351 /nfs/dbraw/zinc/96/13/51/385961351.db2.gz NEPXHMGQDKURSY-QWRGUYRKSA-N 1 0 262.309 2.567 20 5 CFBDRO CCOc1cc(C[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000276888666 386070388 /nfs/dbraw/zinc/07/03/88/386070388.db2.gz JSVYYUJLDUFSBK-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO CO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000425451314 533191507 /nfs/dbraw/zinc/19/15/07/533191507.db2.gz WUVLJTRZHVGCPL-CQSZACIVSA-N 1 0 278.352 2.845 20 5 CFBDRO COCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000151197693 533209136 /nfs/dbraw/zinc/20/91/36/533209136.db2.gz GZAWYSMTEZGTRO-UHFFFAOYSA-N 1 0 270.354 2.563 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000094721720 184846154 /nfs/dbraw/zinc/84/61/54/184846154.db2.gz NPFAGLOXLZXPBM-LLVKDONJSA-N 1 0 264.325 2.590 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094941717 184898150 /nfs/dbraw/zinc/89/81/50/184898150.db2.gz HYOZCTIRYUGJEI-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281703269 195345238 /nfs/dbraw/zinc/34/52/38/195345238.db2.gz NXYDVMWNEWCJFD-WCQYABFASA-N 1 0 264.325 2.594 20 5 CFBDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282109623 195507294 /nfs/dbraw/zinc/50/72/94/195507294.db2.gz IZBSAJGAAKGZQX-TZMCWYRMSA-N 1 0 278.352 2.890 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283856761 195932098 /nfs/dbraw/zinc/93/20/98/195932098.db2.gz BJTUYQHTNMXVSZ-VZJVUDMVSA-N 1 0 293.367 2.785 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414216306 533306095 /nfs/dbraw/zinc/30/60/95/533306095.db2.gz ZLWCGSFRRUCNRV-STQMWFEESA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@@H](NCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423174707 533392067 /nfs/dbraw/zinc/39/20/67/533392067.db2.gz CMXUBMASDVRZJF-SNVBAGLBSA-N 1 0 291.376 2.933 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C(C)C ZINC000468629434 533408189 /nfs/dbraw/zinc/40/81/89/533408189.db2.gz MMQMGJCHJXQJAI-WDBUWWRISA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]1O ZINC000459586113 533410138 /nfs/dbraw/zinc/41/01/38/533410138.db2.gz KNVPZTSDVKINOS-UHUXCJHTSA-N 1 0 276.336 2.501 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N)c2)cc1[N+](=O)[O-] ZINC000191609348 130262178 /nfs/dbraw/zinc/26/21/78/130262178.db2.gz DXNWIOIWHRIGJI-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192178371 130388926 /nfs/dbraw/zinc/38/89/26/130388926.db2.gz SSSRIQXYPIAMEE-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342297107 130427265 /nfs/dbraw/zinc/42/72/65/130427265.db2.gz KIUOUYZWXFQCAZ-VXGBXAGGSA-N 1 0 252.289 2.883 20 5 CFBDRO CC[NH+](CC)CCCSc1ncccc1[N+](=O)[O-] ZINC000194532791 130702042 /nfs/dbraw/zinc/70/20/42/130702042.db2.gz PAMGDHSQBSJRON-UHFFFAOYSA-N 1 0 269.370 2.814 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000237536896 131039102 /nfs/dbraw/zinc/03/91/02/131039102.db2.gz OQQKSQPPHROVHA-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248892892 131118678 /nfs/dbraw/zinc/11/86/78/131118678.db2.gz FBXHDZXBFRSXIO-DOMZBBRYSA-N 1 0 277.368 2.730 20 5 CFBDRO Cc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261651431 131159829 /nfs/dbraw/zinc/15/98/29/131159829.db2.gz JSOBXIDFJCEGOI-AAEUAGOBSA-N 1 0 291.351 2.749 20 5 CFBDRO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262096984 131190722 /nfs/dbraw/zinc/19/07/22/131190722.db2.gz BXLMAWQTBJEPCD-XHDPSFHLSA-N 1 0 293.367 2.598 20 5 CFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263743743 131321363 /nfs/dbraw/zinc/32/13/63/131321363.db2.gz FPLUSEMLRWGPSS-UHFFFAOYSA-N 1 0 293.367 2.508 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000264040823 131385032 /nfs/dbraw/zinc/38/50/32/131385032.db2.gz SBUXYWXFPDSBCR-INIZCTEOSA-N 1 0 286.331 2.760 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267307182 131852324 /nfs/dbraw/zinc/85/23/24/131852324.db2.gz WGPSQWXKYZOIPJ-JSGCOSHPSA-N 1 0 263.341 2.880 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000268826725 132072991 /nfs/dbraw/zinc/07/29/91/132072991.db2.gz JITKNCKTWIGBPE-RYUDHWBXSA-N 1 0 264.325 2.590 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000268873253 132081045 /nfs/dbraw/zinc/08/10/45/132081045.db2.gz VXQDQGAFWSDPTA-QWHCGFSZSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000268873256 132081305 /nfs/dbraw/zinc/08/13/05/132081305.db2.gz VXQDQGAFWSDPTA-STQMWFEESA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000268923777 132089137 /nfs/dbraw/zinc/08/91/37/132089137.db2.gz KNAFXIWFWIJZHK-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000268946427 132092266 /nfs/dbraw/zinc/09/22/66/132092266.db2.gz QSQLIGLEYHWPSG-PWSUYJOCSA-N 1 0 266.341 2.572 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000268945006 132092427 /nfs/dbraw/zinc/09/24/27/132092427.db2.gz BAPIBAPIDZGOFH-OCCSQVGLSA-N 1 0 296.392 2.783 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)CCO)cccc1[N+](=O)[O-] ZINC000269006693 132099419 /nfs/dbraw/zinc/09/94/19/132099419.db2.gz WGCOJJPZJXIHCY-LBPRGKRZSA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000179867634 393470872 /nfs/dbraw/zinc/47/08/72/393470872.db2.gz UNJOTSZVXOMLJF-JTQLQIEISA-N 1 0 282.315 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCSC1 ZINC000183256713 393518497 /nfs/dbraw/zinc/51/84/97/393518497.db2.gz KLKVSCNFEUEBDG-ZDUSSCGKSA-N 1 0 266.366 2.841 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)NCc1csc([N+](=O)[O-])c1 ZINC000037563121 393532267 /nfs/dbraw/zinc/53/22/67/393532267.db2.gz RQYRYOFGMVMANF-LLVKDONJSA-N 1 0 283.397 2.620 20 5 CFBDRO CC1(C)C[C@H](N[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331884476 393557546 /nfs/dbraw/zinc/55/75/46/393557546.db2.gz CHUKHSBSDPZXKI-ABAIWWIYSA-N 1 0 289.379 2.659 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000408378049 393626829 /nfs/dbraw/zinc/62/68/29/393626829.db2.gz SXCJVOAGJSIGNY-ZDUSSCGKSA-N 1 0 292.383 2.527 20 5 CFBDRO CCC(CC)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192699886 393630393 /nfs/dbraw/zinc/63/03/93/393630393.db2.gz DOXYOMVHHSOUIE-SNVBAGLBSA-N 1 0 279.340 2.700 20 5 CFBDRO C[N@H+](CCc1cncs1)CCc1ccccc1[N+](=O)[O-] ZINC000411720674 393741899 /nfs/dbraw/zinc/74/18/99/393741899.db2.gz NJZIMBQKNNDGGG-UHFFFAOYSA-N 1 0 291.376 2.768 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509171 393742537 /nfs/dbraw/zinc/74/25/37/393742537.db2.gz NCMZOFSWZNVENZ-PHIMTYICSA-N 1 0 298.412 2.831 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411280023 393692915 /nfs/dbraw/zinc/69/29/15/393692915.db2.gz DDMLESRLVMNDCY-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1C[C@H]2C[C@H]2C1 ZINC000424205514 393796802 /nfs/dbraw/zinc/79/68/02/393796802.db2.gz NTMAVPWOLOYBGO-RSSBLAFISA-N 1 0 258.321 2.996 20 5 CFBDRO CC(C)(C)[NH2+]CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414677581 393802623 /nfs/dbraw/zinc/80/26/23/393802623.db2.gz PAKIRBJGVBNNAH-UHFFFAOYSA-N 1 0 291.395 2.947 20 5 CFBDRO CC(C)c1ccc(CN(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414782604 393805775 /nfs/dbraw/zinc/80/57/75/393805775.db2.gz XVNHKELFEBEXFT-UHFFFAOYSA-N 1 0 277.368 2.640 20 5 CFBDRO COCC(C)(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116392099 393907524 /nfs/dbraw/zinc/90/75/24/393907524.db2.gz QBSJBRRWLLDJSZ-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@@H]1C ZINC000120070033 393929156 /nfs/dbraw/zinc/92/91/56/393929156.db2.gz IKNBCXPAAXSUJY-STQMWFEESA-N 1 0 280.372 2.692 20 5 CFBDRO CC(C)[C@H]([NH3+])CCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251312630 393931450 /nfs/dbraw/zinc/93/14/50/393931450.db2.gz KJTLKXGJKUQJKC-TZMCWYRMSA-N 1 0 279.384 2.961 20 5 CFBDRO C[C@@H](SCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000120240201 393931866 /nfs/dbraw/zinc/93/18/66/393931866.db2.gz RKZPRXUVFRXPKC-SNVBAGLBSA-N 1 0 254.355 2.951 20 5 CFBDRO C[C@@H](O)[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598326 393937009 /nfs/dbraw/zinc/93/70/09/393937009.db2.gz YCYBHGDDYQAFBT-MNOVXSKESA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000252649248 393937741 /nfs/dbraw/zinc/93/77/41/393937741.db2.gz RWWISAYIWSOJIN-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347170131 393937756 /nfs/dbraw/zinc/93/77/56/393937756.db2.gz MZYILBAEGJRKMZ-CSIFZYERSA-N 1 0 289.379 2.810 20 5 CFBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749468 393940195 /nfs/dbraw/zinc/94/01/95/393940195.db2.gz FUKLOWOLNCKFPX-CHWSQXEVSA-N 1 0 280.372 2.692 20 5 CFBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000418136794 394019347 /nfs/dbraw/zinc/01/93/47/394019347.db2.gz AWPUFWNKNGRAJX-UHFFFAOYSA-N 1 0 266.341 2.762 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000430207111 393967962 /nfs/dbraw/zinc/96/79/62/393967962.db2.gz YTVWGWCJCOXRKG-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1CSC ZINC000430224226 393971000 /nfs/dbraw/zinc/97/10/00/393971000.db2.gz YKWRFTPQPLVQLD-CYBMUJFWSA-N 1 0 296.392 2.931 20 5 CFBDRO CC[C@@H](C)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000350831088 393979465 /nfs/dbraw/zinc/97/94/65/393979465.db2.gz CLCSOHVYAPUPNO-CYBMUJFWSA-N 1 0 277.368 2.763 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000125569666 394009181 /nfs/dbraw/zinc/00/91/81/394009181.db2.gz QQCXWZAVHWYTPJ-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO CC(C)(O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270956007 394014715 /nfs/dbraw/zinc/01/47/15/394014715.db2.gz YNELAOXUGKHKEG-UHFFFAOYSA-N 1 0 278.352 2.720 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420234954 394101670 /nfs/dbraw/zinc/10/16/70/394101670.db2.gz HWKDCDLIBLSQCD-MNOVXSKESA-N 1 0 286.335 2.825 20 5 CFBDRO C[N@H+](CCCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000281837665 394081593 /nfs/dbraw/zinc/08/15/93/394081593.db2.gz MSKWDDPFBLQQHE-UHFFFAOYSA-N 1 0 297.354 2.760 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129609383 394091297 /nfs/dbraw/zinc/09/12/97/394091297.db2.gz IUUSFSLWWXWQGM-MJBXVCDLSA-N 1 0 278.352 2.795 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130373352 394110142 /nfs/dbraw/zinc/11/01/42/394110142.db2.gz YDUJNTGXXKKTAR-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000420273668 394111777 /nfs/dbraw/zinc/11/17/77/394111777.db2.gz FBPCDZBOIATGLS-PSASIEDQSA-N 1 0 284.747 2.573 20 5 CFBDRO Cc1cc(N(C)CC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000360053247 394144768 /nfs/dbraw/zinc/14/47/68/394144768.db2.gz RMUYZCOGJVBRJI-UHFFFAOYSA-N 1 0 281.331 2.573 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000360209187 394146224 /nfs/dbraw/zinc/14/62/24/394146224.db2.gz OYMJQWIXPDFCQQ-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000420991514 394149577 /nfs/dbraw/zinc/14/95/77/394149577.db2.gz IWMBZLJSVVFMSW-OAHLLOKOSA-N 1 0 290.363 2.517 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@@H+]1C ZINC000421003788 394153712 /nfs/dbraw/zinc/15/37/12/394153712.db2.gz NIZMYDYFWXUYHL-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363621420 394198098 /nfs/dbraw/zinc/19/80/98/394198098.db2.gz BTLYGSXBZNWRSG-AWEZNQCLSA-N 1 0 275.352 2.578 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421379694 394210728 /nfs/dbraw/zinc/21/07/28/394210728.db2.gz JCURDRVNPKOFLI-DGCLKSJQSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162976 394236299 /nfs/dbraw/zinc/23/62/99/394236299.db2.gz KXNJMKCIXLIFHC-WCQYABFASA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cnn(C)c1 ZINC000449164655 394237291 /nfs/dbraw/zinc/23/72/91/394237291.db2.gz QIBAJTFQJCHWHX-NEPJUHHUSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000449230040 394259407 /nfs/dbraw/zinc/25/94/07/394259407.db2.gz GYUZLVJJYFXKCY-UMVBOHGHSA-N 1 0 292.379 2.931 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)COC ZINC000291636360 394250657 /nfs/dbraw/zinc/25/06/57/394250657.db2.gz AZISVDMFNXUPCY-UHFFFAOYSA-N 1 0 296.367 2.756 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000291788320 394259649 /nfs/dbraw/zinc/25/96/49/394259649.db2.gz MPMHTYCLVRHULH-AWEZNQCLSA-N 1 0 286.335 2.547 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000449208889 394252181 /nfs/dbraw/zinc/25/21/81/394252181.db2.gz PXRHPUKEXIIDQR-WPGHFRTFSA-N 1 0 290.363 2.683 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccon1 ZINC000449235203 394262296 /nfs/dbraw/zinc/26/22/96/394262296.db2.gz FQAFMIUPHZLEMJ-MNOVXSKESA-N 1 0 275.308 2.865 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCOC1 ZINC000449240703 394263660 /nfs/dbraw/zinc/26/36/60/394263660.db2.gz ONDVRVSFWBXAAA-QWHCGFSZSA-N 1 0 278.352 2.542 20 5 CFBDRO CC(C)[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000292679035 394276238 /nfs/dbraw/zinc/27/62/38/394276238.db2.gz RAEIWARYLYTFFW-HNNXBMFYSA-N 1 0 280.368 2.822 20 5 CFBDRO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292780379 394276807 /nfs/dbraw/zinc/27/68/07/394276807.db2.gz LTGXPEACHAFYHU-INIZCTEOSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@@H+](C)C(C)C ZINC000155761665 394322772 /nfs/dbraw/zinc/32/27/72/394322772.db2.gz HVVCSUVDDWOXOG-CYBMUJFWSA-N 1 0 279.384 2.894 20 5 CFBDRO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104160 394357321 /nfs/dbraw/zinc/35/73/21/394357321.db2.gz PVBRRMPJKXCQHN-JSGCOSHPSA-N 1 0 277.368 2.730 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172669453 394373644 /nfs/dbraw/zinc/37/36/44/394373644.db2.gz HKPKKOLTPVUMAR-GFCCVEGCSA-N 1 0 266.341 2.840 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000543469008 394732649 /nfs/dbraw/zinc/73/26/49/394732649.db2.gz KOQJRLHQUKUUPQ-ZYHUDNBSSA-N 1 0 293.367 2.866 20 5 CFBDRO C[C@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542485751 394704705 /nfs/dbraw/zinc/70/47/05/394704705.db2.gz IGCXNBZXIPKKLR-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](C)C[C@@H]1C ZINC000548754377 394951731 /nfs/dbraw/zinc/95/17/31/394951731.db2.gz CEAXKFPZDSAUJQ-RYUDHWBXSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1ccc(C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000356357460 155238384 /nfs/dbraw/zinc/23/83/84/155238384.db2.gz FYEPFMIXNNHPGG-WFASDCNBSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000356733472 155343865 /nfs/dbraw/zinc/34/38/65/155343865.db2.gz BIAUOCFCPLJZNZ-CQSZACIVSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1c[nH+]ccc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000343250427 154154609 /nfs/dbraw/zinc/15/46/09/154154609.db2.gz OFNYLOGCCXYKDV-UHFFFAOYSA-N 1 0 271.320 2.977 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCO1 ZINC000348283864 154394144 /nfs/dbraw/zinc/39/41/44/154394144.db2.gz YYKSDVVJHIVCFZ-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000357776118 155530375 /nfs/dbraw/zinc/53/03/75/155530375.db2.gz SQPZXVCSVAPLCV-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO CCCC[N@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359090434 155982506 /nfs/dbraw/zinc/98/25/06/155982506.db2.gz FRJJLGGSJBSKDS-UHFFFAOYSA-N 1 0 280.372 2.750 20 5 CFBDRO CCC[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363186809 156157571 /nfs/dbraw/zinc/15/75/71/156157571.db2.gz XZNGKYHYERRXQK-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO C[C@H]1COCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366798692 156240922 /nfs/dbraw/zinc/24/09/22/156240922.db2.gz YMXALKDXLXDFLO-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367609386 156361437 /nfs/dbraw/zinc/36/14/37/156361437.db2.gz WNDYUFWTALNCPU-CYBMUJFWSA-N 1 0 286.335 2.528 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371876134 156828822 /nfs/dbraw/zinc/82/88/22/156828822.db2.gz JQSUAPMVVKOKMI-INIZCTEOSA-N 1 0 289.379 2.573 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CC3CCCC3)C2)c1 ZINC000373586211 157010059 /nfs/dbraw/zinc/01/00/59/157010059.db2.gz RAGXCXGJAVLOAK-CYBMUJFWSA-N 1 0 278.356 2.618 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000373776616 157029383 /nfs/dbraw/zinc/02/93/83/157029383.db2.gz IAPXRTRINZXXKF-AWEZNQCLSA-N 1 0 276.336 2.978 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000374041598 157061524 /nfs/dbraw/zinc/06/15/24/157061524.db2.gz IMWGEPHFLQJVBE-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000374145201 157074385 /nfs/dbraw/zinc/07/43/85/157074385.db2.gz ZVABWUSPMMJYPU-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000408172229 157383748 /nfs/dbraw/zinc/38/37/48/157383748.db2.gz UEWBEUYDNAOXNJ-CHWSQXEVSA-N 1 0 292.383 2.526 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000343960628 161902080 /nfs/dbraw/zinc/90/20/80/161902080.db2.gz MIAKSGJLTKSKLZ-AWEZNQCLSA-N 1 0 263.341 2.881 20 5 CFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000344412883 162036972 /nfs/dbraw/zinc/03/69/72/162036972.db2.gz FAFQZNQJUHWKTK-CYBMUJFWSA-N 1 0 280.372 2.768 20 5 CFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000344413897 162037054 /nfs/dbraw/zinc/03/70/54/162037054.db2.gz FRKDTYOHYWVDGG-CYBMUJFWSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[C@@](C)(CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344786874 162121969 /nfs/dbraw/zinc/12/19/69/162121969.db2.gz GPGSWZPWSOTNNS-LYASGUKUSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000344841889 162132153 /nfs/dbraw/zinc/13/21/53/162132153.db2.gz CFACTQCCCPTSLN-UHFFFAOYSA-N 1 0 277.368 2.514 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CCO)CC1 ZINC000344850076 162134966 /nfs/dbraw/zinc/13/49/66/162134966.db2.gz DAGSEJLSYSXAPN-UKTHLTGXSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2ncccc12 ZINC000344884670 162142742 /nfs/dbraw/zinc/14/27/42/162142742.db2.gz KJNAUFUYENLOAE-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO CC[C@H](CCO)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000345043539 162168080 /nfs/dbraw/zinc/16/80/80/162168080.db2.gz IHNLXJLMJNKHEV-RNQWEJQRSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000345174293 162194198 /nfs/dbraw/zinc/19/41/98/162194198.db2.gz ONXFAIBWRFCNPR-RYUDHWBXSA-N 1 0 293.367 2.522 20 5 CFBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349830027 163022295 /nfs/dbraw/zinc/02/22/95/163022295.db2.gz QGYSAROHUZHQIX-QUCGXOGASA-N 1 0 284.743 2.665 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350311719 163072790 /nfs/dbraw/zinc/07/27/90/163072790.db2.gz JYAKUSCXUUPOPW-ZYHUDNBSSA-N 1 0 284.331 2.621 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000353023711 163289744 /nfs/dbraw/zinc/28/97/44/163289744.db2.gz XQQHRBKKWPLJLV-GWCFXTLKSA-N 1 0 266.366 2.744 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353446847 163367726 /nfs/dbraw/zinc/36/77/26/163367726.db2.gz JPMDCPDMAHBKKK-AAEUAGOBSA-N 1 0 293.367 2.636 20 5 CFBDRO CN(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000020122406 171002526 /nfs/dbraw/zinc/00/25/26/171002526.db2.gz BITBBWQPBFDMRT-AWEZNQCLSA-N 1 0 289.335 2.580 20 5 CFBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000025509851 171459382 /nfs/dbraw/zinc/45/93/82/171459382.db2.gz GMDIQJGFIHVRNI-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107381 196198036 /nfs/dbraw/zinc/19/80/36/196198036.db2.gz KQJKPOXDHYBAEZ-NXEZZACHSA-N 1 0 281.381 2.581 20 5 CFBDRO CC[NH+](CC)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343387 172135041 /nfs/dbraw/zinc/13/50/41/172135041.db2.gz JCYTVNZLJLJDBD-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000285360324 196261091 /nfs/dbraw/zinc/26/10/91/196261091.db2.gz AHKPZPXGNWPEHS-BBRMVZONSA-N 1 0 289.379 2.653 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000285367874 196263423 /nfs/dbraw/zinc/26/34/23/196263423.db2.gz BYQZXYHKIHZOMV-HNNXBMFYSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285391655 196270355 /nfs/dbraw/zinc/27/03/55/196270355.db2.gz WTQVWTZLLLEZGH-HZMBPMFUSA-N 1 0 295.383 2.625 20 5 CFBDRO C[N@H+](CCCCF)CCc1ccccc1[N+](=O)[O-] ZINC000285425796 196281768 /nfs/dbraw/zinc/28/17/68/196281768.db2.gz WCCHCHJQGLSDPJ-UHFFFAOYSA-N 1 0 254.305 2.819 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285497308 196304916 /nfs/dbraw/zinc/30/49/16/196304916.db2.gz MKWKGOBPXWESJL-XYPWUTKMSA-N 1 0 289.379 2.652 20 5 CFBDRO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037166544 173000384 /nfs/dbraw/zinc/00/03/84/173000384.db2.gz FCUUFJSETOINBL-AWEZNQCLSA-N 1 0 279.384 2.661 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000037177137 173010898 /nfs/dbraw/zinc/01/08/98/173010898.db2.gz GSJGNVWMLRESHY-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790459 196399752 /nfs/dbraw/zinc/39/97/52/196399752.db2.gz TWBGYTOAVBDTIP-RYUDHWBXSA-N 1 0 266.341 2.931 20 5 CFBDRO CC(C)C[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079433 174089230 /nfs/dbraw/zinc/08/92/30/174089230.db2.gz PRAKDAUZXPCDRW-GFCCVEGCSA-N 1 0 266.341 2.998 20 5 CFBDRO CCC(CC)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079324 174089411 /nfs/dbraw/zinc/08/94/11/174089411.db2.gz ARNBXMNLDWCKRW-UHFFFAOYSA-N 1 0 252.314 2.752 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087921 174100669 /nfs/dbraw/zinc/10/06/69/174100669.db2.gz SHAINOOWTVVCPJ-FZMZJTMJSA-N 1 0 265.357 2.586 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038088198 174100895 /nfs/dbraw/zinc/10/08/95/174100895.db2.gz CSPJRTPPDMGKDS-RYUDHWBXSA-N 1 0 265.357 2.504 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)cc1 ZINC000040433113 174260627 /nfs/dbraw/zinc/26/06/27/174260627.db2.gz VLSLNOHHQSBJFC-UHFFFAOYSA-N 1 0 263.341 2.883 20 5 CFBDRO Cc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000040623004 174356079 /nfs/dbraw/zinc/35/60/79/174356079.db2.gz QPNVPCVLIIJGLY-HNNXBMFYSA-N 1 0 291.395 2.723 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672540 174370510 /nfs/dbraw/zinc/37/05/10/174370510.db2.gz KEZKAFYFVMDVRV-JSGCOSHPSA-N 1 0 277.368 2.648 20 5 CFBDRO CC[NH+]1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000044411746 175172051 /nfs/dbraw/zinc/17/20/51/175172051.db2.gz OUDVVDLADGXVDX-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CC[NH+](C)C ZINC000049558729 175488069 /nfs/dbraw/zinc/48/80/69/175488069.db2.gz LJAYORUPBHACQR-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000393673638 270308251 /nfs/dbraw/zinc/30/82/51/270308251.db2.gz RVHMUUGDAQPYFF-UHFFFAOYSA-N 1 0 272.370 2.543 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193333712 274075882 /nfs/dbraw/zinc/07/58/82/274075882.db2.gz WZZHGXDOUZOYKS-QMTHXVAHSA-N 1 0 264.325 2.597 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517756897 260189382 /nfs/dbraw/zinc/18/93/82/260189382.db2.gz LJAHRGOUJNKDOD-CWSCBRNRSA-N 1 0 264.325 2.595 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000313016314 260234917 /nfs/dbraw/zinc/23/49/17/260234917.db2.gz ATIUEILCRKIBPL-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000518393699 260397382 /nfs/dbraw/zinc/39/73/82/260397382.db2.gz INKDDKXZRYPKMT-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1cnccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000296816743 263196882 /nfs/dbraw/zinc/19/68/82/263196882.db2.gz NFGSENBBHQIOPT-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000224431205 270255998 /nfs/dbraw/zinc/25/59/98/270255998.db2.gz KHAALJMZCKDURM-ZLKJLUDKSA-N 1 0 264.325 2.813 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000514644529 266025496 /nfs/dbraw/zinc/02/54/96/266025496.db2.gz OGOQOMSAJFVIEY-OLZOCXBDSA-N 1 0 276.336 2.978 20 5 CFBDRO COc1ccc(C[NH2+]C(C)(C)COC(C)C)cc1[N+](=O)[O-] ZINC000396415247 270315266 /nfs/dbraw/zinc/31/52/66/270315266.db2.gz KAAFGKHNCSJBLG-UHFFFAOYSA-N 1 0 296.367 2.897 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC1 ZINC000514953474 270358969 /nfs/dbraw/zinc/35/89/69/270358969.db2.gz XDBAMEWUIHGNQT-SDNWHVSQSA-N 1 0 289.379 2.684 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532475942 270860816 /nfs/dbraw/zinc/86/08/16/270860816.db2.gz SWQUUOFVUMASOC-CMPLNLGQSA-N 1 0 266.341 2.836 20 5 CFBDRO CC1(C)C[C@H](NC[C@@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423243431 273589135 /nfs/dbraw/zinc/58/91/35/273589135.db2.gz WLIRZIQGDQKRRB-NHYWBVRUSA-N 1 0 289.379 2.659 20 5 CFBDRO C[NH2+]C(C)(C)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450392841 273957933 /nfs/dbraw/zinc/95/79/33/273957933.db2.gz PPPNTRJINMNUIA-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423472280 274256162 /nfs/dbraw/zinc/25/61/62/274256162.db2.gz QBBQURNERWQUEU-IMSIIYSGSA-N 1 0 277.368 2.643 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163924181 274302570 /nfs/dbraw/zinc/30/25/70/274302570.db2.gz BMCURWMCDQVAAY-PWSUYJOCSA-N 1 0 297.786 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCOCC1)CCC2 ZINC000192790342 275037929 /nfs/dbraw/zinc/03/79/29/275037929.db2.gz UGHHPPYHQJJKFH-INIZCTEOSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCOC1)CCCC2 ZINC000417347892 275038287 /nfs/dbraw/zinc/03/82/87/275038287.db2.gz XRDFZYAWCXWDCS-MLGOLLRUSA-N 1 0 290.363 2.988 20 5 CFBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357046 275687213 /nfs/dbraw/zinc/68/72/13/275687213.db2.gz WMMCIWVWHJKZHJ-ZFWWWQNUSA-N 1 0 278.352 2.888 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000414791934 275739970 /nfs/dbraw/zinc/73/99/70/275739970.db2.gz ROOWJWOGYLPGIA-CJNGLKHVSA-N 1 0 289.379 2.512 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580830 275863031 /nfs/dbraw/zinc/86/30/31/275863031.db2.gz QJASYHBWKLFYMR-UPJWGTAASA-N 1 0 292.383 2.911 20 5 CFBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357034 275868590 /nfs/dbraw/zinc/86/85/90/275868590.db2.gz ZMEHLMBPMOYIGH-GFCCVEGCSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346184189 276250252 /nfs/dbraw/zinc/25/02/52/276250252.db2.gz KYYJBHSSPVYLSN-STQMWFEESA-N 1 0 277.368 2.509 20 5 CFBDRO CCOC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338792764 276277016 /nfs/dbraw/zinc/27/70/16/276277016.db2.gz XGJFVOAJJBHLRH-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000362975201 276523126 /nfs/dbraw/zinc/52/31/26/276523126.db2.gz DQKOPJFQEPVGKP-ABAIWWIYSA-N 1 0 296.367 2.754 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186509191 276838418 /nfs/dbraw/zinc/83/84/18/276838418.db2.gz MIQQUUXEHNFLPH-JXSWWZISSA-N 1 0 264.325 2.573 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000227344676 277084686 /nfs/dbraw/zinc/08/46/86/277084686.db2.gz FONZXADCSPTZQT-WCQYABFASA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000271646055 277156336 /nfs/dbraw/zinc/15/63/36/277156336.db2.gz QWSKMRMIAHIMMZ-SWLSCSKDSA-N 1 0 275.352 2.515 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000280357229 277307525 /nfs/dbraw/zinc/30/75/25/277307525.db2.gz RSTOQNPXDZSWJB-LLVKDONJSA-N 1 0 294.351 2.835 20 5 CFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411951133 277317814 /nfs/dbraw/zinc/31/78/14/277317814.db2.gz PRTAKZNKSYALKC-NHYWBVRUSA-N 1 0 278.352 2.888 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000418089172 277636314 /nfs/dbraw/zinc/63/63/14/277636314.db2.gz BESWMGKYAGVUAR-CYBMUJFWSA-N 1 0 266.341 2.746 20 5 CFBDRO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000312385755 278211306 /nfs/dbraw/zinc/21/13/06/278211306.db2.gz MZHWZTNPJPMIJT-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CC1 ZINC000188055887 278236776 /nfs/dbraw/zinc/23/67/76/278236776.db2.gz LVYZGSPLDLJYPV-ZDUSSCGKSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000135793912 278268196 /nfs/dbraw/zinc/26/81/96/278268196.db2.gz SHOFKQDONCLQKJ-GMXVVIOVSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000290206091 278268898 /nfs/dbraw/zinc/26/88/98/278268898.db2.gz PNNKPOXCHXQUDF-NHYWBVRUSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000094796976 278356175 /nfs/dbraw/zinc/35/61/75/278356175.db2.gz DPKFXPYVPZVIDG-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000118415141 279108731 /nfs/dbraw/zinc/10/87/31/279108731.db2.gz QNUWNWKYEXHBIO-MNOVXSKESA-N 1 0 266.366 2.921 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268892330 279474257 /nfs/dbraw/zinc/47/42/57/279474257.db2.gz OKATXMPPFNBUFD-GXFFZTMASA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000165466431 279921427 /nfs/dbraw/zinc/92/14/27/279921427.db2.gz JHTXFLIFWSXRRR-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192884177 280153913 /nfs/dbraw/zinc/15/39/13/280153913.db2.gz WHPNRUPYRIHWSI-WFASDCNBSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000343784394 281013401 /nfs/dbraw/zinc/01/34/01/281013401.db2.gz DOFYHTBKPJBHPP-KBPBESRZSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000420309339 281020288 /nfs/dbraw/zinc/02/02/88/281020288.db2.gz FBPFORNKHHOHKM-DOMZBBRYSA-N 1 0 277.368 2.635 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420345539 281020360 /nfs/dbraw/zinc/02/03/60/281020360.db2.gz ZSPIXQWQLIDUMO-IUODEOHRSA-N 1 0 295.358 2.598 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909980 281022679 /nfs/dbraw/zinc/02/26/79/281022679.db2.gz MMYXBSQYHJRELQ-BLLLJJGKSA-N 1 0 290.363 2.811 20 5 CFBDRO CN1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248876062 281038912 /nfs/dbraw/zinc/03/89/12/281038912.db2.gz JKGFLNCYRISSSG-HOCLYGCPSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000252184822 281075728 /nfs/dbraw/zinc/07/57/28/281075728.db2.gz UDGFFAKLTJGNEA-PTEHBNRSSA-N 1 0 264.325 2.640 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278805753 281128922 /nfs/dbraw/zinc/12/89/22/281128922.db2.gz ROZRWUSYJDUIDZ-BLLLJJGKSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278805757 281129147 /nfs/dbraw/zinc/12/91/47/281129147.db2.gz ROZRWUSYJDUIDZ-LRDDRELGSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396801642 281197834 /nfs/dbraw/zinc/19/78/34/281197834.db2.gz JEHRBDYWTHNUKK-CMPLNLGQSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cccc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302511785 281229193 /nfs/dbraw/zinc/22/91/93/281229193.db2.gz STEDYQNYBVQKQU-CYBMUJFWSA-N 1 0 275.352 2.578 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@H]1C ZINC000526989509 281322400 /nfs/dbraw/zinc/32/24/00/281322400.db2.gz MJDKUNWMZSNEQS-GHMZBOCLSA-N 1 0 264.325 2.976 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CCO)CC1 ZINC000535782270 281510074 /nfs/dbraw/zinc/51/00/74/281510074.db2.gz WNVKIQOULOUZEZ-HWKANZROSA-N 1 0 290.363 2.702 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C2(COC)CC2)cc1[N+](=O)[O-] ZINC000540749795 281589592 /nfs/dbraw/zinc/58/95/92/281589592.db2.gz OKVKJAAQOUUVHH-NSHDSACASA-N 1 0 294.351 2.823 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(C3CC3)CC2)c1 ZINC000544413478 281666046 /nfs/dbraw/zinc/66/60/46/281666046.db2.gz CLYNUGMSTBPQMZ-UHFFFAOYSA-N 1 0 262.309 2.506 20 5 CFBDRO Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)cc[nH+]1 ZINC000548491041 281788806 /nfs/dbraw/zinc/78/88/06/281788806.db2.gz SEGJLZIMPFFYRO-UHFFFAOYSA-N 1 0 269.304 2.861 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558461912 281982656 /nfs/dbraw/zinc/98/26/56/281982656.db2.gz TYQHHOCXABBZLQ-MFKMUULPSA-N 1 0 291.351 2.700 20 5 CFBDRO O=C(CC[NH2+]CC1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573345 281985457 /nfs/dbraw/zinc/98/54/57/281985457.db2.gz HJGDMRVEZNKVOU-UHFFFAOYSA-N 1 0 291.351 2.703 20 5 CFBDRO C[C@H]1C[C@@H]1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561987169 282064405 /nfs/dbraw/zinc/06/44/05/282064405.db2.gz QNFWAJBYICZNQI-CMPLNLGQSA-N 1 0 273.336 2.864 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000286582551 289044299 /nfs/dbraw/zinc/04/42/99/289044299.db2.gz YLAIFWMAFYZWEF-CHWSQXEVSA-N 1 0 275.352 2.658 20 5 CFBDRO COC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000563418783 290147036 /nfs/dbraw/zinc/14/70/36/290147036.db2.gz PRWUOZOQDXAEJF-KGLIPLIRSA-N 1 0 278.352 2.843 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000565046317 290262596 /nfs/dbraw/zinc/26/25/96/290262596.db2.gz CITNVDPQBJJRIF-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000565218184 290283319 /nfs/dbraw/zinc/28/33/19/290283319.db2.gz LWKDBVNLTKRFCG-GXTWGEPZSA-N 1 0 278.352 2.721 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219736 290283942 /nfs/dbraw/zinc/28/39/42/290283942.db2.gz YYEFODRBDVIMRL-SMDDNHRTSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@](C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000565434908 290301914 /nfs/dbraw/zinc/30/19/14/290301914.db2.gz WQLHJVXZJLOJHZ-UKRRQHHQSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CO[C@H](C)C1 ZINC000566220587 290359976 /nfs/dbraw/zinc/35/99/76/290359976.db2.gz KHIDOAYPTOWVBR-YRGRVCCFSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475895 290391880 /nfs/dbraw/zinc/39/18/80/290391880.db2.gz QSBMYPGXWNZQNG-RISCZKNCSA-N 1 0 278.352 2.580 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCCc1ccncc1C ZINC000566484960 290393586 /nfs/dbraw/zinc/39/35/86/290393586.db2.gz VCYIYNBOAOECBP-UHFFFAOYSA-N 1 0 287.319 2.961 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000567992545 290512610 /nfs/dbraw/zinc/51/26/10/290512610.db2.gz UMZJPHYCHAPTES-WFASDCNBSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000171843842 322413812 /nfs/dbraw/zinc/41/38/12/322413812.db2.gz GPVRUSJQFUZHJV-SNVBAGLBSA-N 1 0 294.351 2.986 20 5 CFBDRO COC[C@H](C)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000571739013 322594159 /nfs/dbraw/zinc/59/41/59/322594159.db2.gz DQHLESANUGVTSO-LLVKDONJSA-N 1 0 266.341 2.702 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000572642257 322626473 /nfs/dbraw/zinc/62/64/73/322626473.db2.gz VZBWIMUDYFJERM-GVXVVHGQSA-N 1 0 294.351 2.822 20 5 CFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cn[nH]c1 ZINC000572694665 322628438 /nfs/dbraw/zinc/62/84/38/322628438.db2.gz OOCCOWOLGPBAPQ-JTQLQIEISA-N 1 0 299.334 2.693 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572975238 322639403 /nfs/dbraw/zinc/63/94/03/322639403.db2.gz PWTGTARQGSWTOB-RISCZKNCSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000574872785 322709207 /nfs/dbraw/zinc/70/92/07/322709207.db2.gz ATYHZJSFOQDIHE-HZPDHXFCSA-N 1 0 290.363 2.988 20 5 CFBDRO CC/C=C\CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000341308773 324123456 /nfs/dbraw/zinc/12/34/56/324123456.db2.gz AUPPXLHZAYGZBI-SCOBNMCVSA-N 1 0 290.367 2.832 20 5 CFBDRO Cc1c(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000386075721 324472761 /nfs/dbraw/zinc/47/27/61/324472761.db2.gz GBSLATCDMWJJNK-JSGCOSHPSA-N 1 0 277.368 2.523 20 5 CFBDRO C[NH+](C)CC1(Nc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000393501020 324529950 /nfs/dbraw/zinc/52/99/50/324529950.db2.gz LGSPOXLOHGYJAH-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000394034317 324533254 /nfs/dbraw/zinc/53/32/54/324533254.db2.gz FTIGVCQECJYIDS-GXTWGEPZSA-N 1 0 280.368 2.818 20 5 CFBDRO CCc1ccc(OCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000396643706 324544403 /nfs/dbraw/zinc/54/44/03/324544403.db2.gz KOGZWBRRFWZRST-LBPRGKRZSA-N 1 0 264.325 2.536 20 5 CFBDRO C[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000576121958 324581261 /nfs/dbraw/zinc/58/12/61/324581261.db2.gz SIZNUEMPFIRYPF-HIFRSBDPSA-N 1 0 276.336 2.598 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000577115957 324698648 /nfs/dbraw/zinc/69/86/48/324698648.db2.gz ULWKLQYDEQRYSM-ABAIWWIYSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCSC1 ZINC000578522254 324861270 /nfs/dbraw/zinc/86/12/70/324861270.db2.gz GEIZDFIXMHGKCM-MFKMUULPSA-N 1 0 278.377 2.925 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)CCO ZINC000579317648 324939476 /nfs/dbraw/zinc/93/94/76/324939476.db2.gz MBMGMSSMAKPZHG-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580095199 325007772 /nfs/dbraw/zinc/00/77/72/325007772.db2.gz LQNIEOJQDHCKCS-GXTWGEPZSA-N 1 0 276.336 2.597 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000581260181 325106099 /nfs/dbraw/zinc/10/60/99/325106099.db2.gz FPEJLQOGQMVDNX-NEPJUHHUSA-N 1 0 293.367 2.888 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000582042629 325171118 /nfs/dbraw/zinc/17/11/18/325171118.db2.gz NPNQNBWVTVZVTO-QLFBSQMISA-N 1 0 276.336 2.739 20 5 CFBDRO CC(C)=CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583930201 325319730 /nfs/dbraw/zinc/31/97/30/325319730.db2.gz UJXGWHVCENBUTK-UHFFFAOYSA-N 1 0 291.351 2.869 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC23CCC[NH+]2CCC3)c1 ZINC000584223350 325338732 /nfs/dbraw/zinc/33/87/32/325338732.db2.gz CXLARWMPEYKGTD-UHFFFAOYSA-N 1 0 275.352 2.944 20 5 CFBDRO Cc1ccc(NC(=O)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000584310541 325345828 /nfs/dbraw/zinc/34/58/28/325345828.db2.gz IKDWBIXKSQVSIV-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO CC1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076013331 520378075 /nfs/dbraw/zinc/37/80/75/520378075.db2.gz WFCOGCSKPWQLTO-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CC[C@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000079742453 522262163 /nfs/dbraw/zinc/26/21/63/522262163.db2.gz SZFNCRPSXVJUNI-SNVBAGLBSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420368299 534104575 /nfs/dbraw/zinc/10/45/75/534104575.db2.gz NNELPFHLYDKOOO-ISTVAULSSA-N 1 0 297.786 2.724 20 5 CFBDRO CS[C@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000425362944 534112477 /nfs/dbraw/zinc/11/24/77/534112477.db2.gz VZEOLSAPUXEULX-STQMWFEESA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000440598017 518184578 /nfs/dbraw/zinc/18/45/78/518184578.db2.gz MTGSIUXXVSQRMI-SDBXPKJASA-N 1 0 297.305 2.768 20 5 CFBDRO CC(C)OC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000337346498 519770801 /nfs/dbraw/zinc/77/08/01/519770801.db2.gz WLWWBGIQDRWPJS-GFCCVEGCSA-N 1 0 266.341 2.540 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000085397762 520426450 /nfs/dbraw/zinc/42/64/50/520426450.db2.gz PTSNBLSHWXPKBN-LSDHHAIUSA-N 1 0 292.379 2.931 20 5 CFBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311086224 520567776 /nfs/dbraw/zinc/56/77/76/520567776.db2.gz ORRQZBUKUJGOGJ-JTQLQIEISA-N 1 0 252.289 2.870 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1nccc(C)c1[N+](=O)[O-] ZINC000190966356 520595391 /nfs/dbraw/zinc/59/53/91/520595391.db2.gz JIVXNTQAESYMJP-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000054614389 520637909 /nfs/dbraw/zinc/63/79/09/520637909.db2.gz JBVGHECKUAFANQ-LBPRGKRZSA-N 1 0 280.372 2.912 20 5 CFBDRO CC[NH+](CC)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726181 520690191 /nfs/dbraw/zinc/69/01/91/520690191.db2.gz KTEGAOQXHQTDTM-UHFFFAOYSA-N 1 0 251.330 2.657 20 5 CFBDRO CCC[C@@H]([NH2+]CC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982747 520774261 /nfs/dbraw/zinc/77/42/61/520774261.db2.gz ATBXIQUQJQSFKW-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1occc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000414447440 534569835 /nfs/dbraw/zinc/56/98/35/534569835.db2.gz PLZPPECOSKQDGS-UHFFFAOYSA-N 1 0 290.323 2.530 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443232 521639897 /nfs/dbraw/zinc/63/98/97/521639897.db2.gz QLOYMEHLWVEFLL-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245439899 521713910 /nfs/dbraw/zinc/71/39/10/521713910.db2.gz TXXQCUNHTCPDPG-DZGCQCFKSA-N 1 0 291.395 2.757 20 5 CFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000072926567 521766872 /nfs/dbraw/zinc/76/68/72/521766872.db2.gz QWUJAOGLRMHPEO-DZGCQCFKSA-N 1 0 278.352 2.888 20 5 CFBDRO C[NH+](C)Cc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000174357572 521918608 /nfs/dbraw/zinc/91/86/08/521918608.db2.gz AKYSAJVWDABBDV-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159099747 522168842 /nfs/dbraw/zinc/16/88/42/522168842.db2.gz SEKIZRAXTXSPOM-HUUCEWRRSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274629 522627117 /nfs/dbraw/zinc/62/71/17/522627117.db2.gz DGDOPIIGZJVSSU-JKSUJKDBSA-N 1 0 291.395 2.976 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000058938190 522871247 /nfs/dbraw/zinc/87/12/47/522871247.db2.gz VIGCVBHBBDMXSC-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000070360835 523382874 /nfs/dbraw/zinc/38/28/74/523382874.db2.gz KWTCPZCACICVCQ-STQMWFEESA-N 1 0 264.325 2.642 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000360843100 523401838 /nfs/dbraw/zinc/40/18/38/523401838.db2.gz ZJOTWSRYGNYRRG-JQWIXIFHSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361294 523578476 /nfs/dbraw/zinc/57/84/76/523578476.db2.gz IKKIKCLZRLODPT-TZMCWYRMSA-N 1 0 264.325 2.642 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000360843101 523874716 /nfs/dbraw/zinc/87/47/16/523874716.db2.gz ZJOTWSRYGNYRRG-PWSUYJOCSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000054472385 523883137 /nfs/dbraw/zinc/88/31/37/523883137.db2.gz QMQGZICSZMOVJD-JTQLQIEISA-N 1 0 252.314 2.739 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363672786 523973186 /nfs/dbraw/zinc/97/31/86/523973186.db2.gz OGGQNSRZPUVTGW-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000300654888 524014151 /nfs/dbraw/zinc/01/41/51/524014151.db2.gz TXOIIYCSCHUOJM-KGLIPLIRSA-N 1 0 278.352 2.540 20 5 CFBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1O ZINC000052926097 524073365 /nfs/dbraw/zinc/07/33/65/524073365.db2.gz BRKBIGXXSXHPDA-UHFFFAOYSA-N 1 0 288.303 2.599 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000168944120 524293661 /nfs/dbraw/zinc/29/36/61/524293661.db2.gz GMQHVUKANWWORA-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO Cc1cc(N(C)Cc2cc[nH]n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340809776 525029710 /nfs/dbraw/zinc/02/97/10/525029710.db2.gz YVKAKGKAOZLNQB-UHFFFAOYSA-N 1 0 297.318 2.811 20 5 CFBDRO Cc1cc(NCC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000312629086 525270341 /nfs/dbraw/zinc/27/03/41/525270341.db2.gz VVWYQJQSPMPIDP-UHFFFAOYSA-N 1 0 281.331 2.940 20 5 CFBDRO C[C@H]([NH2+]C1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361982287 525291509 /nfs/dbraw/zinc/29/15/09/525291509.db2.gz QNJLKIGYEMDTST-DCBWTQNWSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000050443433 525443111 /nfs/dbraw/zinc/44/31/11/525443111.db2.gz DCPOQMXFIIEYMQ-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCCC1 ZINC000068664709 525576505 /nfs/dbraw/zinc/57/65/05/525576505.db2.gz ACGWFGFJPYTKSA-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173430285 525580724 /nfs/dbraw/zinc/58/07/24/525580724.db2.gz AOBIKSRCBBWLSE-GXFFZTMASA-N 1 0 286.335 2.526 20 5 CFBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000305143721 525700276 /nfs/dbraw/zinc/70/02/76/525700276.db2.gz MXXCMPZXDUBTOE-RYUDHWBXSA-N 1 0 298.408 2.668 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245397290 526085142 /nfs/dbraw/zinc/08/51/42/526085142.db2.gz ORGFENHSZBSWPD-CZUORRHYSA-N 1 0 289.379 2.826 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171911660 526244936 /nfs/dbraw/zinc/24/49/36/526244936.db2.gz CADAJNXRKPOXOJ-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO [NH3+]C1(c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000166155161 527133069 /nfs/dbraw/zinc/13/30/69/527133069.db2.gz NAIPKUNMPXPYHY-UHFFFAOYSA-N 1 0 292.270 2.512 20 5 CFBDRO CC(=O)c1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420277776 527215756 /nfs/dbraw/zinc/21/57/56/527215756.db2.gz IVRHNVHXCSTGIM-VXGBXAGGSA-N 1 0 291.351 2.727 20 5 CFBDRO CC(C)([NH3+])CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414798157 527256782 /nfs/dbraw/zinc/25/67/82/527256782.db2.gz FHJRXHWWIGJBPT-UHFFFAOYSA-N 1 0 289.335 2.682 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCC(F)(F)F)cs1 ZINC000063099636 527329367 /nfs/dbraw/zinc/32/93/67/527329367.db2.gz GMMWAXSNEUAIJM-UHFFFAOYSA-N 1 0 254.233 2.698 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1Cl ZINC000230315382 527331535 /nfs/dbraw/zinc/33/15/35/527331535.db2.gz BMCNOLWYTTWEAO-JSGCOSHPSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000156318672 527349148 /nfs/dbraw/zinc/34/91/48/527349148.db2.gz XSKNHZKVXPERNN-MRXNPFEDSA-N 1 0 299.330 2.643 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccco2)c(F)c1 ZINC000311879059 527350505 /nfs/dbraw/zinc/35/05/05/527350505.db2.gz MUGLIMZTVFMAAL-UHFFFAOYSA-N 1 0 264.256 2.659 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CCOCC2)cc1 ZINC000361434219 527350723 /nfs/dbraw/zinc/35/07/23/527350723.db2.gz BSMJAVRKTITALY-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000230143600 527351007 /nfs/dbraw/zinc/35/10/07/527351007.db2.gz DKVOIVBSZJTBLV-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000367551486 527386978 /nfs/dbraw/zinc/38/69/78/527386978.db2.gz KCDLMTRGJRTFEA-AWEZNQCLSA-N 1 0 286.335 2.528 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccsc1 ZINC000049153162 527400315 /nfs/dbraw/zinc/40/03/15/527400315.db2.gz PRZIJAYWBQWETH-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H](CO)c2ccccc21 ZINC000364991809 527401464 /nfs/dbraw/zinc/40/14/64/527401464.db2.gz LRYZSBCSYRSWEC-CZUORRHYSA-N 1 0 298.342 2.905 20 5 CFBDRO Cc1ncsc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884511 527511275 /nfs/dbraw/zinc/51/12/75/527511275.db2.gz LCHXAMYBRCACMP-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000468606989 527528211 /nfs/dbraw/zinc/52/82/11/527528211.db2.gz ISVHVAOBTRQVJC-SNVZYIDKSA-N 1 0 290.363 2.747 20 5 CFBDRO CCC[N@H+](CC)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156770318 527980274 /nfs/dbraw/zinc/98/02/74/527980274.db2.gz UHMAEOMCLVIORX-CYBMUJFWSA-N 1 0 279.384 2.977 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449779355 536528823 /nfs/dbraw/zinc/52/88/23/536528823.db2.gz TVMQIAQPLLWWAQ-ZDUSSCGKSA-N 1 0 278.352 2.843 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449781006 536529048 /nfs/dbraw/zinc/52/90/48/536529048.db2.gz WNGCDDIRTKHDAJ-AWEZNQCLSA-N 1 0 278.352 2.843 20 5 CFBDRO CC(C)C[C@@H]([NH3+])CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414678340 528345266 /nfs/dbraw/zinc/34/52/66/528345266.db2.gz QHDNNIQPGSNCTE-CQSZACIVSA-N 1 0 291.395 2.933 20 5 CFBDRO CC(C)C[C@@H]([NH3+])CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000414711767 528347988 /nfs/dbraw/zinc/34/79/88/528347988.db2.gz MYFSMTYKTSZGRQ-CYBMUJFWSA-N 1 0 279.384 2.793 20 5 CFBDRO CCOc1ccc([C@@H](C)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423324104 528592846 /nfs/dbraw/zinc/59/28/46/528592846.db2.gz KFTGBUNKHRJAPE-LLVKDONJSA-N 1 0 293.367 2.526 20 5 CFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000413008964 529005158 /nfs/dbraw/zinc/00/51/58/529005158.db2.gz ZRCRQUWHTKHNPH-ZDUSSCGKSA-N 1 0 292.383 2.932 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(C)C ZINC000414522927 529184665 /nfs/dbraw/zinc/18/46/65/529184665.db2.gz GGXONWBDERVVBB-KGLIPLIRSA-N 1 0 284.331 2.619 20 5 CFBDRO CCC[C@H]([NH2+]CCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268794799 535703473 /nfs/dbraw/zinc/70/34/73/535703473.db2.gz DCQCURZMJCBNTN-AWEZNQCLSA-N 1 0 293.367 2.552 20 5 CFBDRO CCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435622711 535790284 /nfs/dbraw/zinc/79/02/84/535790284.db2.gz AEDDRASREPLNII-CQSZACIVSA-N 1 0 277.368 2.559 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000263795922 536307806 /nfs/dbraw/zinc/30/78/06/536307806.db2.gz OXHKYTPJHRYYKI-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443065924 536750419 /nfs/dbraw/zinc/75/04/19/536750419.db2.gz GWPPWVJVOLKEQS-JSGCOSHPSA-N 1 0 278.352 2.903 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000747576355 574201818 /nfs/dbraw/zinc/20/18/18/574201818.db2.gz RWGRMKDSJRASGT-ZDUSSCGKSA-N 1 0 292.335 2.626 20 5 CFBDRO Cc1cccc(C(=O)OCCCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000747765086 574211257 /nfs/dbraw/zinc/21/12/57/574211257.db2.gz XYLBIFWPXDFCOP-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccc(F)n1 ZINC000747938904 574221392 /nfs/dbraw/zinc/22/13/92/574221392.db2.gz PZXXRROGFBORPB-GQCTYLIASA-N 1 0 287.294 2.932 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000740861699 574271148 /nfs/dbraw/zinc/27/11/48/574271148.db2.gz XYUYGKCMWSJSHN-GHMZBOCLSA-N 1 0 274.324 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000756902998 574272057 /nfs/dbraw/zinc/27/20/57/574272057.db2.gz GVGNDJQMAZOUEW-AWEZNQCLSA-N 1 0 296.754 2.861 20 5 CFBDRO Cc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749641403 574303668 /nfs/dbraw/zinc/30/36/68/574303668.db2.gz YJYYFNQTIFIUEN-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO CCC[NH+](CCC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749939548 574316891 /nfs/dbraw/zinc/31/68/91/574316891.db2.gz ZPRKOYKMHMTGFP-UHFFFAOYSA-N 1 0 291.355 2.727 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056163 574322606 /nfs/dbraw/zinc/32/26/06/574322606.db2.gz YBEKQHVELCOXRO-TZMCWYRMSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074345 574323251 /nfs/dbraw/zinc/32/32/51/574323251.db2.gz WGZWGWXGBQIRSO-KYOSRNDESA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095490 574324158 /nfs/dbraw/zinc/32/41/58/574324158.db2.gz ZCJXVTIHTBZHDM-HIFRSBDPSA-N 1 0 278.352 2.606 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC1CCC1 ZINC000742385578 574326783 /nfs/dbraw/zinc/32/67/83/574326783.db2.gz JNEZICVQPUFBCC-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CC[NH2+]C(C)(C)C ZINC000936033205 649977078 /nfs/dbraw/zinc/97/70/78/649977078.db2.gz MABOSSOIDQPDHS-UHFFFAOYSA-N 1 0 293.367 2.928 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934396386 618029682 /nfs/dbraw/zinc/02/96/82/618029682.db2.gz OLNFANRTKDJAPL-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235119835 618102875 /nfs/dbraw/zinc/10/28/75/618102875.db2.gz JLMVOOVMVHOFLB-ZETCQYMHSA-N 1 0 275.711 2.749 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000891536385 617653648 /nfs/dbraw/zinc/65/36/48/617653648.db2.gz IMTLKYNGYGFCTR-UHFFFAOYSA-N 1 0 280.324 2.683 20 5 CFBDRO C[NH+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000308613583 617712356 /nfs/dbraw/zinc/71/23/56/617712356.db2.gz MOFSWHXODHECCE-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNCc1ccc(O)c(F)c1 ZINC000120501046 617713188 /nfs/dbraw/zinc/71/31/88/617713188.db2.gz VWHPMJWUTMJKHI-UHFFFAOYSA-N 1 0 276.267 2.729 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000176261586 617888169 /nfs/dbraw/zinc/88/81/69/617888169.db2.gz UWZZKLKYIJINHP-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000892146536 617971982 /nfs/dbraw/zinc/97/19/82/617971982.db2.gz WDIMHXPSLFVYNO-NSHDSACASA-N 1 0 292.335 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCO2)c(Cl)c1 ZINC000049963519 618054615 /nfs/dbraw/zinc/05/46/15/618054615.db2.gz VBDXMDWSLQOCRM-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000090794977 618195153 /nfs/dbraw/zinc/19/51/53/618195153.db2.gz NROUNMRJLWEAQR-VHSXEESVSA-N 1 0 267.304 2.629 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933372252 618212496 /nfs/dbraw/zinc/21/24/96/618212496.db2.gz IYWWLMZZFZIVPC-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO C[N@H+](CCC1CCOCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177020319 618252540 /nfs/dbraw/zinc/25/25/40/618252540.db2.gz JBDJGHXTCPOLDK-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000235528070 618365451 /nfs/dbraw/zinc/36/54/51/618365451.db2.gz VHULFADTUJKKBY-DMDPSCGWSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000158665083 618412230 /nfs/dbraw/zinc/41/22/30/618412230.db2.gz XRCUKNAYHDQCBH-UONOGXRCSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cc(C[C@@H]2CCC[NH2+]C2)on1 ZINC000901396749 620805378 /nfs/dbraw/zinc/80/53/78/620805378.db2.gz XJGURGKLVKOIIA-NSHDSACASA-N 1 0 287.319 2.792 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000895191008 618455529 /nfs/dbraw/zinc/45/55/29/618455529.db2.gz CUEBZOZLGNGOSS-QWHCGFSZSA-N 1 0 275.352 2.576 20 5 CFBDRO CC[C@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091735 618489213 /nfs/dbraw/zinc/48/92/13/618489213.db2.gz AGWHBKDIJQDKNH-LSDHHAIUSA-N 1 0 278.352 2.750 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[C@@H](C)[NH+](C)C ZINC000895290948 618511938 /nfs/dbraw/zinc/51/19/38/618511938.db2.gz WVFDXHLLWJIAPB-GFCCVEGCSA-N 1 0 279.384 2.641 20 5 CFBDRO COC(=O)/C(C)=C/C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795235182 618593452 /nfs/dbraw/zinc/59/34/52/618593452.db2.gz IRKIRLWBCPDYAK-PKNBQFBNSA-N 1 0 292.335 2.539 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NCCC[NH2+]C1CC1 ZINC000236168697 618608758 /nfs/dbraw/zinc/60/87/58/618608758.db2.gz NKDXGCKEBIPSAM-UHFFFAOYSA-N 1 0 287.722 2.941 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CCC[NH2+]CC1 ZINC000236186962 618609969 /nfs/dbraw/zinc/60/99/69/618609969.db2.gz HDTWZDJBRJPEOA-QMMMGPOBSA-N 1 0 287.722 2.941 20 5 CFBDRO COC[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178030492 618620071 /nfs/dbraw/zinc/62/00/71/618620071.db2.gz KOVGPISXKAUBKY-SNVBAGLBSA-N 1 0 286.759 2.963 20 5 CFBDRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892608643 618652846 /nfs/dbraw/zinc/65/28/46/618652846.db2.gz RMXAXVJJJXNPAN-PWSUYJOCSA-N 1 0 299.168 2.858 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1CCO ZINC000311374188 618709182 /nfs/dbraw/zinc/70/91/82/618709182.db2.gz VJVFYBREOKFJTD-LBPRGKRZSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000311764169 618722668 /nfs/dbraw/zinc/72/26/68/618722668.db2.gz WMFSPIHAMOIKNB-NEPJUHHUSA-N 1 0 264.325 2.815 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000892745426 618738395 /nfs/dbraw/zinc/73/83/95/618738395.db2.gz PJSXQILHOSTCKD-NSHDSACASA-N 1 0 292.335 2.755 20 5 CFBDRO CCC[C@@H](CC)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892941753 618775144 /nfs/dbraw/zinc/77/51/44/618775144.db2.gz IIDVOTBEFCTBTP-LLVKDONJSA-N 1 0 282.340 2.977 20 5 CFBDRO CCCC1(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000893124962 618839399 /nfs/dbraw/zinc/83/93/99/618839399.db2.gz ABRUCQUVBLSPQN-UHFFFAOYSA-N 1 0 294.351 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1Cl ZINC000840978037 619207342 /nfs/dbraw/zinc/20/73/42/619207342.db2.gz KYNFPYGNGGXFBR-RYUDHWBXSA-N 1 0 298.770 2.889 20 5 CFBDRO C[N@H+](CC[N+](=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000791055463 619275414 /nfs/dbraw/zinc/27/54/14/619275414.db2.gz UMUZSESCFBVCGA-UHFFFAOYSA-N 1 0 268.316 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2ccncc2)c1 ZINC000048261734 619314957 /nfs/dbraw/zinc/31/49/57/619314957.db2.gz IKRSGBWCCNQXNS-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C[NH3+] ZINC000261935809 619329228 /nfs/dbraw/zinc/32/92/28/619329228.db2.gz MAHSBRBJCWJHLP-IINYFYTJSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)CC1CCC1 ZINC000894585445 619424445 /nfs/dbraw/zinc/42/44/45/619424445.db2.gz ROOVOVMTMBBVBZ-ZDUSSCGKSA-N 1 0 298.770 2.889 20 5 CFBDRO C[NH+]1C[C@]2(C)CN(c3ccc([N+](=O)[O-])cc3F)C[C@@]2(C)C1 ZINC000894797030 619468739 /nfs/dbraw/zinc/46/87/39/619468739.db2.gz HWPCFVLTRNEXPT-HUUCEWRRSA-N 1 0 293.342 2.512 20 5 CFBDRO Cc1c(C[NH2+]CCO[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000894792415 619470027 /nfs/dbraw/zinc/47/00/27/619470027.db2.gz BOYGMDZWSDSCES-HNNXBMFYSA-N 1 0 294.351 2.536 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000894847318 619481753 /nfs/dbraw/zinc/48/17/53/619481753.db2.gz CEHMWTZWFNEOAH-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO CCC[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057652 619537724 /nfs/dbraw/zinc/53/77/24/619537724.db2.gz GZIVYZSPPBAFNY-JTQLQIEISA-N 1 0 269.370 2.543 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895736316 619597177 /nfs/dbraw/zinc/59/71/77/619597177.db2.gz KUKUCAIMEBWSTN-JQWIXIFHSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895736315 619597316 /nfs/dbraw/zinc/59/73/16/619597316.db2.gz KUKUCAIMEBWSTN-CMPLNLGQSA-N 1 0 286.335 2.648 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896609239 619773402 /nfs/dbraw/zinc/77/34/02/619773402.db2.gz YLBWVKJVZOAZIT-SECBINFHSA-N 1 0 293.323 2.639 20 5 CFBDRO Cc1n[nH]c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897459993 620176305 /nfs/dbraw/zinc/17/63/05/620176305.db2.gz PWHWIGOBSIYGBB-JTQLQIEISA-N 1 0 288.351 2.828 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000897461398 620176745 /nfs/dbraw/zinc/17/67/45/620176745.db2.gz ODBHSPLGSQJHNQ-NEPJUHHUSA-N 1 0 286.335 2.839 20 5 CFBDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465237 620177067 /nfs/dbraw/zinc/17/70/67/620177067.db2.gz UJXWQNOCMNTZFG-BYNQJWBRSA-N 1 0 278.352 2.854 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463685 620177218 /nfs/dbraw/zinc/17/72/18/620177218.db2.gz BJKHRLXLDYRFCR-JHJVBQTASA-N 1 0 278.352 2.855 20 5 CFBDRO CC(C)[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000054112455 620218678 /nfs/dbraw/zinc/21/86/78/620218678.db2.gz XPGNQBVQYWTTMM-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO Cc1c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000897534194 620221160 /nfs/dbraw/zinc/22/11/60/620221160.db2.gz QVSRPFLYGBUSEI-BBRMVZONSA-N 1 0 292.379 2.934 20 5 CFBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000841034346 620264853 /nfs/dbraw/zinc/26/48/53/620264853.db2.gz XFWBKIQHOBXAIS-MNOVXSKESA-N 1 0 297.786 2.726 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897808833 620288452 /nfs/dbraw/zinc/28/84/52/620288452.db2.gz GPIMZEVOAHAUEZ-QXJJFIIZSA-N 1 0 294.738 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897821644 620290316 /nfs/dbraw/zinc/29/03/16/620290316.db2.gz KURLMOLFUMIBOR-QXJJFIIZSA-N 1 0 294.738 2.514 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897984795 620318484 /nfs/dbraw/zinc/31/84/84/620318484.db2.gz HBXJNRHVWCGNDJ-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CC1 ZINC000898203946 620344411 /nfs/dbraw/zinc/34/44/11/620344411.db2.gz LMDZLBGXIVSUHM-LRDDRELGSA-N 1 0 292.379 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]2C2CCCC2)cc1 ZINC000899912296 620612608 /nfs/dbraw/zinc/61/26/08/620612608.db2.gz HONWMVSCPNIABN-JKSUJKDBSA-N 1 0 290.363 2.893 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000900019517 620623919 /nfs/dbraw/zinc/62/39/19/620623919.db2.gz CBIFGZQMFKHLCT-IUODEOHRSA-N 1 0 299.330 2.640 20 5 CFBDRO C[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000902432729 621078205 /nfs/dbraw/zinc/07/82/05/621078205.db2.gz XAMDMSRMMSPFIP-UMVBOHGHSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC1(C)C ZINC000902450494 621091369 /nfs/dbraw/zinc/09/13/69/621091369.db2.gz SPCASIOEQQOZPA-WFASDCNBSA-N 1 0 291.395 2.504 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903082090 621245720 /nfs/dbraw/zinc/24/57/20/621245720.db2.gz XWXJRAHIHWQGSG-FZMZJTMJSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903102943 621254097 /nfs/dbraw/zinc/25/40/97/621254097.db2.gz CZSBHIYWTJJRHK-ABAIWWIYSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc([N+](=O)[O-])c1 ZINC000903110610 621257047 /nfs/dbraw/zinc/25/70/47/621257047.db2.gz PNOIXLKOOSAMIE-IAQYHMDHSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc([N+](=O)[O-])c1 ZINC000903129691 621263438 /nfs/dbraw/zinc/26/34/38/621263438.db2.gz IADIFPFKQXKYAQ-VHSXEESVSA-N 1 0 290.323 2.738 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc([N+](=O)[O-])c1 ZINC000903153841 621268848 /nfs/dbraw/zinc/26/88/48/621268848.db2.gz OQYQRCVJTLNEPN-BXUZGUMPSA-N 1 0 292.335 2.947 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903172027 621273881 /nfs/dbraw/zinc/27/38/81/621273881.db2.gz LXJHSKBMRUOLTL-ZWNOBZJWSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903177370 621275268 /nfs/dbraw/zinc/27/52/68/621275268.db2.gz LXZWSPBEIFJANI-BMIGLBTASA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC2=CCOCC2)cc([N+](=O)[O-])c1 ZINC000903177074 621275381 /nfs/dbraw/zinc/27/53/81/621275381.db2.gz HEYZUUJTMLMNDK-NSHDSACASA-N 1 0 292.335 2.601 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[C@@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903177675 621275976 /nfs/dbraw/zinc/27/59/76/621275976.db2.gz RBVJHMRUHLIWFV-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CCCCO)cc([N+](=O)[O-])c1 ZINC000903180208 621276598 /nfs/dbraw/zinc/27/65/98/621276598.db2.gz XKJYLBCZSSJARO-VXGBXAGGSA-N 1 0 296.367 2.805 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903185373 621278723 /nfs/dbraw/zinc/27/87/23/621278723.db2.gz IVNMYENHMJDPQZ-KMUNFCNLSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc([N+](=O)[O-])c1 ZINC000903192331 621280290 /nfs/dbraw/zinc/28/02/90/621280290.db2.gz LLXZPDAMPUIQTI-NOZJJQNGSA-N 1 0 262.309 2.807 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CC23CC3)cc([N+](=O)[O-])c1 ZINC000903192332 621280343 /nfs/dbraw/zinc/28/03/43/621280343.db2.gz LLXZPDAMPUIQTI-RNCFNFMXSA-N 1 0 262.309 2.807 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc([N+](=O)[O-])c1 ZINC000903194881 621281538 /nfs/dbraw/zinc/28/15/38/621281538.db2.gz RLKUCAOODHWZAG-VHIFSBLJSA-N 1 0 292.335 2.574 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903201179 621284246 /nfs/dbraw/zinc/28/42/46/621284246.db2.gz WTPHSAXLVMOOGW-JQWIXIFHSA-N 1 0 262.309 2.973 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903210153 621289035 /nfs/dbraw/zinc/28/90/35/621289035.db2.gz UELODLOIOGZABU-AAEUAGOBSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC000903397718 621356854 /nfs/dbraw/zinc/35/68/54/621356854.db2.gz YQLIZTJTNRVXKF-COPLHBTASA-N 1 0 264.325 2.589 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903435957 621374184 /nfs/dbraw/zinc/37/41/84/621374184.db2.gz GFXDDWUCZCNEMB-VQISRLSMSA-N 1 0 276.336 2.670 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903470889 621389189 /nfs/dbraw/zinc/38/91/89/621389189.db2.gz PCULLJJFKUAHDY-CYBMUJFWSA-N 1 0 295.770 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000903471338 621389644 /nfs/dbraw/zinc/38/96/44/621389644.db2.gz IYDYZZDFYBAUJU-WFASDCNBSA-N 1 0 289.379 2.838 20 5 CFBDRO Cc1ccc(CN2CCC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903799143 621444005 /nfs/dbraw/zinc/44/40/05/621444005.db2.gz BOYVCTBFDJZNGS-HOCLYGCPSA-N 1 0 289.379 2.607 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@]12CC[NH2+]C2 ZINC000903865700 621453572 /nfs/dbraw/zinc/45/35/72/621453572.db2.gz FDQGNFMOWWXMPQ-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO [NH3+][C@H](CC(F)F)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000903884000 621463718 /nfs/dbraw/zinc/46/37/18/621463718.db2.gz OPYHNKCOLRIXTI-LLVKDONJSA-N 1 0 299.321 2.542 20 5 CFBDRO [NH3+][C@@H](CC(F)F)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000903882755 621464053 /nfs/dbraw/zinc/46/40/53/621464053.db2.gz BLWTWDSHJLKCGU-NSHDSACASA-N 1 0 299.321 2.542 20 5 CFBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000905036412 621684114 /nfs/dbraw/zinc/68/41/14/621684114.db2.gz GNBCGISJDZDPGI-UHFFFAOYSA-N 1 0 286.331 2.632 20 5 CFBDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905102819 621699831 /nfs/dbraw/zinc/69/98/31/621699831.db2.gz HUJYSSSHBYLPMK-SECBINFHSA-N 1 0 276.258 2.503 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832778064 625512963 /nfs/dbraw/zinc/51/29/63/625512963.db2.gz GWKYORHWIXKUKS-ZDUSSCGKSA-N 1 0 295.358 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(CC3CC3)CC2)cc1 ZINC000905422462 621765202 /nfs/dbraw/zinc/76/52/02/621765202.db2.gz HPFKYPUSMSRSNW-OAHLLOKOSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000905516707 621788046 /nfs/dbraw/zinc/78/80/46/621788046.db2.gz ALQTVRTXHBXROD-UAXWRAGISA-N 1 0 290.363 2.654 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(OCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000906508463 621995159 /nfs/dbraw/zinc/99/51/59/621995159.db2.gz YXKUSRIIQAYZNM-GFCCVEGCSA-N 1 0 294.351 2.857 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000222948647 622976759 /nfs/dbraw/zinc/97/67/59/622976759.db2.gz DBEXKIKWWYEZBA-GXTWGEPZSA-N 1 0 280.368 2.961 20 5 CFBDRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000168441358 623094919 /nfs/dbraw/zinc/09/49/19/623094919.db2.gz ZCKOLTLXNWXRNW-OCCSQVGLSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CCC(O)CC2)c1 ZINC000227623325 623114174 /nfs/dbraw/zinc/11/41/74/623114174.db2.gz DMWSTBQPRJZGNB-UHFFFAOYSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000822644841 623141965 /nfs/dbraw/zinc/14/19/65/623141965.db2.gz YNXPJJNJEZEDLM-VXGBXAGGSA-N 1 0 288.307 2.500 20 5 CFBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000822654900 623143468 /nfs/dbraw/zinc/14/34/68/623143468.db2.gz SZTQNRUSLMDCMX-NWDGAFQWSA-N 1 0 288.307 2.500 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000822654899 623143548 /nfs/dbraw/zinc/14/35/48/623143548.db2.gz SZTQNRUSLMDCMX-NEPJUHHUSA-N 1 0 288.307 2.500 20 5 CFBDRO CSC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000229360471 623200647 /nfs/dbraw/zinc/20/06/47/623200647.db2.gz ARNQPBXAKRWJMW-SECBINFHSA-N 1 0 254.355 2.744 20 5 CFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823179241 623254104 /nfs/dbraw/zinc/25/41/04/623254104.db2.gz JMEZNPBDZQRQRN-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000062350965 623265530 /nfs/dbraw/zinc/26/55/30/623265530.db2.gz SYLXFDFNAHACKO-JMSVASOKSA-N 1 0 278.352 2.606 20 5 CFBDRO CCCC[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351029 623265570 /nfs/dbraw/zinc/26/55/70/623265570.db2.gz MINPHNNXSUWXNP-CQSZACIVSA-N 1 0 266.341 2.750 20 5 CFBDRO CN(CC[NH+]1CCCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063051878 623315045 /nfs/dbraw/zinc/31/50/45/623315045.db2.gz MNTZFUMQVIYKLX-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO CC(C)C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000232677411 623455579 /nfs/dbraw/zinc/45/55/79/623455579.db2.gz MYQVEGNSTHYLIM-AWEZNQCLSA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1c(C[NH2+]C[C@@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000094802018 623583348 /nfs/dbraw/zinc/58/33/48/623583348.db2.gz OPXRPLLUDGWBLB-CQSZACIVSA-N 1 0 264.325 2.562 20 5 CFBDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000211479564 623623966 /nfs/dbraw/zinc/62/39/66/623623966.db2.gz GFAXZNTVNPQICN-UHFFFAOYSA-N 1 0 299.758 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(O)CC2)cc1Cl ZINC000827516165 624021545 /nfs/dbraw/zinc/02/15/45/624021545.db2.gz XEPSZQPJHPYHAL-UHFFFAOYSA-N 1 0 298.770 2.889 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CCCC[N@@H+]1C ZINC000915667925 624093593 /nfs/dbraw/zinc/09/35/93/624093593.db2.gz YHXPWOFVIJRHOH-LBPRGKRZSA-N 1 0 294.351 2.857 20 5 CFBDRO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000090721327 624142431 /nfs/dbraw/zinc/14/24/31/624142431.db2.gz DFICFZBCWKSVLA-PWSUYJOCSA-N 1 0 297.786 2.821 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1CSCC1CC[NH2+]CC1 ZINC000830477566 624757285 /nfs/dbraw/zinc/75/72/85/624757285.db2.gz VMGIMZSATSMZAG-UHFFFAOYSA-N 1 0 284.356 2.967 20 5 CFBDRO Cc1cc(C(=O)OCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000920840507 624775683 /nfs/dbraw/zinc/77/56/83/624775683.db2.gz ZXNUUQROZYBGIP-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000179848717 624980402 /nfs/dbraw/zinc/98/04/02/624980402.db2.gz QIUKGLIKWLZVJM-SNVBAGLBSA-N 1 0 282.315 2.639 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834884180 625909061 /nfs/dbraw/zinc/90/90/61/625909061.db2.gz WOHGXYICHNAASA-FOGDFJRCSA-N 1 0 263.341 2.874 20 5 CFBDRO C[N@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1[N+](=O)[O-] ZINC000851714896 634484478 /nfs/dbraw/zinc/48/44/78/634484478.db2.gz JMVZISDOKGJDDB-ZDUSSCGKSA-N 1 0 294.351 2.568 20 5 CFBDRO COCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000066995984 626224944 /nfs/dbraw/zinc/22/49/44/626224944.db2.gz XZBGBLAHXQCZNK-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCO[C@H]2CCCCO2)c1 ZINC000922230395 626245809 /nfs/dbraw/zinc/24/58/09/626245809.db2.gz WIZSRKLLKIGRAA-HNNXBMFYSA-N 1 0 294.351 2.618 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000922820378 626373660 /nfs/dbraw/zinc/37/36/60/626373660.db2.gz OYSSZOHRWHMZAF-OAHLLOKOSA-N 1 0 294.351 2.652 20 5 CFBDRO COC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000922949159 626431242 /nfs/dbraw/zinc/43/12/42/626431242.db2.gz BSCVBKKXPSQWEH-LLVKDONJSA-N 1 0 272.370 2.665 20 5 CFBDRO COc1cc(C[NH2+]C[C@]23C[C@H]2CCC3)c([N+](=O)[O-])cc1O ZINC000922964878 626435380 /nfs/dbraw/zinc/43/53/80/626435380.db2.gz HFMRXPHDVQBMFG-ABAIWWIYSA-N 1 0 292.335 2.589 20 5 CFBDRO CN(CCC[NH2+]C1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000923301789 626464486 /nfs/dbraw/zinc/46/44/86/626464486.db2.gz OQONUVNHDTXKFE-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(CCC[NH2+]C2CC2)C2CC2)cc1 ZINC000923373655 626469211 /nfs/dbraw/zinc/46/92/11/626469211.db2.gz OHSPVVAGDQAHGO-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536272 626478941 /nfs/dbraw/zinc/47/89/41/626478941.db2.gz AZLMCNRKVNXADQ-CZUORRHYSA-N 1 0 289.379 2.874 20 5 CFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658363 626549825 /nfs/dbraw/zinc/54/98/25/626549825.db2.gz LXVGVHNZXCRIEU-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000843060458 626553805 /nfs/dbraw/zinc/55/38/05/626553805.db2.gz KGMUAWFDOWTQFG-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293128 626821581 /nfs/dbraw/zinc/82/15/81/626821581.db2.gz RMBUOQKQFSBICA-GHMZBOCLSA-N 1 0 288.351 2.941 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520969 626842332 /nfs/dbraw/zinc/84/23/32/626842332.db2.gz HEKGKRWXESUEJX-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000761527911 626842713 /nfs/dbraw/zinc/84/27/13/626842713.db2.gz SFQKQOFUUCSJLW-LBPRGKRZSA-N 1 0 270.716 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(CC[NH+]2CCCC2)C2CC2)cc1 ZINC000764493715 627066286 /nfs/dbraw/zinc/06/62/86/627066286.db2.gz SJYAUEPQUWTBDH-UHFFFAOYSA-N 1 0 289.379 2.655 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000764767403 627092247 /nfs/dbraw/zinc/09/22/47/627092247.db2.gz IRXZBSXMGMNXPG-BXUZGUMPSA-N 1 0 290.319 2.880 20 5 CFBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049303 627115741 /nfs/dbraw/zinc/11/57/41/627115741.db2.gz OGOKYELCZCNMBU-PHIMTYICSA-N 1 0 288.351 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000765348826 627132256 /nfs/dbraw/zinc/13/22/56/627132256.db2.gz JVIGSSVTVIKFMY-UHFFFAOYSA-N 1 0 289.379 2.953 20 5 CFBDRO C[C@@H]1[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000771459444 627606076 /nfs/dbraw/zinc/60/60/76/627606076.db2.gz KHMRGLCBTWKWDW-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625804 627942610 /nfs/dbraw/zinc/94/26/10/627942610.db2.gz GEDMVPUTILAXEQ-UHFFFAOYSA-N 1 0 282.731 2.897 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774853039 627971900 /nfs/dbraw/zinc/97/19/00/627971900.db2.gz MLUBDXNCGYGJGN-NSHDSACASA-N 1 0 279.296 2.877 20 5 CFBDRO C[C@H]1CCCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732790 628060272 /nfs/dbraw/zinc/06/02/72/628060272.db2.gz VTLSONXUTJYOLP-WFASDCNBSA-N 1 0 278.352 2.750 20 5 CFBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581815 628160334 /nfs/dbraw/zinc/16/03/34/628160334.db2.gz MOPHGTJVOICXOX-AWEZNQCLSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000776581900 628160547 /nfs/dbraw/zinc/16/05/47/628160547.db2.gz OMYRTFKQOSOZPC-HUUCEWRRSA-N 1 0 276.336 2.503 20 5 CFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000776580064 628160710 /nfs/dbraw/zinc/16/07/10/628160710.db2.gz QVVWXPIQSXCAKG-DOMZBBRYSA-N 1 0 280.368 2.995 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599232 628163806 /nfs/dbraw/zinc/16/38/06/628163806.db2.gz XODGVYFLMKFKGC-UXIGCNINSA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776598569 628164116 /nfs/dbraw/zinc/16/41/16/628164116.db2.gz RNJVUYKIGQOCLL-LALPHHSUSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1nn(CN2CC[C@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000779867777 628415274 /nfs/dbraw/zinc/41/52/74/628415274.db2.gz DCSAERXVBVBETO-NSHDSACASA-N 1 0 278.356 2.569 20 5 CFBDRO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783636335 628729042 /nfs/dbraw/zinc/72/90/42/628729042.db2.gz OPIDQIMQJPCFCK-UHFFFAOYSA-N 1 0 294.742 2.754 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1Cl ZINC000783649467 628730366 /nfs/dbraw/zinc/73/03/66/628730366.db2.gz YRNDETJLUSUZLO-XYPYZODXSA-N 1 0 284.743 2.641 20 5 CFBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659053 628731642 /nfs/dbraw/zinc/73/16/42/628731642.db2.gz FYLYMOQUIXPDID-JQWIXIFHSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783656450 628731655 /nfs/dbraw/zinc/73/16/55/628731655.db2.gz UMKLWVZZHOEOCM-LLVKDONJSA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783667930 628732621 /nfs/dbraw/zinc/73/26/21/628732621.db2.gz VCYHNRLMOFYHRM-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783678933 628733932 /nfs/dbraw/zinc/73/39/32/628733932.db2.gz BLHJWSOBUJBUNC-CYBMUJFWSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000783680285 628733957 /nfs/dbraw/zinc/73/39/57/628733957.db2.gz WAIYTQDHKBHYOG-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1O ZINC000783731251 628739189 /nfs/dbraw/zinc/73/91/89/628739189.db2.gz YYWMBTMBCRYBOA-CYBMUJFWSA-N 1 0 298.770 2.841 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513654 628822886 /nfs/dbraw/zinc/82/28/86/628822886.db2.gz DRNKUFHCVCROFT-UKRRQHHQSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1ccc(C(=O)OCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000787972669 629045200 /nfs/dbraw/zinc/04/52/00/629045200.db2.gz OYWSHXOZZYTZAV-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589646 629084085 /nfs/dbraw/zinc/08/40/85/629084085.db2.gz SHGNCNSIUGSLAL-VXGBXAGGSA-N 1 0 294.399 2.558 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595046 629085280 /nfs/dbraw/zinc/08/52/80/629085280.db2.gz ZGENMPYAYKFZMB-ZIBATOQPSA-N 1 0 295.383 2.625 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788607713 629086750 /nfs/dbraw/zinc/08/67/50/629086750.db2.gz CCPFIWAHNXWMNV-NTZNESFSSA-N 1 0 295.383 2.625 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000788673677 629091130 /nfs/dbraw/zinc/09/11/30/629091130.db2.gz XCNYIAPMDIRCIW-VZJVUDMVSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788685669 629092493 /nfs/dbraw/zinc/09/24/93/629092493.db2.gz JNJRWODXCYKJBU-LSCVPOLPSA-N 1 0 293.367 2.784 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000789450737 629157737 /nfs/dbraw/zinc/15/77/37/629157737.db2.gz PMEYRXDBMDBIAQ-IATRGZMQSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000791054645 629284064 /nfs/dbraw/zinc/28/40/64/629284064.db2.gz MYEHPVSCPATRHU-CYBMUJFWSA-N 1 0 252.289 2.533 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000791053341 629284292 /nfs/dbraw/zinc/28/42/92/629284292.db2.gz DONSWLIVJDPOML-UHFFFAOYSA-N 1 0 288.269 2.951 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000791052457 629284316 /nfs/dbraw/zinc/28/43/16/629284316.db2.gz OFJWCKJQQZQVBS-STQMWFEESA-N 1 0 298.408 2.693 20 5 CFBDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791052394 629284388 /nfs/dbraw/zinc/28/43/88/629284388.db2.gz MVGUERSRLFQLAS-UHFFFAOYSA-N 1 0 287.363 2.932 20 5 CFBDRO O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000792563896 629434602 /nfs/dbraw/zinc/43/46/02/629434602.db2.gz GHJATVSPKWZSMQ-UHFFFAOYSA-N 1 0 297.270 2.600 20 5 CFBDRO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793249142 629513412 /nfs/dbraw/zinc/51/34/12/629513412.db2.gz DPFYZCHCPMKMOG-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO CC[C@@H]1CC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000793820997 629597874 /nfs/dbraw/zinc/59/78/74/629597874.db2.gz NVPZZENYCGYWJD-CQSZACIVSA-N 1 0 286.335 2.900 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000794685956 629674797 /nfs/dbraw/zinc/67/47/97/629674797.db2.gz OKEKKICZYNQOQN-LLVKDONJSA-N 1 0 266.345 2.568 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(F)(F)CC2)c1 ZINC000796543085 629932972 /nfs/dbraw/zinc/93/29/72/629932972.db2.gz PGIIUCNIBCIWFU-UHFFFAOYSA-N 1 0 286.278 2.705 20 5 CFBDRO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797126946 630022405 /nfs/dbraw/zinc/02/24/05/630022405.db2.gz CNTVPGZSKLCKRM-WBMJQRKESA-N 1 0 289.379 2.952 20 5 CFBDRO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000804503225 630688653 /nfs/dbraw/zinc/68/86/53/630688653.db2.gz HAHKOLHUPRWSCY-SNVBAGLBSA-N 1 0 280.372 2.565 20 5 CFBDRO CN(CCC[NH+](C)C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804594631 630763056 /nfs/dbraw/zinc/76/30/56/630763056.db2.gz JGPFGDMJLHQCNN-UHFFFAOYSA-N 1 0 271.748 2.636 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807925146 630922909 /nfs/dbraw/zinc/92/29/09/630922909.db2.gz JFRKKLAWZGXVMY-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C(C)C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000809560576 631234386 /nfs/dbraw/zinc/23/43/86/631234386.db2.gz MKFPJOXMVILDOH-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840872238 631247185 /nfs/dbraw/zinc/24/71/85/631247185.db2.gz IOLJOHUNAGIQBP-HNCHTBHHSA-N 1 0 293.367 2.641 20 5 CFBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809734626 631273609 /nfs/dbraw/zinc/27/36/09/631273609.db2.gz IXCHILAUFGMCRI-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO [NH3+]CCN(Cc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000809734344 631273737 /nfs/dbraw/zinc/27/37/37/631273737.db2.gz BHNBJBBVQRDZRG-UHFFFAOYSA-N 1 0 295.726 2.807 20 5 CFBDRO [NH3+]CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734449 631274183 /nfs/dbraw/zinc/27/41/83/631274183.db2.gz DUONOEGCKJLZGQ-UHFFFAOYSA-N 1 0 289.310 2.699 20 5 CFBDRO C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000841034247 631314760 /nfs/dbraw/zinc/31/47/60/631314760.db2.gz WRBJIGOLPPEVJE-ZYHUDNBSSA-N 1 0 297.786 2.726 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841038178 631316485 /nfs/dbraw/zinc/31/64/85/631316485.db2.gz GUXZKEGWAXJGHW-NSHDSACASA-N 1 0 285.775 2.711 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1NCc1ccn2ccnc2c1 ZINC000811817672 631627498 /nfs/dbraw/zinc/62/74/98/631627498.db2.gz YVVXDQRZVYFWGU-UHFFFAOYSA-N 1 0 286.266 2.994 20 5 CFBDRO [NH3+]C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476218 631640492 /nfs/dbraw/zinc/64/04/92/631640492.db2.gz JLPJKZBQWISYGW-CQSZACIVSA-N 1 0 295.358 2.731 20 5 CFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1F ZINC000843053548 631817821 /nfs/dbraw/zinc/81/78/21/631817821.db2.gz BPABMPXIOLNWPA-YHWZYXNKSA-N 1 0 293.342 2.578 20 5 CFBDRO CCC[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843058430 631821910 /nfs/dbraw/zinc/82/19/10/631821910.db2.gz SOEAVFXTYLLHRM-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO [NH3+]CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843122376 631842099 /nfs/dbraw/zinc/84/20/99/631842099.db2.gz BQXDUXFEXNFTFT-GFCCVEGCSA-N 1 0 297.786 2.952 20 5 CFBDRO CCC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218902 631901110 /nfs/dbraw/zinc/90/11/10/631901110.db2.gz JTAGIJAQUGARHJ-SSDOTTSWSA-N 1 0 282.325 2.767 20 5 CFBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C[NH+](C)C ZINC000813614531 631941846 /nfs/dbraw/zinc/94/18/46/631941846.db2.gz KFEXMDQJCKOLEN-VIFPVBQESA-N 1 0 294.380 2.814 20 5 CFBDRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576753 632291146 /nfs/dbraw/zinc/29/11/46/632291146.db2.gz XTFATZQCXLBUQO-QMMMGPOBSA-N 1 0 292.364 2.793 20 5 CFBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588207 632293069 /nfs/dbraw/zinc/29/30/69/632293069.db2.gz GWGOZPXYRIYCCV-WOPDTQHZSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000815599039 632295300 /nfs/dbraw/zinc/29/53/00/632295300.db2.gz JHDJZOIYNUVQCI-UWVGGRQHSA-N 1 0 274.324 2.917 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815645931 632304061 /nfs/dbraw/zinc/30/40/61/632304061.db2.gz UTVWGSJHPJATTO-DTWKUNHWSA-N 1 0 255.293 2.576 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000816660797 632507705 /nfs/dbraw/zinc/50/77/05/632507705.db2.gz PSFNENNIJAXGRP-LBPRGKRZSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1Cl ZINC000816666975 632508165 /nfs/dbraw/zinc/50/81/65/632508165.db2.gz YWSYUQRGXQTSEW-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818359458 632838142 /nfs/dbraw/zinc/83/81/42/632838142.db2.gz KVULMFJDEQLMKT-IXLVHKGHSA-N 1 0 261.325 2.626 20 5 CFBDRO CCSCC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819123746 632975313 /nfs/dbraw/zinc/97/53/13/632975313.db2.gz BKDSLODPFBKCPD-FZMZJTMJSA-N 1 0 298.408 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000819186710 633006249 /nfs/dbraw/zinc/00/62/49/633006249.db2.gz WAZAVNGBWIOUHP-HNNXBMFYSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2(F)CCC2)c1 ZINC000819310994 633069447 /nfs/dbraw/zinc/06/94/47/633069447.db2.gz GJYRSKACQYDBRX-CYBMUJFWSA-N 1 0 282.315 2.500 20 5 CFBDRO C[C@@H](COC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847958636 633165854 /nfs/dbraw/zinc/16/58/54/633165854.db2.gz LRQOIKCZWAJJJJ-LBPRGKRZSA-N 1 0 292.335 2.626 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480675 633264911 /nfs/dbraw/zinc/26/49/11/633264911.db2.gz QGHCJAFVLSBROA-GFCCVEGCSA-N 1 0 286.335 2.900 20 5 CFBDRO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530851 633279012 /nfs/dbraw/zinc/27/90/12/633279012.db2.gz HLZSZWGITYFWFW-IUODEOHRSA-N 1 0 289.379 2.656 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1cccnc1 ZINC000848531762 633279059 /nfs/dbraw/zinc/27/90/59/633279059.db2.gz VXYTZNXBHRGJKZ-OAHLLOKOSA-N 1 0 299.330 2.646 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848786260 633343393 /nfs/dbraw/zinc/34/33/93/633343393.db2.gz PXERXYGCOAVPAG-GXTWGEPZSA-N 1 0 290.367 2.606 20 5 CFBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000848929076 633412289 /nfs/dbraw/zinc/41/22/89/633412289.db2.gz SJURLTLGRBWAHN-SECBINFHSA-N 1 0 284.743 2.593 20 5 CFBDRO [NH2+]=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCCC1 ZINC000849012617 633461079 /nfs/dbraw/zinc/46/10/79/633461079.db2.gz DTOSGLSRUGBLOX-UHFFFAOYSA-N 1 0 296.758 2.758 20 5 CFBDRO Cn1cc(C[NH2+][C@H]2C=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000850358795 633954479 /nfs/dbraw/zinc/95/44/79/633954479.db2.gz LRNXFHRMVHXUQP-AWEZNQCLSA-N 1 0 298.346 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368257 633958826 /nfs/dbraw/zinc/95/88/26/633958826.db2.gz APBLGGXPGCCUIB-JKSUJKDBSA-N 1 0 284.315 2.863 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C=CCC1 ZINC000850511457 634025128 /nfs/dbraw/zinc/02/51/28/634025128.db2.gz FNHWLAMDJGGUOJ-NEPJUHHUSA-N 1 0 289.335 2.620 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C=CCC1 ZINC000850511459 634025393 /nfs/dbraw/zinc/02/53/93/634025393.db2.gz FNHWLAMDJGGUOJ-RYUDHWBXSA-N 1 0 289.335 2.620 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850523416 634031095 /nfs/dbraw/zinc/03/10/95/634031095.db2.gz IQYUKIANQHPUFA-PWSUYJOCSA-N 1 0 291.351 2.539 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537706 634042689 /nfs/dbraw/zinc/04/26/89/634042689.db2.gz XNZFAWMYOAYRIT-UFBFGSQYSA-N 1 0 285.294 2.873 20 5 CFBDRO CCC[NH2+][C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504868 634069830 /nfs/dbraw/zinc/06/98/30/634069830.db2.gz HLIXHSBVEVQAPH-VIFPVBQESA-N 1 0 276.296 2.705 20 5 CFBDRO Cc1cc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000853245389 634950067 /nfs/dbraw/zinc/95/00/67/634950067.db2.gz UTFWNSJJBOBCHT-NSHDSACASA-N 1 0 283.397 2.743 20 5 CFBDRO CC[C@H]([NH2+]C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000854159461 635235258 /nfs/dbraw/zinc/23/52/58/635235258.db2.gz CHZSEHWVVIBTAD-JTQLQIEISA-N 1 0 276.296 2.624 20 5 CFBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512569 636018029 /nfs/dbraw/zinc/01/80/29/636018029.db2.gz NCYJDEQTLAAUDP-OCCSQVGLSA-N 1 0 286.335 2.627 20 5 CFBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858529172 636283464 /nfs/dbraw/zinc/28/34/64/636283464.db2.gz PDNBCJMRFKTBOW-DMZJWBPISA-N 1 0 293.367 2.640 20 5 CFBDRO Nc1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000858781998 636345609 /nfs/dbraw/zinc/34/56/09/636345609.db2.gz XIGDDBYELTVYEZ-ZDUSSCGKSA-N 1 0 290.367 2.606 20 5 CFBDRO Cc1c(F)nccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000862282146 637310241 /nfs/dbraw/zinc/31/02/41/637310241.db2.gz CWHNPWIQKSVCHD-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862386974 637350098 /nfs/dbraw/zinc/35/00/98/637350098.db2.gz FPUZRHNKMYEWRI-JTQLQIEISA-N 1 0 286.759 2.841 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000863588331 637704406 /nfs/dbraw/zinc/70/44/06/637704406.db2.gz KRIFLZJVNXPSSV-DZGCQCFKSA-N 1 0 290.363 2.798 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000865565516 638428334 /nfs/dbraw/zinc/42/83/34/638428334.db2.gz ZBFJQNZEMFVKLL-SECBINFHSA-N 1 0 255.343 2.553 20 5 CFBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865658088 638493848 /nfs/dbraw/zinc/49/38/48/638493848.db2.gz HFDPHAJBVLAOBA-UHFFFAOYSA-N 1 0 287.310 2.920 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)cc1 ZINC000865699454 638523300 /nfs/dbraw/zinc/52/33/00/638523300.db2.gz RJMMRBGZQCQIRB-QWHCGFSZSA-N 1 0 252.289 2.965 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000865777951 638568352 /nfs/dbraw/zinc/56/83/52/638568352.db2.gz DLFJFMSWMFSWTR-AWEZNQCLSA-N 1 0 290.363 2.891 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866247950 638779546 /nfs/dbraw/zinc/77/95/46/638779546.db2.gz HTQORKWOYUZDSY-FZMZJTMJSA-N 1 0 298.358 2.662 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866276285 638787096 /nfs/dbraw/zinc/78/70/96/638787096.db2.gz MVGMRIQOMMLIOZ-IAQYHMDHSA-N 1 0 298.358 2.926 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000866362416 638804361 /nfs/dbraw/zinc/80/43/61/638804361.db2.gz BIUCUXAOEMOTAF-QMTHXVAHSA-N 1 0 296.342 2.822 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866363566 638804385 /nfs/dbraw/zinc/80/43/85/638804385.db2.gz MNIJIYYTBBIEKN-MEBBXXQBSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364848 638804737 /nfs/dbraw/zinc/80/47/37/638804737.db2.gz DFWNANNYORFVRP-NEPJUHHUSA-N 1 0 298.358 2.663 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866384604 638810784 /nfs/dbraw/zinc/81/07/84/638810784.db2.gz MVEMWQNLDHLZLC-NSHDSACASA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1COC(C)(C)C1 ZINC000866386143 638811205 /nfs/dbraw/zinc/81/12/05/638811205.db2.gz XTWBFQGZFJVGKK-GXFFZTMASA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866408555 638816655 /nfs/dbraw/zinc/81/66/55/638816655.db2.gz ANDQKPFZQFHGRT-QMMMGPOBSA-N 1 0 255.293 2.576 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121052578 638819239 /nfs/dbraw/zinc/81/92/39/638819239.db2.gz QJVKRFVPRLTLQU-LLVKDONJSA-N 1 0 288.351 2.942 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000866541342 638839210 /nfs/dbraw/zinc/83/92/10/638839210.db2.gz YQHIEMCWOOOUTR-WFASDCNBSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866725864 638871432 /nfs/dbraw/zinc/87/14/32/638871432.db2.gz SVBZMVZWJRRRKV-KGLIPLIRSA-N 1 0 295.770 2.575 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871789499 641458697 /nfs/dbraw/zinc/45/86/97/641458697.db2.gz ZDPRESPVUOVHAG-SNVBAGLBSA-N 1 0 288.307 2.686 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024946 641556624 /nfs/dbraw/zinc/55/66/24/641556624.db2.gz XPBKUJZQYPDIAV-MNOVXSKESA-N 1 0 282.315 2.811 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030295 641560248 /nfs/dbraw/zinc/56/02/48/641560248.db2.gz CKCMAUMLQQYGMQ-VHSXEESVSA-N 1 0 270.304 2.810 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000872035447 641567334 /nfs/dbraw/zinc/56/73/34/641567334.db2.gz MOJKDTVBVQOHJI-SECBINFHSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046441 641581015 /nfs/dbraw/zinc/58/10/15/641581015.db2.gz HKTSFDRGNNSNNU-QWRGUYRKSA-N 1 0 292.314 2.670 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046948 641581533 /nfs/dbraw/zinc/58/15/33/641581533.db2.gz AAJIUCMNSUYEAE-IUCAKERBSA-N 1 0 270.329 2.890 20 5 CFBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049560 641584112 /nfs/dbraw/zinc/58/41/12/641584112.db2.gz STGDBRQQHSEHFU-BXKDBHETSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H](NCC1=CC[N@H+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054605 641589671 /nfs/dbraw/zinc/58/96/71/641589671.db2.gz ZPTCJFLKDSZHPI-NSHDSACASA-N 1 0 293.342 2.646 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064293 641596948 /nfs/dbraw/zinc/59/69/48/641596948.db2.gz FJXYXZZPGHSILN-GUBZILKMSA-N 1 0 270.304 2.808 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCO ZINC000872066774 641599008 /nfs/dbraw/zinc/59/90/08/641599008.db2.gz LTJULTBUUPDHHZ-SNVBAGLBSA-N 1 0 284.381 2.740 20 5 CFBDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070780 641602000 /nfs/dbraw/zinc/60/20/00/641602000.db2.gz WIQWAVBHLPHEFV-SNVBAGLBSA-N 1 0 282.315 2.690 20 5 CFBDRO C[C@H]([NH2+]CCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872074118 641605781 /nfs/dbraw/zinc/60/57/81/641605781.db2.gz BPSMOHFCJHYZRE-JTQLQIEISA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075067 641607057 /nfs/dbraw/zinc/60/70/57/641607057.db2.gz NIBQHFHDWDJBFU-WDEREUQCSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077516 641610120 /nfs/dbraw/zinc/61/01/20/641610120.db2.gz JWXKSCPJBKOTIE-VWYCJHECSA-N 1 0 282.315 2.952 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872084114 641617575 /nfs/dbraw/zinc/61/75/75/641617575.db2.gz DPHNOXGWFZNOLK-GXSJLCMTSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089332 641622782 /nfs/dbraw/zinc/62/27/82/641622782.db2.gz XCXKWVJCMAOBBO-VOMCLLRMSA-N 1 0 296.342 2.936 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000872090025 641623476 /nfs/dbraw/zinc/62/34/76/641623476.db2.gz KAJOACAQXDUBJL-FOGDFJRCSA-N 1 0 296.392 2.738 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872128841 641656902 /nfs/dbraw/zinc/65/69/02/641656902.db2.gz ZFPKNYSHQQOMTM-LSCVPOLPSA-N 1 0 264.325 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153451 641674096 /nfs/dbraw/zinc/67/40/96/641674096.db2.gz AMOUZIPBGARGHJ-HEHGZKQESA-N 1 0 289.379 2.506 20 5 CFBDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872254997 641718575 /nfs/dbraw/zinc/71/85/75/641718575.db2.gz NVBLKHIUAWBCHN-ZNMIVQPWSA-N 1 0 290.363 2.576 20 5 CFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781032 641934398 /nfs/dbraw/zinc/93/43/98/641934398.db2.gz PCZGTEPTKVKIGD-KGLIPLIRSA-N 1 0 295.770 2.921 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780131 641934694 /nfs/dbraw/zinc/93/46/94/641934694.db2.gz JUJYXYSUQBJPKQ-QWHCGFSZSA-N 1 0 297.305 2.546 20 5 CFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780130 641935150 /nfs/dbraw/zinc/93/51/50/641935150.db2.gz JUJYXYSUQBJPKQ-OLZOCXBDSA-N 1 0 297.305 2.546 20 5 CFBDRO Cc1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781390 641936319 /nfs/dbraw/zinc/93/63/19/641936319.db2.gz SMXKJZCNSLVVME-STQMWFEESA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C1CC1)N(C)C ZINC000873017033 641985091 /nfs/dbraw/zinc/98/50/91/641985091.db2.gz VNNGKAKNHGKUNT-INIZCTEOSA-N 1 0 291.395 2.641 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCC[N@@H+](C)C(C)C ZINC000873035126 641990806 /nfs/dbraw/zinc/99/08/06/641990806.db2.gz GPJCKIJNPMSDAV-UHFFFAOYSA-N 1 0 279.384 2.641 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873065345 642000471 /nfs/dbraw/zinc/00/04/71/642000471.db2.gz CHCVNPXHMSFZNA-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n(C)n1 ZINC000873123085 642019190 /nfs/dbraw/zinc/01/91/90/642019190.db2.gz YGHLQCOCCHUEFS-UHFFFAOYSA-N 1 0 288.351 2.543 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000873128374 642021294 /nfs/dbraw/zinc/02/12/94/642021294.db2.gz MFCCLACDWUMAHW-WBMJQRKESA-N 1 0 292.379 2.852 20 5 CFBDRO COCC[C@@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873130501 642022036 /nfs/dbraw/zinc/02/20/36/642022036.db2.gz FVOKXVAOSZSDPQ-LLVKDONJSA-N 1 0 280.368 2.974 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000873132032 642023246 /nfs/dbraw/zinc/02/32/46/642023246.db2.gz DLRHNRPJUCUSOE-UONOGXRCSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CO)CCC(C)C)cccc1[N+](=O)[O-] ZINC000873142697 642028442 /nfs/dbraw/zinc/02/84/42/642028442.db2.gz UTQHVAPQNFHCHO-CQSZACIVSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cs1 ZINC000873154844 642036063 /nfs/dbraw/zinc/03/60/63/642036063.db2.gz BKYSPUVUJXODOS-SDDRHHMPSA-N 1 0 282.365 2.704 20 5 CFBDRO Cc1ccc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873251997 642097860 /nfs/dbraw/zinc/09/78/60/642097860.db2.gz MYMNZABEUBPMLZ-JSGCOSHPSA-N 1 0 277.368 2.523 20 5 CFBDRO Cc1ccc(CN[C@@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253487 642098748 /nfs/dbraw/zinc/09/87/48/642098748.db2.gz YKZDILLORVTQMI-ZIAGYGMSSA-N 1 0 277.368 2.653 20 5 CFBDRO CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000873253574 642098881 /nfs/dbraw/zinc/09/88/81/642098881.db2.gz ZECYIVIVVNPKEP-KBPBESRZSA-N 1 0 277.368 2.523 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000125189387 642535001 /nfs/dbraw/zinc/53/50/01/642535001.db2.gz KNGWMKDLOQQTPF-SMDDNHRTSA-N 1 0 290.319 2.880 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCCO)C1CC1 ZINC000876731144 642986258 /nfs/dbraw/zinc/98/62/58/642986258.db2.gz FKYVAMVQYJQEJJ-UHFFFAOYSA-N 1 0 278.352 2.558 20 5 CFBDRO CO[C@](C)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000876740884 642989834 /nfs/dbraw/zinc/98/98/34/642989834.db2.gz QAYUPOYHBYZLMW-MRXNPFEDSA-N 1 0 290.363 2.768 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1(O)CCCC1 ZINC000876747556 642991590 /nfs/dbraw/zinc/99/15/90/642991590.db2.gz GXGQJBNGBBTVID-UHFFFAOYSA-N 1 0 292.379 2.949 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000876790200 643010606 /nfs/dbraw/zinc/01/06/06/643010606.db2.gz WGDGFVSKWICAGG-INIZCTEOSA-N 1 0 290.363 2.824 20 5 CFBDRO CC(C)CC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876887059 643051939 /nfs/dbraw/zinc/05/19/39/643051939.db2.gz IPXYJWJTUFPNDN-HIFPTAJRSA-N 1 0 280.372 2.909 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3CCCC3)C2)c1 ZINC000876912955 643061890 /nfs/dbraw/zinc/06/18/90/643061890.db2.gz LURCGCYDTNNMOR-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000876940384 643074474 /nfs/dbraw/zinc/07/44/74/643074474.db2.gz SMZGJASLQHFHFV-UHFFFAOYSA-N 1 0 292.364 2.655 20 5 CFBDRO CC[C@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877086134 643144387 /nfs/dbraw/zinc/14/43/87/643144387.db2.gz UBODYFPWKSIUAI-BBCYWQGDSA-N 1 0 278.356 2.663 20 5 CFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877086141 643144883 /nfs/dbraw/zinc/14/48/83/643144883.db2.gz UBODYFPWKSIUAI-NPZBDFSRSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877500782 643313160 /nfs/dbraw/zinc/31/31/60/643313160.db2.gz JSKOBQYBNNBFHS-IALDZJHCSA-N 1 0 278.356 2.521 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000877553929 643354927 /nfs/dbraw/zinc/35/49/27/643354927.db2.gz CXAMPWGCBPSJIH-CYBMUJFWSA-N 1 0 278.352 2.558 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000877553930 643355050 /nfs/dbraw/zinc/35/50/50/643355050.db2.gz CXAMPWGCBPSJIH-ZDUSSCGKSA-N 1 0 278.352 2.558 20 5 CFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561776 643361477 /nfs/dbraw/zinc/36/14/77/643361477.db2.gz QPTSKFWKFQUMPG-HIFRSBDPSA-N 1 0 292.379 2.804 20 5 CFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561778 643361556 /nfs/dbraw/zinc/36/15/56/643361556.db2.gz QPTSKFWKFQUMPG-ZFWWWQNUSA-N 1 0 292.379 2.804 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](C3CC3)C3CCC3)C2)c1 ZINC000877579635 643376659 /nfs/dbraw/zinc/37/66/59/643376659.db2.gz WSXMNPGSVDUZHT-SSDMNJCBSA-N 1 0 290.367 2.663 20 5 CFBDRO COCCN(CCF)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877626594 643411293 /nfs/dbraw/zinc/41/12/93/643411293.db2.gz FXBVNUVUNRKJCR-UHFFFAOYSA-N 1 0 284.331 2.630 20 5 CFBDRO CC(C)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000877637474 643421230 /nfs/dbraw/zinc/42/12/30/643421230.db2.gz IRTGMGJLZNLNFL-ORHYLEIMSA-N 1 0 278.356 2.519 20 5 CFBDRO CCC(C)(C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877673268 643447642 /nfs/dbraw/zinc/44/76/42/643447642.db2.gz FOFZAPPLZUHLOI-UHFFFAOYSA-N 1 0 280.372 2.911 20 5 CFBDRO CC(C)[C@@H](O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878202840 643792261 /nfs/dbraw/zinc/79/22/61/643792261.db2.gz UOOREXKUONIENH-INIZCTEOSA-N 1 0 292.379 2.966 20 5 CFBDRO C=C/C=C\CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251653 643808297 /nfs/dbraw/zinc/80/82/97/643808297.db2.gz PQVHPCRKKBUZEX-SCOBNMCVSA-N 1 0 288.351 2.608 20 5 CFBDRO C=C/C=C\CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251650 643808705 /nfs/dbraw/zinc/80/87/05/643808705.db2.gz PQVHPCRKKBUZEX-DHCBQETCSA-N 1 0 288.351 2.608 20 5 CFBDRO C[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721427 650880722 /nfs/dbraw/zinc/88/07/22/650880722.db2.gz HYDVUINRNCTFLW-ZWNOBZJWSA-N 1 0 297.786 2.821 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CCF)CC2)c1 ZINC000879209879 644177595 /nfs/dbraw/zinc/17/75/95/644177595.db2.gz VVLGVKOHQRIRDU-HNNXBMFYSA-N 1 0 296.342 2.700 20 5 CFBDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000879317542 644221689 /nfs/dbraw/zinc/22/16/89/644221689.db2.gz FNOVQPKZAXDTNW-BXUZGUMPSA-N 1 0 264.325 2.594 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879964944 644480619 /nfs/dbraw/zinc/48/06/19/644480619.db2.gz UFEIFLJPCSTBDG-LBPRGKRZSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000880091913 644528767 /nfs/dbraw/zinc/52/87/67/644528767.db2.gz MVFIRONDQYCRHG-WOPDTQHZSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000880365930 644669390 /nfs/dbraw/zinc/66/93/90/644669390.db2.gz WYXZVWYSDQXYOM-UHFFFAOYSA-N 1 0 298.346 2.596 20 5 CFBDRO CC[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251797722 650994595 /nfs/dbraw/zinc/99/45/95/650994595.db2.gz NXRRRTJRWGAHIY-ZWNOBZJWSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1NC1CC([NH+]2CCCCC2)C1 ZINC000882289684 645264529 /nfs/dbraw/zinc/26/45/29/645264529.db2.gz WMGIWLKFFWHTSB-UHFFFAOYSA-N 1 0 294.330 2.558 20 5 CFBDRO CC(=O)c1c(N[C@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000882382616 645295646 /nfs/dbraw/zinc/29/56/46/645295646.db2.gz HTHCAVQMMDNJRI-LLVKDONJSA-N 1 0 293.367 2.938 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CO)CC(C)C ZINC000882915677 645510071 /nfs/dbraw/zinc/51/00/71/645510071.db2.gz XAFYARVLDAPGIF-CYBMUJFWSA-N 1 0 280.368 2.708 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000882962278 645531764 /nfs/dbraw/zinc/53/17/64/645531764.db2.gz NGUNMRJZMBFHIR-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO CSCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130761570 645568604 /nfs/dbraw/zinc/56/86/04/645568604.db2.gz OVFWNCQORQEZFB-JTQLQIEISA-N 1 0 254.355 2.826 20 5 CFBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883090167 645601256 /nfs/dbraw/zinc/60/12/56/645601256.db2.gz DFDHUTOFRRJTKK-ZFDPJTLLSA-N 1 0 278.352 2.628 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000883126267 645615593 /nfs/dbraw/zinc/61/55/93/645615593.db2.gz KUWGBQRCYFQIGG-CYBMUJFWSA-N 1 0 298.770 2.889 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000883320155 645738319 /nfs/dbraw/zinc/73/83/19/645738319.db2.gz CDMXBVRGWOKADI-RWMBFGLXSA-N 1 0 278.352 2.979 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000883320499 645738503 /nfs/dbraw/zinc/73/85/03/645738503.db2.gz NFBMVYZPWRUEQI-KCQAQPDRSA-N 1 0 292.379 2.931 20 5 CFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000800124106 646149484 /nfs/dbraw/zinc/14/94/84/646149484.db2.gz VMFDCAGVQOCZOD-UHFFFAOYSA-N 1 0 292.335 2.628 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885937622 646774406 /nfs/dbraw/zinc/77/44/06/646774406.db2.gz FNANBYAPHHVKNX-ZBFHGGJFSA-N 1 0 290.363 2.984 20 5 CFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000886011325 646814451 /nfs/dbraw/zinc/81/44/51/646814451.db2.gz YQZRFMMPPBOFCY-MRXNPFEDSA-N 1 0 297.358 2.979 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCc2ccccc2CC1 ZINC000886012485 646815867 /nfs/dbraw/zinc/81/58/67/646815867.db2.gz IWBZPFWDBBHJBL-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO C[N@H+](CCc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000886022494 646825170 /nfs/dbraw/zinc/82/51/70/646825170.db2.gz DBQCVIIMSFJHQI-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO C[C@H](c1ccncc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886092302 646863794 /nfs/dbraw/zinc/86/37/94/646863794.db2.gz SWLYZPXJPDDOJJ-LLVKDONJSA-N 1 0 272.308 2.578 20 5 CFBDRO COCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000886168714 646904645 /nfs/dbraw/zinc/90/46/45/646904645.db2.gz XOSWJOLFYOZZFZ-GXTWGEPZSA-N 1 0 293.367 2.627 20 5 CFBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886175290 646908617 /nfs/dbraw/zinc/90/86/17/646908617.db2.gz WPDPDOKRDVBKOY-HNNXBMFYSA-N 1 0 293.367 2.771 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000886204370 646918991 /nfs/dbraw/zinc/91/89/91/646918991.db2.gz CMJLSDYVQOVTCA-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000886207489 646921259 /nfs/dbraw/zinc/92/12/59/646921259.db2.gz DUBFYYVDCUEIQB-GFCCVEGCSA-N 1 0 261.325 2.612 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000886221244 646927706 /nfs/dbraw/zinc/92/77/06/646927706.db2.gz WDCWTNHCDZQMBO-LNSITVRQSA-N 1 0 276.336 2.672 20 5 CFBDRO Cc1c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000886558521 647046380 /nfs/dbraw/zinc/04/63/80/647046380.db2.gz MSXKVLOVGKQWIH-BETUJISGSA-N 1 0 278.377 2.698 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815444 647149269 /nfs/dbraw/zinc/14/92/69/647149269.db2.gz DQKXGEYLQXCJBV-SWLSCSKDSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886832547 647156769 /nfs/dbraw/zinc/15/67/69/647156769.db2.gz JQLKHUXVQLHMMB-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCCF)cccc1[N+](=O)[O-] ZINC000887140023 647228587 /nfs/dbraw/zinc/22/85/87/647228587.db2.gz NKYMBTQFMRLBOJ-NSHDSACASA-N 1 0 297.330 2.522 20 5 CFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000887275753 647259309 /nfs/dbraw/zinc/25/93/09/647259309.db2.gz PROZQWFEFMQQAW-QMMMGPOBSA-N 1 0 278.337 2.513 20 5 CFBDRO C[C@@H]1NCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571425 648222752 /nfs/dbraw/zinc/22/27/52/648222752.db2.gz HSZCDYXJKKCLLL-BBRMVZONSA-N 1 0 291.395 2.648 20 5 CFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630110 648250198 /nfs/dbraw/zinc/25/01/98/648250198.db2.gz QYEAFGTWERAORU-GWCFXTLKSA-N 1 0 297.786 2.521 20 5 CFBDRO C[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635553 648253671 /nfs/dbraw/zinc/25/36/71/648253671.db2.gz NWVZRTIZEUTHRR-GDLCADMTSA-N 1 0 275.352 2.515 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(Cl)CC1 ZINC000925640525 648257483 /nfs/dbraw/zinc/25/74/83/648257483.db2.gz ITDWQXFBKNHXHS-JTQLQIEISA-N 1 0 268.744 2.887 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000925742207 648306053 /nfs/dbraw/zinc/30/60/53/648306053.db2.gz QELFIXYSFGELPF-LLVKDONJSA-N 1 0 265.357 2.681 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000927019242 648685200 /nfs/dbraw/zinc/68/52/00/648685200.db2.gz DKWYTQNNRASPBU-RISCZKNCSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927022073 648685816 /nfs/dbraw/zinc/68/58/16/648685816.db2.gz QEPVULLHYJCUNH-XHDPSFHLSA-N 1 0 293.367 2.787 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035131911 648983007 /nfs/dbraw/zinc/98/30/07/648983007.db2.gz CJWVTOWAWRXCEB-UHFFFAOYSA-N 1 0 287.275 2.793 20 5 CFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000930496751 649261346 /nfs/dbraw/zinc/26/13/46/649261346.db2.gz RJXYXYBBGYTFNJ-LBPRGKRZSA-N 1 0 287.319 2.801 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931805551 649492643 /nfs/dbraw/zinc/49/26/43/649492643.db2.gz GLHUJEKHFCROSE-CQSZACIVSA-N 1 0 256.305 2.693 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932179004 649560004 /nfs/dbraw/zinc/56/00/04/649560004.db2.gz VHULFADTUJKKBY-NTZNESFSSA-N 1 0 264.325 2.670 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000932368134 649585989 /nfs/dbraw/zinc/58/59/89/649585989.db2.gz DBUPAEMOOXTFMV-GFCCVEGCSA-N 1 0 296.367 2.767 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C3CCC3)CC2)cc1 ZINC000932821508 649646384 /nfs/dbraw/zinc/64/63/84/649646384.db2.gz SDQWKFSPOBEPJF-UHFFFAOYSA-N 1 0 290.363 2.722 20 5 CFBDRO CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932975555 649666155 /nfs/dbraw/zinc/66/61/55/649666155.db2.gz VHSMWHWPZJKUJL-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105833 649750368 /nfs/dbraw/zinc/75/03/68/649750368.db2.gz QFMQPWSUKMUPPI-OCCSQVGLSA-N 1 0 264.325 2.512 20 5 CFBDRO COc1cccc2sc(O[C@H](C)C[N+](C)(C)C)nc21 ZINC001226986094 777719085 /nfs/dbraw/zinc/71/90/85/777719085.db2.gz NVABOIOAQCOKPD-SNVBAGLBSA-N 1 0 281.401 2.778 20 5 CFBDRO [NH3+]C[C@H]1CCCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001236251679 778753866 /nfs/dbraw/zinc/75/38/66/778753866.db2.gz XLMAPBDFSLZWRR-MRXNPFEDSA-N 1 0 292.386 2.706 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000723990880 770735525 /nfs/dbraw/zinc/73/55/25/770735525.db2.gz VPTNVPTZXZXMMM-HIFRSBDPSA-N 1 0 278.352 2.890 20 5 CFBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000724123897 770798016 /nfs/dbraw/zinc/79/80/16/770798016.db2.gz ZRONSHXCOINVAI-DGCLKSJQSA-N 1 0 284.743 2.857 20 5 CFBDRO CC(C)(C)c1cnc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167582020 770935183 /nfs/dbraw/zinc/93/51/83/770935183.db2.gz RBVZRHIWLBFIRX-UHFFFAOYSA-N 1 0 274.324 2.537 20 5 CFBDRO CC[NH+]1CCC(OCc2ncc(C)c([N+](=O)[O-])c2C)CC1 ZINC001224182291 775121550 /nfs/dbraw/zinc/12/15/50/775121550.db2.gz GRUJUJONAVEBPV-UHFFFAOYSA-N 1 0 293.367 2.608 20 5 CFBDRO C[N+](C)(C)CCCO[C@@H]1CCCN(c2ccccc2)C1 ZINC001224620686 775227736 /nfs/dbraw/zinc/22/77/36/775227736.db2.gz ADTXQDMNNSBXJA-QGZVFWFLSA-N 1 0 277.432 2.768 20 5 CFBDRO CC(C)Oc1cc(COCCC[N+](C)(C)C)cnc1F ZINC001224620746 775228561 /nfs/dbraw/zinc/22/85/61/775228561.db2.gz CUGIFWVOJIFRFT-UHFFFAOYSA-N 1 0 285.383 2.621 20 5 CFBDRO C[N+](C)(C)CCCOC1CC(OCc2ccccc2)C1 ZINC001224623995 775229415 /nfs/dbraw/zinc/22/94/15/775229415.db2.gz RZYDKTLHJACGRD-UHFFFAOYSA-N 1 0 278.416 2.847 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCO)C2CCCC2)c1 ZINC000725078132 775268748 /nfs/dbraw/zinc/26/87/48/775268748.db2.gz UNSGIFCSQMTULV-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(Br)n1 ZINC001224771279 775270109 /nfs/dbraw/zinc/27/01/09/775270109.db2.gz IHLFGWOLYXIPCH-JTQLQIEISA-N 1 0 288.209 2.628 20 5 CFBDRO C[C@@H](OC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224816802 775281713 /nfs/dbraw/zinc/28/17/13/775281713.db2.gz AOEKTXYHSKKBBY-RISCZKNCSA-N 1 0 264.325 2.767 20 5 CFBDRO C[NH2+][C@H]1C[C@H](Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001217952737 775401922 /nfs/dbraw/zinc/40/19/22/775401922.db2.gz GHFSRIFBDVBAJN-JLIMDTESSA-N 1 0 290.241 2.743 20 5 CFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)ccc1Cl ZINC001217981041 775416448 /nfs/dbraw/zinc/41/64/48/775416448.db2.gz NWUIBZSZMCTBDA-ZYHUDNBSSA-N 1 0 288.706 2.717 20 5 CFBDRO c1ccc2c(c1)nc(OC1C[NH2+]C1)c1ccccc21 ZINC001218050441 775459162 /nfs/dbraw/zinc/45/91/62/775459162.db2.gz SKWGFNFGOBRBFJ-UHFFFAOYSA-N 1 0 250.301 2.739 20 5 CFBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225589900 775513733 /nfs/dbraw/zinc/51/37/33/775513733.db2.gz HCKOUXOGLZRNML-CQSZACIVSA-N 1 0 299.330 2.643 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1-n1nc(C[NH3+])c2ccccc21 ZINC001167698221 775527884 /nfs/dbraw/zinc/52/78/84/775527884.db2.gz WCNDEGAREXMNTK-UHFFFAOYSA-N 1 0 282.303 2.701 20 5 CFBDRO Cc1c(O[C@@H]2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC001225689881 775560368 /nfs/dbraw/zinc/56/03/68/775560368.db2.gz QIGUSYDCVWZLFO-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(F)c(F)cc1[N+](=O)[O-] ZINC001225778362 775591131 /nfs/dbraw/zinc/59/11/31/775591131.db2.gz HVPLTPPAZPICGC-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225778872 775590649 /nfs/dbraw/zinc/59/06/49/775590649.db2.gz KTSAYRGCBDMQDC-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@H]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C[NH2+]1 ZINC001218392390 775623249 /nfs/dbraw/zinc/62/32/49/775623249.db2.gz JHUWCSZWEIOMHS-DTWKUNHWSA-N 1 0 270.716 2.768 20 5 CFBDRO C[C@@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC001218408192 775642127 /nfs/dbraw/zinc/64/21/27/775642127.db2.gz UIOLAYYFSHJZEF-PSASIEDQSA-N 1 0 270.716 2.768 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC001218412468 775644737 /nfs/dbraw/zinc/64/47/37/775644737.db2.gz FRZCYKRLWSBZNA-JOYOIKCWSA-N 1 0 284.743 2.933 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C[C@H]1C ZINC001218418487 775650715 /nfs/dbraw/zinc/65/07/15/775650715.db2.gz ZXAKCQAVHAPIDL-RNCFNFMXSA-N 1 0 264.325 2.588 20 5 CFBDRO Cc1ccnc(OC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001226119486 775707190 /nfs/dbraw/zinc/70/71/90/775707190.db2.gz PSNOUUMLJGODLK-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@H](Oc1cc[nH+]c(N)c1)c1ccccc1[N+](=O)[O-] ZINC001226656004 775907590 /nfs/dbraw/zinc/90/75/90/775907590.db2.gz KAWVFYCQBBJJMB-VIFPVBQESA-N 1 0 259.265 2.712 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226713112 775935868 /nfs/dbraw/zinc/93/58/68/775935868.db2.gz VNXVQYCXGAKXRY-UHFFFAOYSA-N 1 0 279.340 2.632 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001226744852 775944009 /nfs/dbraw/zinc/94/40/09/775944009.db2.gz UULDITBLSJBGPT-JZYVYDRUSA-N 1 0 298.289 2.877 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226809685 775973627 /nfs/dbraw/zinc/97/36/27/775973627.db2.gz GMNZIVZWKXKBSR-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001226950268 776030992 /nfs/dbraw/zinc/03/09/92/776030992.db2.gz HAHPMDQOPWJNBM-IMRBUKKESA-N 1 0 276.336 2.907 20 5 CFBDRO COC(=O)c1cccc(Cl)c1O[C@@H](C)C[N+](C)(C)C ZINC001226980045 776045022 /nfs/dbraw/zinc/04/50/22/776045022.db2.gz CRVUJIKPPCCEHL-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001227061826 776080766 /nfs/dbraw/zinc/08/07/66/776080766.db2.gz AWRGGFUVWFNYNR-LBPRGKRZSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1N1CCCC1 ZINC001227200417 776135405 /nfs/dbraw/zinc/13/54/05/776135405.db2.gz USOBVOPOMQVSPX-CQSZACIVSA-N 1 0 263.405 2.760 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222760327 776294400 /nfs/dbraw/zinc/29/44/00/776294400.db2.gz ONAWSPFXTLCOCW-AWEZNQCLSA-N 1 0 278.352 2.984 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc2cccnc21 ZINC001227979939 776346705 /nfs/dbraw/zinc/34/67/05/776346705.db2.gz IZWRVMQKWMWIBJ-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO CC[NH+]1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228055928 776380509 /nfs/dbraw/zinc/38/05/09/776380509.db2.gz ZSGIYLNDIVQUOR-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1nc(N)ccc1CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167786029 776388336 /nfs/dbraw/zinc/38/83/36/776388336.db2.gz GBZYRVPNFYMYLQ-UHFFFAOYSA-N 1 0 297.318 2.974 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001228570618 776524745 /nfs/dbraw/zinc/52/47/45/776524745.db2.gz FYHJGMNTYWKILE-LBPRGKRZSA-N 1 0 267.349 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccnc1C(F)(F)F ZINC001228596131 776534698 /nfs/dbraw/zinc/53/46/98/776534698.db2.gz CXZSWLWHIHFIBA-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2cccc(F)c21 ZINC001228734317 776590046 /nfs/dbraw/zinc/59/00/46/776590046.db2.gz GZOOWQUCKZSHBJ-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001228839013 776628807 /nfs/dbraw/zinc/62/88/07/776628807.db2.gz RRFKTOIFVFRFON-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO O=[N+]([O-])c1ccncc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001228879311 776643562 /nfs/dbraw/zinc/64/35/62/776643562.db2.gz GNUHWEUJIMQYQY-AWEZNQCLSA-N 1 0 299.330 2.643 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nsc2cc(F)ccc21 ZINC001229046640 776700286 /nfs/dbraw/zinc/70/02/86/776700286.db2.gz ZACFSDFOAYILLB-VIFPVBQESA-N 1 0 269.365 2.909 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001229199780 776750117 /nfs/dbraw/zinc/75/01/17/776750117.db2.gz ZGVJWKPATDAKOA-ZDUSSCGKSA-N 1 0 280.299 2.515 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342932 776785052 /nfs/dbraw/zinc/78/50/52/776785052.db2.gz DKTGVCOZEZWUKH-ZDUSSCGKSA-N 1 0 287.319 2.616 20 5 CFBDRO CC(=O)c1cc(C)cc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001229362004 776789199 /nfs/dbraw/zinc/78/91/99/776789199.db2.gz HARUJFJIJQABAD-CYBMUJFWSA-N 1 0 264.389 2.980 20 5 CFBDRO CC(=O)n1cc(O[C@@H](C)C[N+](C)(C)C)c2ccccc21 ZINC001229535235 776842747 /nfs/dbraw/zinc/84/27/47/776842747.db2.gz ZGQWOKLPSLQBIU-LBPRGKRZSA-N 1 0 275.372 2.775 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC001204952414 776991998 /nfs/dbraw/zinc/99/19/98/776991998.db2.gz ANTAFINPCLAVMA-NWDGAFQWSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H](C)C[NH+](C)C ZINC001230724749 777051183 /nfs/dbraw/zinc/05/11/83/777051183.db2.gz ZACWCKBJIYGXGX-LLVKDONJSA-N 1 0 252.314 2.541 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230914352 777091408 /nfs/dbraw/zinc/09/14/08/777091408.db2.gz HHCHTZYCMXIQPQ-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230917847 777092526 /nfs/dbraw/zinc/09/25/26/777092526.db2.gz KPMBSKBGLJLLPU-SECBINFHSA-N 1 0 270.716 2.721 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]nc(Cl)c2c1 ZINC001231128026 777151342 /nfs/dbraw/zinc/15/13/42/777151342.db2.gz QHUVWSRKXKGDKK-VIFPVBQESA-N 1 0 268.768 2.690 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225908166 777331965 /nfs/dbraw/zinc/33/19/65/777331965.db2.gz YKANCLGXKJPNPA-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO C[NH+](C)CCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001161665978 777455143 /nfs/dbraw/zinc/45/51/43/777455143.db2.gz ATSGIFJGUBIDQV-UHFFFAOYSA-N 1 0 286.335 2.630 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232218838 777479691 /nfs/dbraw/zinc/47/96/91/777479691.db2.gz MICHPYWYWFOYSG-BLLLJJGKSA-N 1 0 293.370 2.596 20 5 CFBDRO CC(=O)CN(C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219652 777479975 /nfs/dbraw/zinc/47/99/75/777479975.db2.gz XRFNIRQOBMRCBJ-UHFFFAOYSA-N 1 0 279.343 2.804 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCC[NH+](C)C ZINC001161673085 777501869 /nfs/dbraw/zinc/50/18/69/777501869.db2.gz XAQFGHYTNXCBAI-UHFFFAOYSA-N 1 0 281.356 2.664 20 5 CFBDRO C=C/C=C\CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000713501162 777646305 /nfs/dbraw/zinc/64/63/05/777646305.db2.gz FLKKNMAXISETGZ-ARJAWSKDSA-N 1 0 250.273 2.956 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226918266 777697008 /nfs/dbraw/zinc/69/70/08/777697008.db2.gz QGWIJXMZCOWAHA-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC001233495027 777967858 /nfs/dbraw/zinc/96/78/58/777967858.db2.gz AQCHXVYZSCPUBD-UHFFFAOYSA-N 1 0 292.335 2.661 20 5 CFBDRO Cc1ccnc([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001233556421 777990596 /nfs/dbraw/zinc/99/05/96/777990596.db2.gz MHIRROJTRQLKDY-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ncco2)cc1 ZINC001233737971 778059276 /nfs/dbraw/zinc/05/92/76/778059276.db2.gz YWFPONJDZXMJBS-LBPRGKRZSA-N 1 0 261.345 2.815 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233750053 778062234 /nfs/dbraw/zinc/06/22/34/778062234.db2.gz IFWVLVGTBFHSNC-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO Cc1ccc2nc(C)nc(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001234003616 778136168 /nfs/dbraw/zinc/13/61/68/778136168.db2.gz ZNULALKAPYYYGA-LBPRGKRZSA-N 1 0 274.388 2.720 20 5 CFBDRO COc1ccc(N=O)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234017470 778143385 /nfs/dbraw/zinc/14/33/85/778143385.db2.gz NRQJSQMRSNBALM-SNVBAGLBSA-N 1 0 253.322 2.567 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)ccc(O)c1F ZINC001234263322 778196646 /nfs/dbraw/zinc/19/66/46/778196646.db2.gz XIJYFDBHBJMFJL-MRVPVSSYSA-O 1 0 262.732 2.658 20 5 CFBDRO CC(C)Oc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234291237 778202252 /nfs/dbraw/zinc/20/22/52/778202252.db2.gz QIYNZPIJMHLBBK-ZDUSSCGKSA-N 1 0 252.378 2.947 20 5 CFBDRO C[C@@H](C[NH2+]Cc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000897469972 778273860 /nfs/dbraw/zinc/27/38/60/778273860.db2.gz VBFOWGYLUPVWOT-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2c1cccc2[N+](=O)[O-] ZINC001234675721 778286095 /nfs/dbraw/zinc/28/60/95/778286095.db2.gz CKUXLUFDRPTVMG-LLVKDONJSA-N 1 0 290.343 2.617 20 5 CFBDRO COc1cc(OC)c(Cl)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234883880 778321330 /nfs/dbraw/zinc/32/13/30/778321330.db2.gz GWVUDXZOPRHYLH-SNVBAGLBSA-N 1 0 288.795 2.831 20 5 CFBDRO CCOC(=O)CCCCCCO[C@H](C)C[N+](C)(C)C ZINC001224391577 778497078 /nfs/dbraw/zinc/49/70/78/778497078.db2.gz PPTPDSGXMRQVFA-CQSZACIVSA-N 1 0 274.425 2.611 20 5 CFBDRO C[C@@H](OCCC[N+](C)(C)C)c1cnc2ccccn21 ZINC001224619118 778601807 /nfs/dbraw/zinc/60/18/07/778601807.db2.gz LIIFHQDSAXVVCK-CYBMUJFWSA-N 1 0 262.377 2.508 20 5 CFBDRO CCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000036964871 778639230 /nfs/dbraw/zinc/63/92/30/778639230.db2.gz ADJQGYBVJSCONS-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NCC1CC(=O)C1 ZINC001168394921 778784792 /nfs/dbraw/zinc/78/47/92/778784792.db2.gz VJLCRNAZNYEIGK-UHFFFAOYSA-N 1 0 261.389 2.674 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000701051562 780753129 /nfs/dbraw/zinc/75/31/29/780753129.db2.gz ZTQXDKCPROEPEI-RZGXBDKHSA-N 1 0 282.315 2.635 20 5 CFBDRO CC1(C)C[C@]1(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000702377514 780918536 /nfs/dbraw/zinc/91/85/36/780918536.db2.gz MQWWIDFHROISRU-UKRRQHHQSA-N 1 0 278.352 2.654 20 5 CFBDRO COC(=O)c1cc(NC(=[NH2+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC001162664481 781092938 /nfs/dbraw/zinc/09/29/38/781092938.db2.gz HKLSMXQDHMCZDC-UHFFFAOYSA-N 1 0 279.296 2.817 20 5 CFBDRO C[C@H]([NH2+]CCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000709824020 781319633 /nfs/dbraw/zinc/31/96/33/781319633.db2.gz CCFMVYAVAGRVCK-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000711635485 781461105 /nfs/dbraw/zinc/46/11/05/781461105.db2.gz UDNNVGLBOSXBIT-PHIMTYICSA-N 1 0 282.340 2.529 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C=CCC2)c(F)c1 ZINC000711682880 781464918 /nfs/dbraw/zinc/46/49/18/781464918.db2.gz ARFLZJVXGUIVFS-JTQLQIEISA-N 1 0 250.273 2.790 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(Cl)ncnc2c1 ZINC001231117014 781909495 /nfs/dbraw/zinc/90/94/95/781909495.db2.gz XJDCIADVAOWXSM-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000594512132 349436743 /nfs/dbraw/zinc/43/67/43/349436743.db2.gz SSONIXCKXYCOSS-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594546599 349444914 /nfs/dbraw/zinc/44/49/14/349444914.db2.gz UKKIJWWIPMZAIP-NWDGAFQWSA-N 1 0 291.351 2.642 20 5 CFBDRO Cc1c[nH]c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594928173 349512883 /nfs/dbraw/zinc/51/28/83/349512883.db2.gz FJZMKLVASFKZKT-UHFFFAOYSA-N 1 0 288.351 2.739 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000594941951 349521223 /nfs/dbraw/zinc/52/12/23/349521223.db2.gz DDGFFNZSBSLUFX-QWHCGFSZSA-N 1 0 298.770 2.948 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000594952331 349526313 /nfs/dbraw/zinc/52/63/13/349526313.db2.gz BVKXDQUOGLENCA-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000273075405 192037032 /nfs/dbraw/zinc/03/70/32/192037032.db2.gz PGCVRDPHQAPMMT-CHWSQXEVSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273084444 192037965 /nfs/dbraw/zinc/03/79/65/192037965.db2.gz RLCBDWWJCNNXCU-HZPDHXFCSA-N 1 0 290.363 2.685 20 5 CFBDRO CC(C)(C)OCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594978090 349536971 /nfs/dbraw/zinc/53/69/71/349536971.db2.gz XPQFVRMVACEBKF-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594985365 349538902 /nfs/dbraw/zinc/53/89/02/349538902.db2.gz LUZYUEYOSKHRFL-GXTWGEPZSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000594985982 349539017 /nfs/dbraw/zinc/53/90/17/349539017.db2.gz RECMXCAUPVJFOB-RISCZKNCSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000594984366 349539052 /nfs/dbraw/zinc/53/90/52/349539052.db2.gz UEYPJICDHZQTER-UHFFFAOYSA-N 1 0 290.363 2.544 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)CC2CC2)c(Cl)c1 ZINC000594983061 349539261 /nfs/dbraw/zinc/53/92/61/349539261.db2.gz JJNNHFFCXYACCX-LLVKDONJSA-N 1 0 298.770 2.746 20 5 CFBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594993534 349540858 /nfs/dbraw/zinc/54/08/58/349540858.db2.gz BIAQLNBHUASDCL-SNVBAGLBSA-N 1 0 270.354 2.561 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034434 349558226 /nfs/dbraw/zinc/55/82/26/349558226.db2.gz YHQMFPATUZODIZ-RUULKOMLSA-N 1 0 294.351 2.581 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CSCCS2)cs1 ZINC000125194608 187174439 /nfs/dbraw/zinc/17/44/39/187174439.db2.gz KSHYGHWZSGRAIN-VIFPVBQESA-N 1 0 290.435 2.595 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](OC)C(C)C ZINC000595014200 349550096 /nfs/dbraw/zinc/55/00/96/349550096.db2.gz UQFVAGRAAMUTBJ-XHDPSFHLSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000595029309 349556881 /nfs/dbraw/zinc/55/68/81/349556881.db2.gz WMZQQNIPWSWQAL-BXUZGUMPSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(OC)CCC1 ZINC000595033488 349557728 /nfs/dbraw/zinc/55/77/28/349557728.db2.gz MHSUHZWBTISWKH-LLVKDONJSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594994604 349541920 /nfs/dbraw/zinc/54/19/20/349541920.db2.gz JAEMALZSNIONJV-LBPRGKRZSA-N 1 0 294.351 2.508 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034433 349558124 /nfs/dbraw/zinc/55/81/24/349558124.db2.gz YHQMFPATUZODIZ-KBIXYVOKSA-N 1 0 294.351 2.581 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCC1 ZINC000595056182 349567519 /nfs/dbraw/zinc/56/75/19/349567519.db2.gz CDVPHOBDPUDLCD-IUODEOHRSA-N 1 0 292.379 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C/C=C/CO)CCCC2 ZINC000595065374 349571915 /nfs/dbraw/zinc/57/19/15/349571915.db2.gz ANWYMYXMFDOZCS-NHZBNJEXSA-N 1 0 276.336 2.500 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000595037503 349559193 /nfs/dbraw/zinc/55/91/93/349559193.db2.gz GQRYVTPGHPKBQY-OUAUKWLOSA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CCCO ZINC000595042142 349561278 /nfs/dbraw/zinc/56/12/78/349561278.db2.gz PJBXQNSMJHPGEL-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)CC1CC1 ZINC000595088163 349577447 /nfs/dbraw/zinc/57/74/47/349577447.db2.gz HYNBPIXWYSZIGP-WFASDCNBSA-N 1 0 290.363 2.580 20 5 CFBDRO C[C@H]1C[NH+](CCCNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000067911501 346827887 /nfs/dbraw/zinc/82/78/87/346827887.db2.gz INHHYKFIXLCKNH-QWRGUYRKSA-N 1 0 299.396 2.568 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595090869 349578526 /nfs/dbraw/zinc/57/85/26/349578526.db2.gz RSGPJGGOEAWITC-GXTWGEPZSA-N 1 0 292.379 2.962 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092723 349579236 /nfs/dbraw/zinc/57/92/36/349579236.db2.gz ZRYJKWSSFBBTBK-LEWSCRJBSA-N 1 0 276.336 2.549 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000595105384 349583221 /nfs/dbraw/zinc/58/32/21/349583221.db2.gz FWACFIILLJLJPK-DFBGVHRSSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595324210 349602371 /nfs/dbraw/zinc/60/23/71/349602371.db2.gz CCMZPSZXWBYZFL-VHSXEESVSA-N 1 0 267.329 2.902 20 5 CFBDRO CO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595288302 349591101 /nfs/dbraw/zinc/59/11/01/349591101.db2.gz NKCDJOCIYKCAON-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000595396512 349616079 /nfs/dbraw/zinc/61/60/79/349616079.db2.gz WNSNZJALFDWTSU-WCQYABFASA-N 1 0 294.326 2.592 20 5 CFBDRO Cc1noc(C[NH2+][C@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595409907 349618301 /nfs/dbraw/zinc/61/83/01/349618301.db2.gz HBJYBQZVKIVCPC-SECBINFHSA-N 1 0 267.329 2.950 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000595425142 349621788 /nfs/dbraw/zinc/62/17/88/349621788.db2.gz JZNOHHVNBADSRD-GJZGRUSLSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595453473 349630722 /nfs/dbraw/zinc/63/07/22/349630722.db2.gz PEOZBMVMPFHMKZ-KOLCDFICSA-N 1 0 267.329 2.902 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000595449950 349629498 /nfs/dbraw/zinc/62/94/98/349629498.db2.gz MSGVYGIAEPXRFT-VWYCJHECSA-N 1 0 282.315 2.732 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595455194 349632010 /nfs/dbraw/zinc/63/20/10/349632010.db2.gz SWOYFWXRLJCFNI-LLVKDONJSA-N 1 0 296.342 2.859 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3CCC3)CC2)n1 ZINC000595479647 349638289 /nfs/dbraw/zinc/63/82/89/349638289.db2.gz GLUFKAQQQQKTSL-UHFFFAOYSA-N 1 0 278.356 2.618 20 5 CFBDRO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595499314 349642402 /nfs/dbraw/zinc/64/24/02/349642402.db2.gz XHNNIDMWRISPNC-ZDUSSCGKSA-N 1 0 282.315 2.733 20 5 CFBDRO Cc1noc(C[NH2+][C@]2(C)CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595531846 349652452 /nfs/dbraw/zinc/65/24/52/349652452.db2.gz YTEQGNAOIUMGIA-TVQRCGJNSA-N 1 0 267.329 2.950 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000595535609 349653353 /nfs/dbraw/zinc/65/33/53/349653353.db2.gz IJXBYJXIMMMSPX-CYBMUJFWSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670153 349694686 /nfs/dbraw/zinc/69/46/86/349694686.db2.gz AGDBEWCOWWZNSY-XJKSGUPXSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595670805 349696193 /nfs/dbraw/zinc/69/61/93/349696193.db2.gz DLYXTDSQTFBIFR-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326823 346909729 /nfs/dbraw/zinc/90/97/29/346909729.db2.gz BURCFMUJMBNGJL-UKRRQHHQSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595696334 349706130 /nfs/dbraw/zinc/70/61/30/349706130.db2.gz KCBSIRGHKPAPRF-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)CC(C)C ZINC000273147294 192057374 /nfs/dbraw/zinc/05/73/74/192057374.db2.gz GOZJETJFXXWRMZ-GFCCVEGCSA-N 1 0 295.387 2.553 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595749826 349722591 /nfs/dbraw/zinc/72/25/91/349722591.db2.gz LMIPFOXQSOHBAI-UTUOFQBUSA-N 1 0 278.352 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595807571 349737049 /nfs/dbraw/zinc/73/70/49/349737049.db2.gz KPWFFNMUTQWHGG-CHWSQXEVSA-N 1 0 276.336 2.706 20 5 CFBDRO CC[C@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423342594 529591987 /nfs/dbraw/zinc/59/19/87/529591987.db2.gz YYYMLKZRVRDAHM-ZDUSSCGKSA-N 1 0 263.341 2.517 20 5 CFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000595764351 349726081 /nfs/dbraw/zinc/72/60/81/349726081.db2.gz APZPCVLEAGBQFJ-CYBMUJFWSA-N 1 0 291.351 2.620 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595876268 349759484 /nfs/dbraw/zinc/75/94/84/349759484.db2.gz RHPBLEWXZYNQII-ZOWXZIJZSA-N 1 0 278.352 2.606 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1=CCSC1 ZINC000595887960 349762026 /nfs/dbraw/zinc/76/20/26/349762026.db2.gz JKDJORNSYFMLEB-UHFFFAOYSA-N 1 0 278.377 2.742 20 5 CFBDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000338011165 282206222 /nfs/dbraw/zinc/20/62/22/282206222.db2.gz HKGADBPNRNZNDB-GFCCVEGCSA-N 1 0 288.351 2.841 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000596014904 349776435 /nfs/dbraw/zinc/77/64/35/349776435.db2.gz WKIJUJJKAUEZCN-NWDGAFQWSA-N 1 0 293.367 2.557 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(C)C ZINC000414522925 529629362 /nfs/dbraw/zinc/62/93/62/529629362.db2.gz GGXONWBDERVVBB-KBPBESRZSA-N 1 0 284.331 2.619 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596059410 349783938 /nfs/dbraw/zinc/78/39/38/349783938.db2.gz YZTSUWDNHJJJKT-UHFFFAOYSA-N 1 0 284.331 2.794 20 5 CFBDRO Cc1cc(NCCCn2ccnc2)c([N+](=O)[O-])s1 ZINC000596051154 349782046 /nfs/dbraw/zinc/78/20/46/349782046.db2.gz MCXVYVLHJYXGNK-UHFFFAOYSA-N 1 0 266.326 2.663 20 5 CFBDRO CC(C)c1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595933615 349770786 /nfs/dbraw/zinc/77/07/86/349770786.db2.gz ISLQEVSCJQODLX-UHFFFAOYSA-N 1 0 293.367 2.528 20 5 CFBDRO CCn1nccc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000596062349 349784704 /nfs/dbraw/zinc/78/47/04/349784704.db2.gz PNEDEXYLHURDEO-ALCCZGGFSA-N 1 0 286.335 2.614 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCCF ZINC000596092150 349792678 /nfs/dbraw/zinc/79/26/78/349792678.db2.gz BAMXBDPVQNSTBA-NSHDSACASA-N 1 0 270.304 2.540 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCOCCF)cccc1[N+](=O)[O-] ZINC000596096691 349793589 /nfs/dbraw/zinc/79/35/89/349793589.db2.gz XFIDTFXNWZVCDJ-LLVKDONJSA-N 1 0 270.304 2.540 20 5 CFBDRO C[NH2+]C[C@@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000596107086 349796302 /nfs/dbraw/zinc/79/63/02/349796302.db2.gz PYQPVPBAXQRHOV-LLVKDONJSA-N 1 0 289.335 2.552 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126389375 187236700 /nfs/dbraw/zinc/23/67/00/187236700.db2.gz YVQFNYHQRNOJMI-YGRLFVJLSA-N 1 0 264.325 2.670 20 5 CFBDRO CCc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000414443331 529756199 /nfs/dbraw/zinc/75/61/99/529756199.db2.gz ZWQORCDEOSYVRK-UHFFFAOYSA-N 1 0 286.335 2.545 20 5 CFBDRO CCc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000414464609 529756485 /nfs/dbraw/zinc/75/64/85/529756485.db2.gz ZCFQXCTXRBFAJB-NSHDSACASA-N 1 0 286.335 2.798 20 5 CFBDRO Cc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596205053 349826260 /nfs/dbraw/zinc/82/62/60/349826260.db2.gz FHUYMIAWHBLMBC-LBPRGKRZSA-N 1 0 283.397 2.741 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596243931 349838971 /nfs/dbraw/zinc/83/89/71/349838971.db2.gz MNQPNIGRHRZVPT-ZYHUDNBSSA-N 1 0 281.331 2.571 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000295463062 199520396 /nfs/dbraw/zinc/52/03/96/199520396.db2.gz QZTUECSSQNXVOI-NRUUGDAUSA-N 1 0 298.770 2.946 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596309351 349858888 /nfs/dbraw/zinc/85/88/88/349858888.db2.gz ZHQYGHLRLZWJCP-VIFPVBQESA-N 1 0 296.346 2.601 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000596307815 349858926 /nfs/dbraw/zinc/85/89/26/349858926.db2.gz PFSKXKCPPYJWBN-NSHDSACASA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCCn2cccn2)cccc1[N+](=O)[O-] ZINC000127059360 187279759 /nfs/dbraw/zinc/27/97/59/187279759.db2.gz GALKWQAXPBCAON-ZDUSSCGKSA-N 1 0 288.351 2.841 20 5 CFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c2cnccc12)[NH+](C)C ZINC000596424637 349899110 /nfs/dbraw/zinc/89/91/10/349899110.db2.gz IMFXKYFEIUEQOY-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO C[NH2+]C(C)(C)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413213464 529955255 /nfs/dbraw/zinc/95/52/55/529955255.db2.gz ZOFIOHKNDHBXQL-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000074740791 347029749 /nfs/dbraw/zinc/02/97/49/347029749.db2.gz ACPFCNYOYFOPDE-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000074767342 347031539 /nfs/dbraw/zinc/03/15/39/347031539.db2.gz ZWJBSRYJYMHJNL-ZDUSSCGKSA-N 1 0 292.383 2.609 20 5 CFBDRO C[NH2+]CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420143534 529971604 /nfs/dbraw/zinc/97/16/04/529971604.db2.gz YFSMYRWLYAUNDV-UHFFFAOYSA-N 1 0 278.139 2.923 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000596481052 349915295 /nfs/dbraw/zinc/91/52/95/349915295.db2.gz WNMGRILLIVFBJJ-JTQLQIEISA-N 1 0 296.396 2.870 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116279863 232194359 /nfs/dbraw/zinc/19/43/59/232194359.db2.gz RNIMJXZMQSYPRB-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCS1 ZINC000133567369 232210371 /nfs/dbraw/zinc/21/03/71/232210371.db2.gz JGZIVGTYVWWQBF-CYBMUJFWSA-N 1 0 266.366 2.970 20 5 CFBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000154622756 232226664 /nfs/dbraw/zinc/22/66/64/232226664.db2.gz VJNLTHYQGPFPKT-UHFFFAOYSA-N 1 0 297.424 2.963 20 5 CFBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570697 349944386 /nfs/dbraw/zinc/94/43/86/349944386.db2.gz MVXGMKRDGOVLGF-ZDUSSCGKSA-N 1 0 290.367 2.524 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CCCCO ZINC000295141758 199369666 /nfs/dbraw/zinc/36/96/66/199369666.db2.gz ZVQOWEDYGVCMGR-LBPRGKRZSA-N 1 0 266.341 2.544 20 5 CFBDRO CC(C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049442767 346482845 /nfs/dbraw/zinc/48/28/45/346482845.db2.gz HPBDFUFXKRPWTL-UHFFFAOYSA-N 1 0 299.758 2.775 20 5 CFBDRO CC(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049442535 346483030 /nfs/dbraw/zinc/48/30/30/346483030.db2.gz DVJXMWWULJVSBL-UHFFFAOYSA-N 1 0 299.758 2.775 20 5 CFBDRO COC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075765679 347097975 /nfs/dbraw/zinc/09/79/75/347097975.db2.gz GWZLQPWCBZPJEQ-NEPJUHHUSA-N 1 0 264.325 2.624 20 5 CFBDRO CCCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051180151 346500605 /nfs/dbraw/zinc/50/06/05/346500605.db2.gz APECMQKCFZOYFJ-UHFFFAOYSA-N 1 0 252.314 2.706 20 5 CFBDRO CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058610974 346647286 /nfs/dbraw/zinc/64/72/86/346647286.db2.gz MNHVDBZLTKSJBI-ZDUSSCGKSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000064009777 346714289 /nfs/dbraw/zinc/71/42/89/346714289.db2.gz ZCGICWDYKRAXOC-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000128448925 187371187 /nfs/dbraw/zinc/37/11/87/187371187.db2.gz GYQHGKKATUSYTQ-KOLCDFICSA-N 1 0 284.743 2.763 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000066809501 346780653 /nfs/dbraw/zinc/78/06/53/346780653.db2.gz ZJUKGWJATPUBPU-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000066810374 346780668 /nfs/dbraw/zinc/78/06/68/346780668.db2.gz RZMXODNEOLAIBE-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075894606 347107577 /nfs/dbraw/zinc/10/75/77/347107577.db2.gz VIGAVKQWVGASCD-TXEJJXNPSA-N 1 0 296.392 2.799 20 5 CFBDRO CCC[NH+]1CCC(N(C)c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078656411 347268184 /nfs/dbraw/zinc/26/81/84/347268184.db2.gz MPQUJECGHRUXMG-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000088721377 347507794 /nfs/dbraw/zinc/50/77/94/347507794.db2.gz YXZZJYBCNVSDJJ-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000092582302 347632790 /nfs/dbraw/zinc/63/27/90/347632790.db2.gz RWVFSYZSJBRTCJ-SNVBAGLBSA-N 1 0 297.330 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000092585053 347633831 /nfs/dbraw/zinc/63/38/31/347633831.db2.gz NSTQEQPCHXCIFH-CQSZACIVSA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000092764010 347646115 /nfs/dbraw/zinc/64/61/15/347646115.db2.gz NMHFWVZTLXWEEQ-CYBMUJFWSA-N 1 0 278.352 2.532 20 5 CFBDRO C[C@H]1CCC[C@@](CNc2cccnc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000127029663 347839201 /nfs/dbraw/zinc/83/92/01/347839201.db2.gz CGJBPIPQZIGAIB-SWLSCSKDSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1OCCC1CC[NH2+]CC1 ZINC000134494622 347898858 /nfs/dbraw/zinc/89/88/58/347898858.db2.gz YEZHGLHKNXJXCY-UHFFFAOYSA-N 1 0 268.288 2.502 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000146874072 347946629 /nfs/dbraw/zinc/94/66/29/347946629.db2.gz LPABUSCCHAZYKO-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000232131190 348210832 /nfs/dbraw/zinc/21/08/32/348210832.db2.gz HDESJWZYJJHWOY-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000300414647 348368173 /nfs/dbraw/zinc/36/81/73/348368173.db2.gz NTKRCACYHRTBAO-XEGUGMAKSA-N 1 0 276.336 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2CF)cc1 ZINC000293188154 348361548 /nfs/dbraw/zinc/36/15/48/348361548.db2.gz WIRCIADKAQTFSG-CYBMUJFWSA-N 1 0 252.289 2.571 20 5 CFBDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389800 348440874 /nfs/dbraw/zinc/44/08/74/348440874.db2.gz XNROHDRYFHBZBL-TZMCWYRMSA-N 1 0 277.368 2.730 20 5 CFBDRO CCOCC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000313708805 348423809 /nfs/dbraw/zinc/42/38/09/348423809.db2.gz UEVRSZLVMSBNTQ-UHFFFAOYSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402280829 348581582 /nfs/dbraw/zinc/58/15/82/348581582.db2.gz GBLJBVSTVTYREI-GMXVVIOVSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000413272712 233044763 /nfs/dbraw/zinc/04/47/63/233044763.db2.gz XWDVGPAPLHRMNJ-NSHDSACASA-N 1 0 294.330 2.558 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000584750554 348711460 /nfs/dbraw/zinc/71/14/60/348711460.db2.gz MVTWOGSLSNJTAY-WCQYABFASA-N 1 0 266.341 2.979 20 5 CFBDRO CN(c1ccsc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073617 348770564 /nfs/dbraw/zinc/77/05/64/348770564.db2.gz PEKGRSLGDGTKTL-ZACCUICWSA-N 1 0 281.381 2.718 20 5 CFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000273943688 192372466 /nfs/dbraw/zinc/37/24/66/192372466.db2.gz DPOBFCLRGSYCKQ-CMPLNLGQSA-N 1 0 294.351 2.581 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495962 348835722 /nfs/dbraw/zinc/83/57/22/348835722.db2.gz RMGCLRJOWXNQEX-NSHDSACASA-N 1 0 294.351 2.859 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000589584271 348839507 /nfs/dbraw/zinc/83/95/07/348839507.db2.gz OAPIZDUTVZRNKS-RKDXNWHRSA-N 1 0 267.354 2.693 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CF ZINC000588930591 348804505 /nfs/dbraw/zinc/80/45/05/348804505.db2.gz OFSIYFSLNPBAMR-CDCCAWJDSA-N 1 0 252.289 2.946 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000590725969 348937644 /nfs/dbraw/zinc/93/76/44/348937644.db2.gz AZJSRQLSOYFHKB-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000590568161 348910222 /nfs/dbraw/zinc/91/02/22/348910222.db2.gz XUKLNJXUOIGICO-UHFFFAOYSA-N 1 0 293.342 2.656 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000590970341 348974920 /nfs/dbraw/zinc/97/49/20/348974920.db2.gz VKEXZMKSAUZUPT-GJZGRUSLSA-N 1 0 288.347 2.596 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282797 349006092 /nfs/dbraw/zinc/00/60/92/349006092.db2.gz RHKFVGJPCVBPTN-AWEZNQCLSA-N 1 0 289.379 2.668 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1 ZINC000591275639 349006413 /nfs/dbraw/zinc/00/64/13/349006413.db2.gz NSLQQEMVQUVTBG-ZFWWWQNUSA-N 1 0 291.395 2.648 20 5 CFBDRO Cc1cccc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444720 349022726 /nfs/dbraw/zinc/02/27/26/349022726.db2.gz JYOCQLNCQYAMBA-KGLIPLIRSA-N 1 0 289.379 2.729 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC=CC1 ZINC000591501539 349027443 /nfs/dbraw/zinc/02/74/43/349027443.db2.gz MRGYQHYMGBUHCV-UHFFFAOYSA-N 1 0 262.309 2.802 20 5 CFBDRO C[N@H+](CCC[C@@H]1CCOC1)CCc1ccccc1[N+](=O)[O-] ZINC000592121767 349086172 /nfs/dbraw/zinc/08/61/72/349086172.db2.gz ICZBLLPHLLRDNG-CQSZACIVSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592356863 349107681 /nfs/dbraw/zinc/10/76/81/349107681.db2.gz IWRKAVNXFLTCIC-BXKDBHETSA-N 1 0 288.307 2.554 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@H]4CCC[NH2+]4)no3)c2c1 ZINC000592357350 349107741 /nfs/dbraw/zinc/10/77/41/349107741.db2.gz YDQRXBVPHGWBTA-GFCCVEGCSA-N 1 0 299.290 2.551 20 5 CFBDRO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000592201580 349099652 /nfs/dbraw/zinc/09/96/52/349099652.db2.gz ILPGRCFTTTUJNR-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592374429 349111321 /nfs/dbraw/zinc/11/13/21/349111321.db2.gz GKQQCGUKBQJSEO-ZYHUDNBSSA-N 1 0 284.331 2.621 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592372838 349111343 /nfs/dbraw/zinc/11/13/43/349111343.db2.gz UTMYDDBHGCRCJK-VIFPVBQESA-N 1 0 288.294 2.984 20 5 CFBDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000592374899 349111351 /nfs/dbraw/zinc/11/13/51/349111351.db2.gz PCCGVLOOSBWSBI-CQSZACIVSA-N 1 0 266.341 2.626 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000592378787 349112887 /nfs/dbraw/zinc/11/28/87/349112887.db2.gz DHAYKOISNDNLRB-JBLDHEPKSA-N 1 0 292.335 2.587 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000593015328 349187281 /nfs/dbraw/zinc/18/72/81/349187281.db2.gz SGOCVEFOTXQTQJ-GHMZBOCLSA-N 1 0 292.335 2.754 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593017826 349187849 /nfs/dbraw/zinc/18/78/49/349187849.db2.gz BQJPRNJIJWJFFM-WDEREUQCSA-N 1 0 294.351 2.906 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(C(C)C)CC2)c1 ZINC000593031569 349190771 /nfs/dbraw/zinc/19/07/71/349190771.db2.gz HWIGJOKRQHFBAN-UHFFFAOYSA-N 1 0 292.335 2.660 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000593112612 349210997 /nfs/dbraw/zinc/21/09/97/349210997.db2.gz RACNXEQQFYDMQM-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO CC(C)O[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000593052548 349195080 /nfs/dbraw/zinc/19/50/80/349195080.db2.gz IZMXXJQHXKHCTR-AWEZNQCLSA-N 1 0 278.352 2.984 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2(O)CC2)CC1 ZINC000593051874 349195098 /nfs/dbraw/zinc/19/50/98/349195098.db2.gz QHAGUIDTISMKDI-LBPRGKRZSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(C3CCC3)CC2)c1 ZINC000593082858 349204584 /nfs/dbraw/zinc/20/45/84/349204584.db2.gz XXRAYDTVUWBQPF-UHFFFAOYSA-N 1 0 276.336 2.896 20 5 CFBDRO C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000593456603 349274684 /nfs/dbraw/zinc/27/46/84/349274684.db2.gz FEYWGZSJAOPZQT-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593459288 349274782 /nfs/dbraw/zinc/27/47/82/349274782.db2.gz YUQFURRZSADAIL-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594021648 349355144 /nfs/dbraw/zinc/35/51/44/349355144.db2.gz XYVGZXMAJQINOT-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)CCF)CCCC2 ZINC000593718389 349314396 /nfs/dbraw/zinc/31/43/96/349314396.db2.gz GBZKKTGOLKRPCR-DOMZBBRYSA-N 1 0 296.342 2.672 20 5 CFBDRO CSCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594491177 349428562 /nfs/dbraw/zinc/42/85/62/349428562.db2.gz YHYLHRPOZRSSIY-NSHDSACASA-N 1 0 252.339 2.535 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCC1CC1 ZINC000594494415 349429593 /nfs/dbraw/zinc/42/95/93/349429593.db2.gz FWIXLFOPETWZSD-AWEZNQCLSA-N 1 0 276.336 2.598 20 5 CFBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495809 349430337 /nfs/dbraw/zinc/43/03/37/349430337.db2.gz SPBUHKZQJYFZJO-RISCZKNCSA-N 1 0 292.379 2.969 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1(C)C ZINC000594496747 349431001 /nfs/dbraw/zinc/43/10/01/349431001.db2.gz UCQQOGFOULMSJV-AEGPPILISA-N 1 0 290.363 2.985 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597048558 350020637 /nfs/dbraw/zinc/02/06/37/350020637.db2.gz WUKKKURICMJEMU-XEGUGMAKSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000597079383 350025786 /nfs/dbraw/zinc/02/57/86/350025786.db2.gz RZSQAWPIKPWDDI-WBIUFABUSA-N 1 0 276.336 2.813 20 5 CFBDRO COCCC1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597183629 350047353 /nfs/dbraw/zinc/04/73/53/350047353.db2.gz ODWPXZVNBBBMKZ-GQCTYLIASA-N 1 0 276.336 2.576 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000271241200 191023317 /nfs/dbraw/zinc/02/33/17/191023317.db2.gz YPIPGOGFFOBSNP-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000414577686 233297232 /nfs/dbraw/zinc/29/72/32/233297232.db2.gz OZPDBQJDNYAPNL-CMPLNLGQSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000091008559 180086024 /nfs/dbraw/zinc/08/60/24/180086024.db2.gz MXVOYBJFHHABFR-LLVKDONJSA-N 1 0 259.309 2.784 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000104687446 186013886 /nfs/dbraw/zinc/01/38/86/186013886.db2.gz KWTCYMFLKCAATL-LLVKDONJSA-N 1 0 279.340 2.572 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000271303007 191062188 /nfs/dbraw/zinc/06/21/88/191062188.db2.gz UTZHBQCDDLOCRR-BNVCYRGBSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]12C[C@@H]1COC2(C)C ZINC000598988672 350354741 /nfs/dbraw/zinc/35/47/41/350354741.db2.gz UZLUGMXVCYBALY-DOMZBBRYSA-N 1 0 276.336 2.560 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598990284 350355543 /nfs/dbraw/zinc/35/55/43/350355543.db2.gz CDAHODFKDKMZRX-PKYBCLHXSA-N 1 0 292.379 2.995 20 5 CFBDRO COc1cc(C[NH2+]CC2CC=CC2)c([N+](=O)[O-])cc1OC ZINC000598992443 350355629 /nfs/dbraw/zinc/35/56/29/350355629.db2.gz NZHULGHAPSORFN-UHFFFAOYSA-N 1 0 292.335 2.668 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000599042515 350363356 /nfs/dbraw/zinc/36/33/56/350363356.db2.gz SZXANRVKXXZGFR-SWLSCSKDSA-N 1 0 278.352 2.685 20 5 CFBDRO C/C=C\CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078733 350371604 /nfs/dbraw/zinc/37/16/04/350371604.db2.gz DTJNBIQNILXYFG-NQHOJNORSA-N 1 0 286.335 2.583 20 5 CFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC([C@@H]2CCOC2)C1 ZINC000599075893 350371751 /nfs/dbraw/zinc/37/17/51/350371751.db2.gz BCFHYSFJQLUNQL-GFCCVEGCSA-N 1 0 299.330 2.616 20 5 CFBDRO O=[N+]([O-])c1c(NC[C@H]2CC[C@@H](O)C2)ccc2cnccc21 ZINC000599079437 350371982 /nfs/dbraw/zinc/37/19/82/350371982.db2.gz KUMZBRJQZVVXOK-CMPLNLGQSA-N 1 0 287.319 2.716 20 5 CFBDRO C/C=C\C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599081405 350372571 /nfs/dbraw/zinc/37/25/71/350372571.db2.gz KJOLINRANGEYJB-UMCURTJPSA-N 1 0 250.298 2.830 20 5 CFBDRO C/C=C/C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599081404 350372664 /nfs/dbraw/zinc/37/26/64/350372664.db2.gz KJOLINRANGEYJB-ORAHPGNNSA-N 1 0 250.298 2.830 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599089823 350374411 /nfs/dbraw/zinc/37/44/11/350374411.db2.gz AYPQKVSMIFIREK-GYSYKLTISA-N 1 0 264.325 2.670 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])cc1F ZINC000599097749 350375120 /nfs/dbraw/zinc/37/51/20/350375120.db2.gz MKQFIUHYNBUJMS-UHFFFAOYSA-N 1 0 269.320 2.924 20 5 CFBDRO COCCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000599504275 350447126 /nfs/dbraw/zinc/44/71/26/350447126.db2.gz HLVWKVWEXPDJTE-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO CC1(C)CCC(C)(C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599537282 350453051 /nfs/dbraw/zinc/45/30/51/350453051.db2.gz CWWVYCPXPZWIES-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1(C)COC1 ZINC000599571681 350458888 /nfs/dbraw/zinc/45/88/88/350458888.db2.gz PZRZIHZWBXQHJE-GFCCVEGCSA-N 1 0 278.352 2.933 20 5 CFBDRO COc1cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626085 350467157 /nfs/dbraw/zinc/46/71/57/350467157.db2.gz TVAKGXYMLQIKNZ-DDIVZENXSA-N 1 0 294.351 2.505 20 5 CFBDRO Cc1nc(C)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000600141324 350518552 /nfs/dbraw/zinc/51/85/52/350518552.db2.gz FMVCQWKGWQWLKQ-UHFFFAOYSA-N 1 0 275.308 2.532 20 5 CFBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600707517 350598242 /nfs/dbraw/zinc/59/82/42/350598242.db2.gz HWJIUACTQKDTEE-RISCZKNCSA-N 1 0 275.352 2.530 20 5 CFBDRO C[N@H+](CCNCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000109405986 186251234 /nfs/dbraw/zinc/25/12/34/186251234.db2.gz SJQCNVBMWVKAPI-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[NH2+]Cc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600790522 350612939 /nfs/dbraw/zinc/61/29/39/350612939.db2.gz AVYWTJAHGFNXEQ-UHFFFAOYSA-N 1 0 286.331 2.516 20 5 CFBDRO C[C@@]1(CNc2ccnc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000601127501 350676130 /nfs/dbraw/zinc/67/61/30/350676130.db2.gz HWUGPMMPYJJXPP-HNNXBMFYSA-N 1 0 287.319 2.546 20 5 CFBDRO CCC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000601139980 350680108 /nfs/dbraw/zinc/68/01/08/350680108.db2.gz ONBLLXIJJQLKAT-LLVKDONJSA-N 1 0 286.759 2.889 20 5 CFBDRO CC(C)(CNc1ncc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000601152702 350682862 /nfs/dbraw/zinc/68/28/62/350682862.db2.gz QHEWYUGJASDDOG-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000601156449 350684632 /nfs/dbraw/zinc/68/46/32/350684632.db2.gz WYSICEXZYYDKJZ-UHFFFAOYSA-N 1 0 298.342 2.957 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000601189720 350692092 /nfs/dbraw/zinc/69/20/92/350692092.db2.gz MFDVNIXRQKQUES-VXGBXAGGSA-N 1 0 294.330 2.558 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000601298491 350719023 /nfs/dbraw/zinc/71/90/23/350719023.db2.gz ITAPWFHTKTVRKU-BXKDBHETSA-N 1 0 288.294 2.570 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000601303856 350719695 /nfs/dbraw/zinc/71/96/95/350719695.db2.gz ISAICLKFMWUAJC-ZNMIVQPWSA-N 1 0 290.363 2.820 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601976188 350822719 /nfs/dbraw/zinc/82/27/19/350822719.db2.gz OFOWNUSOOZMGGP-QDPHKQGLSA-N 1 0 288.347 2.576 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111254386 186379635 /nfs/dbraw/zinc/37/96/35/186379635.db2.gz BIBJHLFITMZKTA-LLVKDONJSA-N 1 0 279.340 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccccc2O)cc1 ZINC000602528272 350915053 /nfs/dbraw/zinc/91/50/53/350915053.db2.gz QXEYEODOPYBNJT-UHFFFAOYSA-N 1 0 286.331 2.675 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000602556958 350923693 /nfs/dbraw/zinc/92/36/93/350923693.db2.gz HIZWMKPYEVHGOH-UBSAEIQESA-N 1 0 260.337 2.773 20 5 CFBDRO CO[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])CC(C)C ZINC000602558973 350924373 /nfs/dbraw/zinc/92/43/73/350924373.db2.gz RNCXWJUNTZUIHS-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602568307 350927773 /nfs/dbraw/zinc/92/77/73/350927773.db2.gz JJTXIMXKRDECRJ-ZIAGYGMSSA-N 1 0 292.383 2.906 20 5 CFBDRO COCC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000602581611 350933610 /nfs/dbraw/zinc/93/36/10/350933610.db2.gz WKTFRSOUHJKLOS-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000602674072 350972055 /nfs/dbraw/zinc/97/20/55/350972055.db2.gz GWFFDALOHSEYTR-NSHDSACASA-N 1 0 287.319 2.589 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602676904 350973901 /nfs/dbraw/zinc/97/39/01/350973901.db2.gz UGJYVWFEEMDXOZ-ZJUUUORDSA-N 1 0 275.308 2.872 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000602694993 350982429 /nfs/dbraw/zinc/98/24/29/350982429.db2.gz UMOOLVRYSMNHHA-ZIAGYGMSSA-N 1 0 272.304 2.876 20 5 CFBDRO CC[C@@H](COCC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602706192 350990033 /nfs/dbraw/zinc/99/00/33/350990033.db2.gz IWANBTMWPZXXLL-HNNXBMFYSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccncc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602711686 350994024 /nfs/dbraw/zinc/99/40/24/350994024.db2.gz VMTALNXFXNQOCE-UHFFFAOYSA-N 1 0 285.347 2.673 20 5 CFBDRO Cc1c(C[NH2+]CCC[C@@H]2CCO2)cccc1[N+](=O)[O-] ZINC000602634041 350954551 /nfs/dbraw/zinc/95/45/51/350954551.db2.gz NWTQVDHXMFLCEU-CYBMUJFWSA-N 1 0 264.325 2.562 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(SC)CC1 ZINC000602919119 351065227 /nfs/dbraw/zinc/06/52/27/351065227.db2.gz GSRPQWVOPUACIS-UHFFFAOYSA-N 1 0 296.392 2.931 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771249 351019431 /nfs/dbraw/zinc/01/94/31/351019431.db2.gz AUTBTXDSIDNZTP-VXGBXAGGSA-N 1 0 294.399 2.999 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)CC(C)(C)C ZINC000602773583 351020596 /nfs/dbraw/zinc/02/05/96/351020596.db2.gz SITLYXFDATUDFN-UHFFFAOYSA-N 1 0 282.388 2.904 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000602777990 351021664 /nfs/dbraw/zinc/02/16/64/351021664.db2.gz AGOFVEDTMYCXTP-VXGBXAGGSA-N 1 0 280.372 2.610 20 5 CFBDRO CCC1(CC)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787105 351024605 /nfs/dbraw/zinc/02/46/05/351024605.db2.gz HWONKGWPVDFIGO-UHFFFAOYSA-N 1 0 280.372 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000602785221 351025096 /nfs/dbraw/zinc/02/50/96/351025096.db2.gz SNYQUQUASJZOPU-BNOWGMLFSA-N 1 0 292.383 2.753 20 5 CFBDRO C[C@@H]1OCC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602796989 351029319 /nfs/dbraw/zinc/02/93/19/351029319.db2.gz LFXPEYNVNIIUPC-STQMWFEESA-N 1 0 290.363 2.984 20 5 CFBDRO Cn1cc(C[NH2+][C@@H](c2cccs2)C2CC2)c([N+](=O)[O-])n1 ZINC000602802210 351031550 /nfs/dbraw/zinc/03/15/50/351031550.db2.gz PTVYHMAJDRRCGU-GFCCVEGCSA-N 1 0 292.364 2.631 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000602804830 351033129 /nfs/dbraw/zinc/03/31/29/351033129.db2.gz LNJBJTZHGMAUHD-SWLSCSKDSA-N 1 0 292.383 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000602813430 351035801 /nfs/dbraw/zinc/03/58/01/351035801.db2.gz XNUGWJQVVYGVMF-KGLIPLIRSA-N 1 0 294.399 2.904 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000602821273 351037625 /nfs/dbraw/zinc/03/76/25/351037625.db2.gz OIGVDBKBBWOCBA-CYBMUJFWSA-N 1 0 294.399 2.858 20 5 CFBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602834791 351040655 /nfs/dbraw/zinc/04/06/55/351040655.db2.gz CUGNBELEYNWWQQ-CQSZACIVSA-N 1 0 280.372 2.729 20 5 CFBDRO CSC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000602921833 351067158 /nfs/dbraw/zinc/06/71/58/351067158.db2.gz NTUMZGVJAKUYOJ-UHFFFAOYSA-N 1 0 296.392 2.801 20 5 CFBDRO CC(C)Oc1nc(NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000565224938 290285045 /nfs/dbraw/zinc/28/50/45/290285045.db2.gz PCRHHQRDCHGXEE-UHFFFAOYSA-N 1 0 296.371 2.529 20 5 CFBDRO CC(C)SCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962703 351073285 /nfs/dbraw/zinc/07/32/85/351073285.db2.gz NTRSXROVGDDLJS-AWEZNQCLSA-N 1 0 298.408 2.534 20 5 CFBDRO CC/C=C/CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962669 351073398 /nfs/dbraw/zinc/07/33/98/351073398.db2.gz NMMAWUUNOBVZDH-RGDDUWESSA-N 1 0 278.352 2.748 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccsc1[N+](=O)[O-] ZINC000609571026 351507745 /nfs/dbraw/zinc/50/77/45/351507745.db2.gz WOHXZKFOYUPTMU-UHFFFAOYSA-N 1 0 257.359 2.800 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610283121 351549286 /nfs/dbraw/zinc/54/92/86/351549286.db2.gz GRASSFGAPXHXQO-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO Cc1cc(Nc2cnn(-c3cc[nH+]cc3)c2)ncc1[N+](=O)[O-] ZINC000610430910 351565576 /nfs/dbraw/zinc/56/55/76/351565576.db2.gz YUHWGHOCXKACCF-UHFFFAOYSA-N 1 0 296.290 2.623 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000610481092 351569084 /nfs/dbraw/zinc/56/90/84/351569084.db2.gz VSXNXVDXQSRQGV-ZDUSSCGKSA-N 1 0 295.358 2.696 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])s1 ZINC000610514788 351575611 /nfs/dbraw/zinc/57/56/11/351575611.db2.gz OXFCMYDJVDTJIP-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610517820 351576497 /nfs/dbraw/zinc/57/64/97/351576497.db2.gz WHCRDDHQGRKUPE-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000610517765 351576692 /nfs/dbraw/zinc/57/66/92/351576692.db2.gz PZSATXFNQYRVIP-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000610550188 351581068 /nfs/dbraw/zinc/58/10/68/351581068.db2.gz GWZSGSAXKOHDRC-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO Cc1noc(C)c1[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000610786795 351608459 /nfs/dbraw/zinc/60/84/59/351608459.db2.gz VHQLDFKLYQJRNZ-MRVPVSSYSA-N 1 0 291.307 2.756 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000610804402 351610285 /nfs/dbraw/zinc/61/02/85/351610285.db2.gz YZYXSDWKKKDRPV-NEPJUHHUSA-N 1 0 264.325 2.590 20 5 CFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000610804173 351610319 /nfs/dbraw/zinc/61/03/19/351610319.db2.gz LVKOEXLFIHQVTA-ZBKLQPJUSA-N 1 0 298.346 2.998 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000610810978 351610385 /nfs/dbraw/zinc/61/03/85/351610385.db2.gz HEYIBERWKQUYFA-VXGBXAGGSA-N 1 0 265.357 2.504 20 5 CFBDRO CCOc1cc(N2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000611084794 351639053 /nfs/dbraw/zinc/63/90/53/351639053.db2.gz UEVMMKBOQQFFDD-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[N@@H+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092365 351639997 /nfs/dbraw/zinc/63/99/97/351639997.db2.gz RHHNIVQYZHDWHU-CHWSQXEVSA-N 1 0 277.368 2.682 20 5 CFBDRO CC[N@@H+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092367 351640035 /nfs/dbraw/zinc/64/00/35/351640035.db2.gz RHHNIVQYZHDWHU-QWHCGFSZSA-N 1 0 277.368 2.682 20 5 CFBDRO CC[N@H+](CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000611249184 351656726 /nfs/dbraw/zinc/65/67/26/351656726.db2.gz DXXYTAAJONDHQM-UHFFFAOYSA-N 1 0 291.351 2.634 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611273792 351662544 /nfs/dbraw/zinc/66/25/44/351662544.db2.gz UPMYPPZOUZNCJX-WDEREUQCSA-N 1 0 292.335 2.596 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254863 351659342 /nfs/dbraw/zinc/65/93/42/351659342.db2.gz PPBMYOACXIIYFC-JTQLQIEISA-N 1 0 280.324 2.596 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000610946415 351623257 /nfs/dbraw/zinc/62/32/57/351623257.db2.gz GQIDLRQCYRJABG-CYBMUJFWSA-N 1 0 292.383 2.770 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(C)(C)O ZINC000611470308 351694082 /nfs/dbraw/zinc/69/40/82/351694082.db2.gz WYRJSVAMRVZUJB-VXGBXAGGSA-N 1 0 280.368 2.665 20 5 CFBDRO CC(C)(CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611336986 351669885 /nfs/dbraw/zinc/66/98/85/351669885.db2.gz YZVAGOMCCORRGF-CQSZACIVSA-N 1 0 292.379 2.524 20 5 CFBDRO COc1cc(C[N@H+]2CCC[C@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000611943772 351754243 /nfs/dbraw/zinc/75/42/43/351754243.db2.gz WHKVXHKVMXQGMP-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122857014 187055765 /nfs/dbraw/zinc/05/57/65/187055765.db2.gz BYKAXKUXYIBEIP-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291758774 198083439 /nfs/dbraw/zinc/08/34/39/198083439.db2.gz LADDOHYJJPXBLO-WFASDCNBSA-N 1 0 286.335 2.799 20 5 CFBDRO COc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123008066 187065715 /nfs/dbraw/zinc/06/57/15/187065715.db2.gz VZIFHOUIJUECLU-QWRGUYRKSA-N 1 0 264.325 2.976 20 5 CFBDRO Cc1ccncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000123249607 187080242 /nfs/dbraw/zinc/08/02/42/187080242.db2.gz FKZHHVRPGQGWME-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123655550 187102955 /nfs/dbraw/zinc/10/29/55/187102955.db2.gz PFVRYEKOFMSRIN-GXTWGEPZSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000271454700 191147038 /nfs/dbraw/zinc/14/70/38/191147038.db2.gz GODREJOMRZTNAA-KCJUWKMLSA-N 1 0 292.257 2.559 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@H](C2CC2)C1 ZINC000614452928 352096067 /nfs/dbraw/zinc/09/60/67/352096067.db2.gz OQLFKVWMFCAHSC-IMMZDGJCSA-N 1 0 288.347 2.719 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532706 191195716 /nfs/dbraw/zinc/19/57/16/191195716.db2.gz MNKNKEATFJUTRV-NJZAAPMLSA-N 1 0 278.352 2.891 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])s1 ZINC000617438881 352564113 /nfs/dbraw/zinc/56/41/13/352564113.db2.gz VWLURGAOGPRZMS-UHFFFAOYSA-N 1 0 257.359 2.800 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000617491714 352572066 /nfs/dbraw/zinc/57/20/66/352572066.db2.gz OOAXTVGQDIXMAW-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292111900 198167080 /nfs/dbraw/zinc/16/70/80/198167080.db2.gz JCTXZKDYOLRNTM-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000271576163 191222188 /nfs/dbraw/zinc/22/21/88/191222188.db2.gz CSLREMNVTRQFPO-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO CC(C)(CO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571979 352815008 /nfs/dbraw/zinc/81/50/08/352815008.db2.gz AFDAAOIBDCOWJR-CQSZACIVSA-N 1 0 278.352 2.580 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000619426592 353020950 /nfs/dbraw/zinc/02/09/50/353020950.db2.gz IRQUTHLPXXTZEC-OCCSQVGLSA-N 1 0 294.351 2.651 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(O)cc1 ZINC000619846243 353069048 /nfs/dbraw/zinc/06/90/48/353069048.db2.gz WKIDNFNNLBPHAB-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152744766 188040918 /nfs/dbraw/zinc/04/09/18/188040918.db2.gz NPXROUAGYIVNPC-WZRBSPASSA-N 1 0 282.727 2.658 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000152972616 188057028 /nfs/dbraw/zinc/05/70/28/188057028.db2.gz XYVVEISJVXCSEV-QWRGUYRKSA-N 1 0 252.339 2.888 20 5 CFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000271666585 191267625 /nfs/dbraw/zinc/26/76/25/191267625.db2.gz MDJBRNKIXQUZLK-CYBMUJFWSA-N 1 0 274.324 2.532 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153865274 188109232 /nfs/dbraw/zinc/10/92/32/188109232.db2.gz BHNOWTHWSOOGQR-NSHDSACASA-N 1 0 298.774 2.564 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000153963637 188113942 /nfs/dbraw/zinc/11/39/42/188113942.db2.gz PKWAUEJNXGRJNX-HZPDHXFCSA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154369920 188137800 /nfs/dbraw/zinc/13/78/00/188137800.db2.gz QEDKQJNGJORFMC-INIZCTEOSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000154561070 188150481 /nfs/dbraw/zinc/15/04/81/188150481.db2.gz QWGWMPDCNGOOMI-GXTWGEPZSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295174040 199387111 /nfs/dbraw/zinc/38/71/11/199387111.db2.gz URHQZQCXADPKLU-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157864760 188343525 /nfs/dbraw/zinc/34/35/25/188343525.db2.gz GYTYFRNCKBMUGV-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292706018 198383198 /nfs/dbraw/zinc/38/31/98/198383198.db2.gz CWHJXPFPPUIFCL-OAHLLOKOSA-N 1 0 292.379 2.872 20 5 CFBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCC2)s1 ZINC000292789235 198411169 /nfs/dbraw/zinc/41/11/69/198411169.db2.gz MMEAHRDNZLRIGK-UHFFFAOYSA-N 1 0 284.385 2.729 20 5 CFBDRO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728639 191295635 /nfs/dbraw/zinc/29/56/35/191295635.db2.gz MPMVNMHVBNOOTL-QWHCGFSZSA-N 1 0 277.368 2.730 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000271820232 191346274 /nfs/dbraw/zinc/34/62/74/191346274.db2.gz NMOGYDYNLSQNDO-INIZCTEOSA-N 1 0 298.342 2.907 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000376243473 291063533 /nfs/dbraw/zinc/06/35/33/291063533.db2.gz PBYAZPSGARLPKX-NWDGAFQWSA-N 1 0 293.342 2.797 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cccc(F)c2[N+](=O)[O-])C1 ZINC000277010349 283099793 /nfs/dbraw/zinc/09/97/93/283099793.db2.gz LIEISYWDCPUTLV-DGCLKSJQSA-N 1 0 293.342 2.654 20 5 CFBDRO CCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511750 535294330 /nfs/dbraw/zinc/29/43/30/535294330.db2.gz VFPNNDWHSNMEEP-RYUDHWBXSA-N 1 0 266.345 2.665 20 5 CFBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272995017 192012238 /nfs/dbraw/zinc/01/22/38/192012238.db2.gz QMTAKHHXIXTEDL-LLVKDONJSA-N 1 0 261.325 2.657 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293754534 198759421 /nfs/dbraw/zinc/75/94/21/198759421.db2.gz ROVCNEZAXBZGLK-NSHDSACASA-N 1 0 266.341 2.918 20 5 CFBDRO Cc1nc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000295930572 199723347 /nfs/dbraw/zinc/72/33/47/199723347.db2.gz HDWRGYJFUPHNGH-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](C)F ZINC000568472434 290554728 /nfs/dbraw/zinc/55/47/28/290554728.db2.gz UUOOYLKXVQCYDI-WDEREUQCSA-N 1 0 297.330 2.650 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294317170 198995471 /nfs/dbraw/zinc/99/54/71/198995471.db2.gz OEHBYKDOWXPKPJ-GMXVVIOVSA-N 1 0 293.367 2.500 20 5 CFBDRO COc1ccc(C[NH2+]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000294346575 199006552 /nfs/dbraw/zinc/00/65/52/199006552.db2.gz YXGXXHQHZITGTR-UHFFFAOYSA-N 1 0 274.267 2.738 20 5 CFBDRO Cc1nocc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000294596600 199101088 /nfs/dbraw/zinc/10/10/88/199101088.db2.gz HRQYUZAAVSZCEW-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000294596454 199101196 /nfs/dbraw/zinc/10/11/96/199101196.db2.gz DAXOKCAJWLKOHX-IINYFYTJSA-N 1 0 295.383 2.889 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294757635 199168715 /nfs/dbraw/zinc/16/87/15/199168715.db2.gz MIRVJRRYPVYXBP-ZYHUDNBSSA-N 1 0 293.367 2.785 20 5 CFBDRO CC(C)(CO)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294833056 199202822 /nfs/dbraw/zinc/20/28/22/199202822.db2.gz QEXIGQLLPLWEMO-FNORWQNLSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC1(C)C ZINC000294839212 199207052 /nfs/dbraw/zinc/20/70/52/199207052.db2.gz QYFGMHWSZFGEBP-CYBMUJFWSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000294879102 199227559 /nfs/dbraw/zinc/22/75/59/199227559.db2.gz VKTGJKXSXNPGMR-ZDUSSCGKSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000296435309 199891188 /nfs/dbraw/zinc/89/11/88/199891188.db2.gz MAHUCHXVWWUDEN-NSHDSACASA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000274781434 192773570 /nfs/dbraw/zinc/77/35/70/192773570.db2.gz KUMZWSWQLPIYFD-LBPRGKRZSA-N 1 0 280.368 2.667 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000297151546 200099449 /nfs/dbraw/zinc/09/94/49/200099449.db2.gz CJQCWCAMTIDATC-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297227328 200120026 /nfs/dbraw/zinc/12/00/26/200120026.db2.gz HQEIBXRZFVTWOQ-MRVPVSSYSA-N 1 0 273.283 2.873 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297188392 200108749 /nfs/dbraw/zinc/10/87/49/200108749.db2.gz FFFXWKSVKVWZGL-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916817 237344428 /nfs/dbraw/zinc/34/44/28/237344428.db2.gz BOAUYHSHBGNUTE-OUCADQQQSA-N 1 0 277.368 2.694 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000297330907 200151071 /nfs/dbraw/zinc/15/10/71/200151071.db2.gz NZCHSPDWPGUKBR-BLLLJJGKSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297431597 200188126 /nfs/dbraw/zinc/18/81/26/200188126.db2.gz VIVZEESXGOQNPM-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297431601 200188939 /nfs/dbraw/zinc/18/89/39/200188939.db2.gz VIVZEESXGOQNPM-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO COC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCCC1 ZINC000297482160 200206358 /nfs/dbraw/zinc/20/63/58/200206358.db2.gz ZIGLFBHZRSJNAP-LLVKDONJSA-N 1 0 293.367 2.787 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177878372 189075799 /nfs/dbraw/zinc/07/57/99/189075799.db2.gz LTUUSSNXXIEVOH-UTUOFQBUSA-N 1 0 291.351 2.652 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000178280405 189102282 /nfs/dbraw/zinc/10/22/82/189102282.db2.gz YDLWMQIZSAGFAD-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000178568641 189127611 /nfs/dbraw/zinc/12/76/11/189127611.db2.gz HHYVGBNWPJDUAE-CQSZACIVSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329593 238380499 /nfs/dbraw/zinc/38/04/99/238380499.db2.gz MXBJVZHUIIZKJQ-SWLSCSKDSA-N 1 0 277.368 2.635 20 5 CFBDRO CC[C@H]([NH2+]CCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000180485115 189257446 /nfs/dbraw/zinc/25/74/46/189257446.db2.gz MWBIYDUNUYKTDL-ZDUSSCGKSA-N 1 0 290.323 2.570 20 5 CFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751967 297306139 /nfs/dbraw/zinc/30/61/39/297306139.db2.gz XDVBPXZFJVLQAF-IOASZLSFSA-N 1 0 289.379 2.761 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000301430691 201006331 /nfs/dbraw/zinc/00/63/31/201006331.db2.gz GKSHWKFTBYTHGK-SNVBAGLBSA-N 1 0 297.330 2.637 20 5 CFBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662012 201122543 /nfs/dbraw/zinc/12/25/43/201122543.db2.gz UVMOJBRJBXWGKL-NEPJUHHUSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000183342587 189355769 /nfs/dbraw/zinc/35/57/69/189355769.db2.gz YEDMJRLHDMVOLB-QWHCGFSZSA-N 1 0 288.351 2.573 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1(O)CCCC1 ZINC000183355967 189356390 /nfs/dbraw/zinc/35/63/90/189356390.db2.gz NJRQTSQPHMSFCT-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301782172 201194707 /nfs/dbraw/zinc/19/47/07/201194707.db2.gz JYBMBTSMZIIFTE-ZDUSSCGKSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)Nc1sccc1[N+](=O)[O-] ZINC000301984658 201286707 /nfs/dbraw/zinc/28/67/07/201286707.db2.gz IZJUECHIFQGMPF-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1sccc1[N+](=O)[O-] ZINC000302018505 201301332 /nfs/dbraw/zinc/30/13/32/201301332.db2.gz MRYSVPIDVWPJQB-LLVKDONJSA-N 1 0 283.397 2.967 20 5 CFBDRO CN(CCC[NH+](C)C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000302043378 201317106 /nfs/dbraw/zinc/31/71/06/201317106.db2.gz XCRMQZBPDLQTHV-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO Cc1cc(NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302132739 201355533 /nfs/dbraw/zinc/35/55/33/201355533.db2.gz BZWQLJXDCJAMRX-UHFFFAOYSA-N 1 0 275.352 2.967 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CC(F)F)cccc1[N+](=O)[O-] ZINC000429459066 239632589 /nfs/dbraw/zinc/63/25/89/239632589.db2.gz ZSWXAIHEFFKULU-ZJUUUORDSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330382356 202757261 /nfs/dbraw/zinc/75/72/61/202757261.db2.gz IXWLMPBDSDBCHF-MJVIPROJSA-N 1 0 291.351 2.700 20 5 CFBDRO CC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000432782834 240042493 /nfs/dbraw/zinc/04/24/93/240042493.db2.gz VWFZTTLYVMSVKM-GFCCVEGCSA-N 1 0 290.367 2.666 20 5 CFBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000444646774 241157800 /nfs/dbraw/zinc/15/78/00/241157800.db2.gz FSCWENKMJZOLMW-UHFFFAOYSA-N 1 0 274.324 2.846 20 5 CFBDRO Cc1cc(C)cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000444712042 241176404 /nfs/dbraw/zinc/17/64/04/241176404.db2.gz YBTWETPDFUPYQU-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO Cc1c(CN2CCc3ncsc3C2)cccc1[N+](=O)[O-] ZINC000446082804 241275249 /nfs/dbraw/zinc/27/52/49/241275249.db2.gz RLHLJZPQTNGIKD-UHFFFAOYSA-N 1 0 289.360 2.918 20 5 CFBDRO CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447574407 241386848 /nfs/dbraw/zinc/38/68/48/241386848.db2.gz MZUROCHQNFTHJI-NEPJUHHUSA-N 1 0 278.356 2.665 20 5 CFBDRO CO[C@]1(C)C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000446961635 241342607 /nfs/dbraw/zinc/34/26/07/241342607.db2.gz BBBZXUBQPIBCGW-GDBMZVCRSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000449216402 241772809 /nfs/dbraw/zinc/77/28/09/241772809.db2.gz RYUXJDSRDFECKP-MBNYWOFBSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCOC1 ZINC000449240704 241788975 /nfs/dbraw/zinc/78/89/75/241788975.db2.gz ONDVRVSFWBXAAA-STQMWFEESA-N 1 0 278.352 2.542 20 5 CFBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000449632834 242081875 /nfs/dbraw/zinc/08/18/75/242081875.db2.gz NXNVSRQSNDTNLX-GJZGRUSLSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000449740575 242129170 /nfs/dbraw/zinc/12/91/70/242129170.db2.gz PYAYBDZDWOIKDO-WBMJQRKESA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449639535 242087375 /nfs/dbraw/zinc/08/73/75/242087375.db2.gz PHHGHEKRLRXNDW-ZIAGYGMSSA-N 1 0 266.341 2.542 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](O)CC ZINC000449639533 242088059 /nfs/dbraw/zinc/08/80/59/242088059.db2.gz PHHGHEKRLRXNDW-KGLIPLIRSA-N 1 0 266.341 2.542 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737054 299373391 /nfs/dbraw/zinc/37/33/91/299373391.db2.gz NUKSQDKDKHSXDQ-SGMGOOAPSA-N 1 0 277.368 2.728 20 5 CFBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000330680268 203110035 /nfs/dbraw/zinc/11/00/35/203110035.db2.gz FMOQFPNWYNVKRM-GFCCVEGCSA-N 1 0 284.381 2.951 20 5 CFBDRO CCOC(CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000276275575 193267675 /nfs/dbraw/zinc/26/76/75/193267675.db2.gz WQAVAKCJEVZING-UHFFFAOYSA-N 1 0 296.367 2.782 20 5 CFBDRO C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])[NH+](C)C ZINC000276403176 193317620 /nfs/dbraw/zinc/31/76/20/193317620.db2.gz AETHQAYLSUIPHT-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459765881 245311622 /nfs/dbraw/zinc/31/16/22/245311622.db2.gz PHDCZUZMGHEBJL-NWDGAFQWSA-N 1 0 288.351 2.610 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000459768742 245314735 /nfs/dbraw/zinc/31/47/35/245314735.db2.gz QQUPWYNFFKZXHC-AGIUHOORSA-N 1 0 276.336 2.882 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459774817 245318708 /nfs/dbraw/zinc/31/87/08/245318708.db2.gz JJCRLUIIQKVXQZ-AGIUHOORSA-N 1 0 276.336 2.752 20 5 CFBDRO Cc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955196 245375754 /nfs/dbraw/zinc/37/57/54/245375754.db2.gz FCTKBMRVYYQCIB-CMPLNLGQSA-N 1 0 281.331 2.937 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@H]1O ZINC000286755106 196696801 /nfs/dbraw/zinc/69/68/01/196696801.db2.gz YYOLDDNPRCNIGY-CHWSQXEVSA-N 1 0 284.743 2.593 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020092036 372229277 /nfs/dbraw/zinc/22/92/77/372229277.db2.gz VFWBSNOHTSHATJ-WFASDCNBSA-N 1 0 277.368 2.730 20 5 CFBDRO COCCOCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020192930 372234218 /nfs/dbraw/zinc/23/42/18/372234218.db2.gz ZZASIDRMRLPLAX-CYBMUJFWSA-N 1 0 296.367 2.607 20 5 CFBDRO CC[NH+](CC)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000027100547 372334464 /nfs/dbraw/zinc/33/44/64/372334464.db2.gz VFOGNPVUAPDOMW-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000036749264 372588741 /nfs/dbraw/zinc/58/87/41/372588741.db2.gz CFEPNROMUFUHDW-LLVKDONJSA-N 1 0 297.403 2.559 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037156936 372658977 /nfs/dbraw/zinc/65/89/77/372658977.db2.gz PLYWRZYDFNLBRD-VXGBXAGGSA-N 1 0 274.324 2.531 20 5 CFBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037126317 372652484 /nfs/dbraw/zinc/65/24/84/372652484.db2.gz SOZFUYBHYNAPOD-NEPJUHHUSA-N 1 0 293.367 2.502 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037156934 372660563 /nfs/dbraw/zinc/66/05/63/372660563.db2.gz PLYWRZYDFNLBRD-NWDGAFQWSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037718000 372692058 /nfs/dbraw/zinc/69/20/58/372692058.db2.gz QDKKNIKGVRIXKZ-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985886 372750274 /nfs/dbraw/zinc/75/02/74/372750274.db2.gz UYTDJDUJHRCGOK-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985907 372750380 /nfs/dbraw/zinc/75/03/80/372750380.db2.gz HEWCMFDKOKUUMO-MRVPVSSYSA-N 1 0 291.273 2.976 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000040775293 372789110 /nfs/dbraw/zinc/78/91/10/372789110.db2.gz VAFYFIZTQLVPAZ-WCQYABFASA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000040997522 372803027 /nfs/dbraw/zinc/80/30/27/372803027.db2.gz NHSMZWPDWPYJKM-UHFFFAOYSA-N 1 0 263.322 2.650 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044656671 373007906 /nfs/dbraw/zinc/00/79/06/373007906.db2.gz SLUCLTRLHIQBMI-LLVKDONJSA-N 1 0 252.314 2.672 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045657023 373024771 /nfs/dbraw/zinc/02/47/71/373024771.db2.gz ILPUPYHFXRMXLU-ZYHUDNBSSA-N 1 0 266.341 2.836 20 5 CFBDRO CC(C)CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000048583894 373205534 /nfs/dbraw/zinc/20/55/34/373205534.db2.gz UDJDGHYVSAJHAM-UHFFFAOYSA-N 1 0 279.340 2.511 20 5 CFBDRO CC(C)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442765 373296620 /nfs/dbraw/zinc/29/66/20/373296620.db2.gz BMDYZSZVCFVFQM-UHFFFAOYSA-N 1 0 279.340 2.511 20 5 CFBDRO CC(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049442739 373297002 /nfs/dbraw/zinc/29/70/02/373297002.db2.gz PCOPEIPQSOMJKZ-LLVKDONJSA-N 1 0 279.340 2.510 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000049558750 373311114 /nfs/dbraw/zinc/31/11/14/373311114.db2.gz LHVVPDOVNDRJND-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000049937546 373333450 /nfs/dbraw/zinc/33/34/50/373333450.db2.gz SPAIVJXQTKXAJJ-UHFFFAOYSA-N 1 0 257.721 2.612 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccccn2)c(Cl)c1 ZINC000049963170 373336783 /nfs/dbraw/zinc/33/67/83/373336783.db2.gz WHVDMFWWOJKJBT-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015613 373339806 /nfs/dbraw/zinc/33/98/06/373339806.db2.gz ZUDJQSDIYHIZBM-JSGCOSHPSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000050269255 373368492 /nfs/dbraw/zinc/36/84/92/373368492.db2.gz KBACIVAYVZYEME-RISCZKNCSA-N 1 0 262.309 2.938 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+](C(C)C)C(C)C ZINC000052812181 373450183 /nfs/dbraw/zinc/45/01/83/373450183.db2.gz MJIUECNDFKUVSK-UHFFFAOYSA-N 1 0 280.372 2.829 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000052812489 373451015 /nfs/dbraw/zinc/45/10/15/373451015.db2.gz HPVFWKUGFCBJMP-GFCCVEGCSA-N 1 0 292.383 2.832 20 5 CFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196095 373562720 /nfs/dbraw/zinc/56/27/20/373562720.db2.gz FVYWDQNEVWPZEM-SDDRHHMPSA-N 1 0 293.367 2.549 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000062010326 373743986 /nfs/dbraw/zinc/74/39/86/373743986.db2.gz XCORDNJJBBXUIM-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351296 373759469 /nfs/dbraw/zinc/75/94/69/373759469.db2.gz SJSCSOWDXFPUPO-FZMZJTMJSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000062999671 373778691 /nfs/dbraw/zinc/77/86/91/373778691.db2.gz DFUVRNMWDQNBGO-LRDDRELGSA-N 1 0 286.331 2.979 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000289529985 197390451 /nfs/dbraw/zinc/39/04/51/197390451.db2.gz BVHJZFOZBOQKAS-JTQLQIEISA-N 1 0 299.396 2.507 20 5 CFBDRO Cc1ccnc(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000070496120 374188026 /nfs/dbraw/zinc/18/80/26/374188026.db2.gz YEZMWMKCZDKMOZ-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CCC(CC)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000073756627 374379877 /nfs/dbraw/zinc/37/98/77/374379877.db2.gz ABGDXZLYTCXEAX-CYBMUJFWSA-N 1 0 280.372 2.768 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1csc([N+](=O)[O-])c1 ZINC000075860940 374508409 /nfs/dbraw/zinc/50/84/09/374508409.db2.gz SFYUCBQBUSMNGH-ZDUSSCGKSA-N 1 0 297.424 2.963 20 5 CFBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000492818949 246396429 /nfs/dbraw/zinc/39/64/29/246396429.db2.gz QICPVTVZWGZAJB-RYUDHWBXSA-N 1 0 280.372 2.777 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451774938 383703468 /nfs/dbraw/zinc/70/34/68/383703468.db2.gz CEYFEHCRARQHTM-ZDUSSCGKSA-N 1 0 280.368 2.824 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000083417646 374743778 /nfs/dbraw/zinc/74/37/78/374743778.db2.gz CLDCEKNPEQRYLB-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)c1 ZINC000090794485 375028329 /nfs/dbraw/zinc/02/83/29/375028329.db2.gz CKEXPVSARQZKHK-UHFFFAOYSA-N 1 0 279.340 2.501 20 5 CFBDRO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000093614754 375278180 /nfs/dbraw/zinc/27/81/80/375278180.db2.gz QEWPKABQXKMGKV-CABCVRRESA-N 1 0 289.379 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000094368161 375357376 /nfs/dbraw/zinc/35/73/76/375357376.db2.gz ZJAVXXJHVSKWPB-ZDUSSCGKSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000571603998 383708424 /nfs/dbraw/zinc/70/84/24/383708424.db2.gz WWAGBNARAVVNKJ-OAHLLOKOSA-N 1 0 283.331 2.979 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097439158 375560146 /nfs/dbraw/zinc/56/01/46/375560146.db2.gz TYOQERHVFBVXDF-RISCZKNCSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097439159 375560472 /nfs/dbraw/zinc/56/04/72/375560472.db2.gz TYOQERHVFBVXDF-BXUZGUMPSA-N 1 0 266.341 2.654 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(O)(CC)CC ZINC000101596108 375644722 /nfs/dbraw/zinc/64/47/22/375644722.db2.gz RSSADIDPQQUFRB-UHFFFAOYSA-N 1 0 296.367 2.634 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102410255 375672801 /nfs/dbraw/zinc/67/28/01/375672801.db2.gz BRGQPNMRZVHYJQ-CQSZACIVSA-N 1 0 286.335 2.628 20 5 CFBDRO Cc1c(CN(C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842799 376319454 /nfs/dbraw/zinc/31/94/54/376319454.db2.gz APRBRPUQRMJUGH-CQSZACIVSA-N 1 0 291.395 2.677 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCOCC1)C1CC1 ZINC000119000285 376334855 /nfs/dbraw/zinc/33/48/55/376334855.db2.gz KFSZDYUCYTZOMB-HNNXBMFYSA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@H]1SCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000118414589 376295892 /nfs/dbraw/zinc/29/58/92/376295892.db2.gz UZVLXEGGDMEVBV-WDEREUQCSA-N 1 0 266.366 2.921 20 5 CFBDRO CC[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119821114 376480574 /nfs/dbraw/zinc/48/05/74/376480574.db2.gz FIXSLCIBPDKUNQ-QWRGUYRKSA-N 1 0 279.340 2.700 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119901922 376502444 /nfs/dbraw/zinc/50/24/44/376502444.db2.gz WUXYDRQDXPDQOJ-GFCCVEGCSA-N 1 0 266.366 2.841 20 5 CFBDRO C[N@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000120614028 376652568 /nfs/dbraw/zinc/65/25/68/376652568.db2.gz HVGXSTGTQTZDNR-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000121071033 376757260 /nfs/dbraw/zinc/75/72/60/376757260.db2.gz WLOBTUFCVSHRDN-CYBMUJFWSA-N 1 0 296.392 2.931 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124056682 377011963 /nfs/dbraw/zinc/01/19/63/377011963.db2.gz KSDSFXWBIIFGHM-MNOVXSKESA-N 1 0 298.770 2.984 20 5 CFBDRO CC(C)CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000124855221 377097622 /nfs/dbraw/zinc/09/76/22/377097622.db2.gz VCPRHWNQBLAFPW-UHFFFAOYSA-N 1 0 294.399 2.940 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCSC2)cs1 ZINC000129242112 377403281 /nfs/dbraw/zinc/40/32/81/377403281.db2.gz ZTZCDLNNLHETQM-SECBINFHSA-N 1 0 258.368 2.642 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000131737621 377753885 /nfs/dbraw/zinc/75/38/85/377753885.db2.gz JLNPPSSMBKENCM-QJPTWQEYSA-N 1 0 266.341 2.571 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000132515615 377849589 /nfs/dbraw/zinc/84/95/89/377849589.db2.gz AICZAYANVZFIOJ-UHFFFAOYSA-N 1 0 287.319 2.501 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000133293239 377918659 /nfs/dbraw/zinc/91/86/59/377918659.db2.gz CUMHQNMQWRJVQP-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000133905769 377966349 /nfs/dbraw/zinc/96/63/49/377966349.db2.gz VNZCDLXIHVGSRK-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000134915558 378064354 /nfs/dbraw/zinc/06/43/54/378064354.db2.gz ABWYXZGTAPCHTB-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO CC(C)COCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135457760 378134094 /nfs/dbraw/zinc/13/40/94/378134094.db2.gz AUQDCCQYFLPITO-LBPRGKRZSA-N 1 0 266.341 2.918 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+](C)C(C)C ZINC000149578645 378266124 /nfs/dbraw/zinc/26/61/24/378266124.db2.gz FDPHQBSOAOAZSK-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150810184 378272407 /nfs/dbraw/zinc/27/24/07/378272407.db2.gz CEZQFJHMTATPCG-AWEZNQCLSA-N 1 0 289.379 2.513 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152836528 378451672 /nfs/dbraw/zinc/45/16/72/378451672.db2.gz VSZKRRBMRDPCNR-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330368049 378537274 /nfs/dbraw/zinc/53/72/74/378537274.db2.gz KACUSLSIYVTRMW-ONGXEEELSA-N 1 0 295.314 2.870 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000330391785 378543240 /nfs/dbraw/zinc/54/32/40/378543240.db2.gz ABEBFTPPSSSVNQ-ZWNOBZJWSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@H]1C ZINC000330395691 378545033 /nfs/dbraw/zinc/54/50/33/378545033.db2.gz FGTKULXOFARTPH-PWSUYJOCSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)[C@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000330497295 378571297 /nfs/dbraw/zinc/57/12/97/378571297.db2.gz XKQOXYLSRWKWDG-WFASDCNBSA-N 1 0 278.352 2.950 20 5 CFBDRO CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000154526020 378576507 /nfs/dbraw/zinc/57/65/07/378576507.db2.gz NTRADRNHFYVGGM-WCQYABFASA-N 1 0 293.367 2.598 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000331270800 378660758 /nfs/dbraw/zinc/66/07/58/378660758.db2.gz ATQRGEROYZSITG-NORZTCDRSA-N 1 0 292.379 2.885 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCC(C)(C)CC1 ZINC000331329380 378670366 /nfs/dbraw/zinc/67/03/66/378670366.db2.gz RXUZYYOKDMEBIE-UHFFFAOYSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1c(C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331191858 378647449 /nfs/dbraw/zinc/64/74/49/378647449.db2.gz QAKNNOMLZRXOQL-WFASDCNBSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCCO1)CC2 ZINC000332574981 378777005 /nfs/dbraw/zinc/77/70/05/378777005.db2.gz CDBSASMOHOEBBK-INIZCTEOSA-N 1 0 290.363 2.912 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000162763335 378930932 /nfs/dbraw/zinc/93/09/32/378930932.db2.gz WWEBCDVPNKPGIW-WCQYABFASA-N 1 0 266.341 2.571 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000278555486 194041865 /nfs/dbraw/zinc/04/18/65/194041865.db2.gz BYEADRRSDMQWIM-UHFFFAOYSA-N 1 0 290.363 2.627 20 5 CFBDRO CC[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278599751 194062877 /nfs/dbraw/zinc/06/28/77/194062877.db2.gz FQRIHZQEMKJDFO-SECBINFHSA-N 1 0 262.313 2.607 20 5 CFBDRO CCC[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278602443 194064797 /nfs/dbraw/zinc/06/47/97/194064797.db2.gz FVTOFAAQJAAJNB-JTQLQIEISA-N 1 0 276.340 2.997 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000165261448 379035486 /nfs/dbraw/zinc/03/54/86/379035486.db2.gz YDTQRCDTWANFJR-WHOFXGATSA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@@H](CC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278670025 194094304 /nfs/dbraw/zinc/09/43/04/194094304.db2.gz LMWIHIJXTXCFLE-VIFPVBQESA-N 1 0 274.324 2.749 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000168138242 379081907 /nfs/dbraw/zinc/08/19/07/379081907.db2.gz IJHUCTAGZVZPNJ-GFCCVEGCSA-N 1 0 270.716 2.517 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171691606 379374652 /nfs/dbraw/zinc/37/46/52/379374652.db2.gz WEHYZFQGOHCJDO-SNVBAGLBSA-N 1 0 252.339 2.532 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171951759 379449555 /nfs/dbraw/zinc/44/95/55/379449555.db2.gz FUPYZLZBZNCLOM-LLVKDONJSA-N 1 0 294.351 2.939 20 5 CFBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)COC1 ZINC000341552558 220268268 /nfs/dbraw/zinc/26/82/68/220268268.db2.gz GVULFEHBSUZPNC-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173375435 379731658 /nfs/dbraw/zinc/73/16/58/379731658.db2.gz FEQSZRBXIFOTRQ-STQMWFEESA-N 1 0 279.384 2.976 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000173615956 379757620 /nfs/dbraw/zinc/75/76/20/379757620.db2.gz CKKZPMDKGFCCNX-UHFFFAOYSA-N 1 0 297.742 2.671 20 5 CFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1nccs1 ZINC000175107444 379998190 /nfs/dbraw/zinc/99/81/90/379998190.db2.gz GRCUOOIPGUVYBH-UHFFFAOYSA-N 1 0 293.348 2.562 20 5 CFBDRO CSCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179240772 380521662 /nfs/dbraw/zinc/52/16/62/380521662.db2.gz YUEPAAADAPXJEZ-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000572015085 383747562 /nfs/dbraw/zinc/74/75/62/383747562.db2.gz KEZLBZDRZXUFOJ-GYSYKLTISA-N 1 0 276.336 2.739 20 5 CFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000336806176 380662779 /nfs/dbraw/zinc/66/27/79/380662779.db2.gz JZEXEQRXRZAWTH-MJVIPROJSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336814161 380674608 /nfs/dbraw/zinc/67/46/08/380674608.db2.gz WLDVQEIVDINTTL-SNVBAGLBSA-N 1 0 286.759 2.841 20 5 CFBDRO C[C@@H]1CCC[C@H](CO)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181387997 380785882 /nfs/dbraw/zinc/78/58/82/380785882.db2.gz JTZYVMLCZGPWPZ-ZWNOBZJWSA-N 1 0 298.770 2.984 20 5 CFBDRO COCC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295338992 380796709 /nfs/dbraw/zinc/79/67/09/380796709.db2.gz HVVZEHWIWIXYKV-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000287432278 380830179 /nfs/dbraw/zinc/83/01/79/380830179.db2.gz QRQLQRKGEVVZOT-SNVBAGLBSA-N 1 0 283.759 2.636 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000353849871 380899769 /nfs/dbraw/zinc/89/97/69/380899769.db2.gz KYBARHSZOVLHBM-YPMHNXCESA-N 1 0 278.352 2.572 20 5 CFBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000368075408 380914005 /nfs/dbraw/zinc/91/40/05/380914005.db2.gz YMZYBFCNQNYOEV-OAHLLOKOSA-N 1 0 286.335 2.547 20 5 CFBDRO C[C@H]1C[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146367 380915260 /nfs/dbraw/zinc/91/52/60/380915260.db2.gz ZFMMOBFFZQXRQG-STQMWFEESA-N 1 0 290.363 2.768 20 5 CFBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347128409 380959726 /nfs/dbraw/zinc/95/97/26/380959726.db2.gz PHPLGLXKLPAHPC-NSHDSACASA-N 1 0 289.335 2.634 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCSC2)cs1 ZINC000288564821 197114160 /nfs/dbraw/zinc/11/41/60/197114160.db2.gz ZABSAZSGIOQDKQ-SECBINFHSA-N 1 0 272.395 2.889 20 5 CFBDRO CCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182050296 380975953 /nfs/dbraw/zinc/97/59/53/380975953.db2.gz WGZQAQCJHRGKNI-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347235001 381019737 /nfs/dbraw/zinc/01/97/37/381019737.db2.gz ZYYRYDAIHSELJS-ZDSVCRJJSA-N 1 0 289.379 2.667 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCOC1 ZINC000182216574 381025776 /nfs/dbraw/zinc/02/57/76/381025776.db2.gz OBEAGNRGQNQIOG-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(C3CC3)CC2)c1 ZINC000368335443 380994235 /nfs/dbraw/zinc/99/42/35/380994235.db2.gz IEKWXDPYLGTWIM-MRXNPFEDSA-N 1 0 290.363 2.750 20 5 CFBDRO C[C@H]([NH2+]CCCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000182144086 381000983 /nfs/dbraw/zinc/00/09/83/381000983.db2.gz CHHPXIGORHBTMB-LBPRGKRZSA-N 1 0 266.341 2.798 20 5 CFBDRO CN(C)CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000341507508 381054807 /nfs/dbraw/zinc/05/48/07/381054807.db2.gz DFSDHFVHFOEZEY-YVMONPNESA-N 1 0 289.379 2.682 20 5 CFBDRO C=Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000289612072 381067780 /nfs/dbraw/zinc/06/77/80/381067780.db2.gz VTRWVYTXEPWRJT-UHFFFAOYSA-N 1 0 286.335 2.566 20 5 CFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411958159 381073391 /nfs/dbraw/zinc/07/33/91/381073391.db2.gz WRVDKIFGNIOSFW-IAQYHMDHSA-N 1 0 278.352 2.888 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000182266658 381044614 /nfs/dbraw/zinc/04/46/14/381044614.db2.gz IYYJGZQRPHEAAS-ZFWWWQNUSA-N 1 0 294.351 2.651 20 5 CFBDRO COCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347347319 381087527 /nfs/dbraw/zinc/08/75/27/381087527.db2.gz WUYVIOZCUCFALK-FMIVXFBMSA-N 1 0 264.325 2.576 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(F)C1 ZINC000347350088 381089061 /nfs/dbraw/zinc/08/90/61/381089061.db2.gz JFTGEYAEYSATPB-AWEZNQCLSA-N 1 0 282.315 2.927 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000295811242 381091442 /nfs/dbraw/zinc/09/14/42/381091442.db2.gz AAHRTWCDMYUEIK-BXUZGUMPSA-N 1 0 286.335 2.629 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412019022 381093418 /nfs/dbraw/zinc/09/34/18/381093418.db2.gz DDIDVTOWPXZAKD-NSHDSACASA-N 1 0 294.351 2.651 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000347442148 381154469 /nfs/dbraw/zinc/15/44/69/381154469.db2.gz DQBNIVKBESLXJO-UHFFFAOYSA-N 1 0 294.351 2.603 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000295876140 381130018 /nfs/dbraw/zinc/13/00/18/381130018.db2.gz GORPSGPMXPNQJR-UTUOFQBUSA-N 1 0 296.392 2.578 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000347526114 381200945 /nfs/dbraw/zinc/20/09/45/381200945.db2.gz DVMIWKVOZWQNTJ-GFCCVEGCSA-N 1 0 292.364 2.631 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183065883 381208783 /nfs/dbraw/zinc/20/87/83/381208783.db2.gz ZIHGJAWVTVSHIM-NEPJUHHUSA-N 1 0 293.367 2.948 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CCCOC1 ZINC000342291435 381251523 /nfs/dbraw/zinc/25/15/23/381251523.db2.gz FLRCEIXLBOMMSS-JYRVWZFOSA-N 1 0 288.347 2.934 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000359086580 381256631 /nfs/dbraw/zinc/25/66/31/381256631.db2.gz VQUVWNBZMNEIMU-STQMWFEESA-N 1 0 292.383 2.891 20 5 CFBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616374 381257492 /nfs/dbraw/zinc/25/74/92/381257492.db2.gz LSZODEWKAJQYEB-QWHCGFSZSA-N 1 0 294.399 2.938 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342287629 381248523 /nfs/dbraw/zinc/24/85/23/381248523.db2.gz AYKPBISSVLYFLX-GHMZBOCLSA-N 1 0 268.288 2.584 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290093500 381295850 /nfs/dbraw/zinc/29/58/50/381295850.db2.gz HNPQVJPLKRCFCN-CHWSQXEVSA-N 1 0 279.384 2.974 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000195196093 270250990 /nfs/dbraw/zinc/25/09/90/270250990.db2.gz IOBDVZMQLMOIRF-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO CCSCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296202590 381298750 /nfs/dbraw/zinc/29/87/50/381298750.db2.gz ZHLMJIUDPUHKCD-JTQLQIEISA-N 1 0 254.355 2.999 20 5 CFBDRO CCC1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000296203968 381300346 /nfs/dbraw/zinc/30/03/46/381300346.db2.gz JJPTTWVCHFJDSK-AWEZNQCLSA-N 1 0 278.352 2.941 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](SC)C1 ZINC000296204279 381301269 /nfs/dbraw/zinc/30/12/69/381301269.db2.gz JKNMWGIONJVQOC-GFCCVEGCSA-N 1 0 282.365 2.541 20 5 CFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000354538155 381328647 /nfs/dbraw/zinc/32/86/47/381328647.db2.gz GAJQBIKCQYVXFO-ZFWWWQNUSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N)cc1[N+](=O)[O-] ZINC000290128755 381312915 /nfs/dbraw/zinc/31/29/15/381312915.db2.gz UWPGZZLKCSVVHH-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000370071538 381376739 /nfs/dbraw/zinc/37/67/39/381376739.db2.gz TXHYFHOXIUZQRX-CHWSQXEVSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H]1COCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370181545 381399302 /nfs/dbraw/zinc/39/93/02/381399302.db2.gz GYYRECARWJVTKP-DIECRNLCSA-N 1 0 276.336 2.576 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000354744993 381433123 /nfs/dbraw/zinc/43/31/23/381433123.db2.gz IVVDUSHQMJCNGF-QSOAKEGCSA-N 1 0 290.363 2.845 20 5 CFBDRO COc1ccc(C[N@H+](C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342611414 381433609 /nfs/dbraw/zinc/43/36/09/381433609.db2.gz XRAQFBAICXCGLV-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCOC2 ZINC000354774888 381447734 /nfs/dbraw/zinc/44/77/34/381447734.db2.gz SEWXSEUABRLDTM-QPEQYQDCSA-N 1 0 288.347 2.720 20 5 CFBDRO COc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501063 381453859 /nfs/dbraw/zinc/45/38/59/381453859.db2.gz AROJGQSYQATHPX-GHMZBOCLSA-N 1 0 291.351 2.641 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@H+](C)C(C)C ZINC000290646484 381510045 /nfs/dbraw/zinc/51/00/45/381510045.db2.gz IIZJUCUAMOBQCL-GFCCVEGCSA-N 1 0 295.383 2.882 20 5 CFBDRO CC1(C)CN(Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000370922222 381515466 /nfs/dbraw/zinc/51/54/66/381515466.db2.gz IGPMHRFEBLDJKI-UHFFFAOYSA-N 1 0 270.354 2.657 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccnn1C ZINC000348397852 381550748 /nfs/dbraw/zinc/55/07/48/381550748.db2.gz GWUHHVJXQGFBDD-LLVKDONJSA-N 1 0 274.324 2.521 20 5 CFBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000342778594 381533908 /nfs/dbraw/zinc/53/39/08/381533908.db2.gz JJOFEKUNWCOEOK-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000355045301 381581159 /nfs/dbraw/zinc/58/11/59/381581159.db2.gz WIVQDQOZLMCBEU-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290875086 381582559 /nfs/dbraw/zinc/58/25/59/381582559.db2.gz LNUWVFOOZFKRFL-SECBINFHSA-N 1 0 293.150 2.762 20 5 CFBDRO COc1cccc(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000185181986 381555283 /nfs/dbraw/zinc/55/52/83/381555283.db2.gz AVXFIVQFEQIOMN-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342823127 381570144 /nfs/dbraw/zinc/57/01/44/381570144.db2.gz UZUQBXHJHLMOEV-NSHDSACASA-N 1 0 280.368 2.967 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1[NH2+]CCCC1(C)C ZINC000414927520 381618477 /nfs/dbraw/zinc/61/84/77/381618477.db2.gz MDOLHGKWHWHLPA-OAHLLOKOSA-N 1 0 291.395 2.771 20 5 CFBDRO CO[C@@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000291001431 381627304 /nfs/dbraw/zinc/62/73/04/381627304.db2.gz BZLPHIZHMOLMQH-HNNXBMFYSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1c(CN2CC[N@@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569560 381639240 /nfs/dbraw/zinc/63/92/40/381639240.db2.gz GVOPNEHBVCCOQQ-MRXNPFEDSA-N 1 0 291.395 2.675 20 5 CFBDRO Cc1c(CN2CC[N@@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000348569559 381639395 /nfs/dbraw/zinc/63/93/95/381639395.db2.gz GVOPNEHBVCCOQQ-INIZCTEOSA-N 1 0 291.395 2.675 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCOC1 ZINC000298581400 381678776 /nfs/dbraw/zinc/67/87/76/381678776.db2.gz VGXLLLUBTRHHQA-NWDGAFQWSA-N 1 0 264.325 2.624 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000355213500 381683268 /nfs/dbraw/zinc/68/32/68/381683268.db2.gz RCZYGTJXBCLWAD-OLZOCXBDSA-N 1 0 296.392 2.905 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000360047433 381748838 /nfs/dbraw/zinc/74/88/38/381748838.db2.gz LHCMDKLLJLSVGN-NEPJUHHUSA-N 1 0 295.358 2.961 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415065717 381752121 /nfs/dbraw/zinc/75/21/21/381752121.db2.gz HLZALMYVJPSANG-CQSZACIVSA-N 1 0 291.395 2.950 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[NH3+])C1CCCC1 ZINC000415071993 381755617 /nfs/dbraw/zinc/75/56/17/381755617.db2.gz XGYLPTJTIAPPCA-HNNXBMFYSA-N 1 0 277.368 2.510 20 5 CFBDRO [NH3+]C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071573 381755927 /nfs/dbraw/zinc/75/59/27/381755927.db2.gz WOYFIDXKKMJZMF-HMZQOCAUSA-N 1 0 289.379 2.715 20 5 CFBDRO CC(C)OC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000185851592 381757558 /nfs/dbraw/zinc/75/75/58/381757558.db2.gz WBXIPORXILIBGF-UHFFFAOYSA-N 1 0 264.325 2.640 20 5 CFBDRO CCC[C@@H](C)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271860 381783385 /nfs/dbraw/zinc/78/33/85/381783385.db2.gz DWYRRWRUIDXUAL-OLZOCXBDSA-N 1 0 280.372 2.864 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOC1 ZINC000292028433 381787245 /nfs/dbraw/zinc/78/72/45/381787245.db2.gz YVMIRAUIQNUWIJ-LBPRGKRZSA-N 1 0 282.315 2.733 20 5 CFBDRO C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000415128970 381796681 /nfs/dbraw/zinc/79/66/81/381796681.db2.gz OZAVTSLIQZKFES-CWNOIDMWSA-N 1 0 289.379 2.525 20 5 CFBDRO Cc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348919801 381766238 /nfs/dbraw/zinc/76/62/38/381766238.db2.gz HPHZFSHNYUHFCU-UHFFFAOYSA-N 1 0 285.347 2.869 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000299098712 381823230 /nfs/dbraw/zinc/82/32/30/381823230.db2.gz YWOOJWYQNZVPOY-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292781254 381833127 /nfs/dbraw/zinc/83/31/27/381833127.db2.gz LLDACNNNPQVAPZ-HNNXBMFYSA-N 1 0 292.379 2.872 20 5 CFBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415413722 381840904 /nfs/dbraw/zinc/84/09/04/381840904.db2.gz DUHOHCNCYXXOCI-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292376341 381801412 /nfs/dbraw/zinc/80/14/12/381801412.db2.gz SIMMXPNOSLIZLK-CYBMUJFWSA-N 1 0 289.379 2.905 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000343631119 381856435 /nfs/dbraw/zinc/85/64/35/381856435.db2.gz NBCZAHVFLNOIEN-KBPBESRZSA-N 1 0 289.379 2.966 20 5 CFBDRO O=[N+]([O-])c1cccnc1NCCCCC[NH+]1CCCC1 ZINC000292930529 381908149 /nfs/dbraw/zinc/90/81/49/381908149.db2.gz ZILBLTWFPBDJLT-UHFFFAOYSA-N 1 0 278.356 2.668 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373279307 381967555 /nfs/dbraw/zinc/96/75/55/381967555.db2.gz SJBUFZXARQHQLO-XHDPSFHLSA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCCC1 ZINC000343798577 381948517 /nfs/dbraw/zinc/94/85/17/381948517.db2.gz NATZGLISELHALT-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000186735063 381996912 /nfs/dbraw/zinc/99/69/12/381996912.db2.gz GSLFIHPZWKAKAU-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)ccc1Cl ZINC000373298907 381974254 /nfs/dbraw/zinc/97/42/54/381974254.db2.gz LBWLGLYOTWRRPL-AWEZNQCLSA-N 1 0 296.754 2.595 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273699 382057685 /nfs/dbraw/zinc/05/76/85/382057685.db2.gz CLUBNEURJXVIPQ-NWDGAFQWSA-N 1 0 294.399 2.558 20 5 CFBDRO C[NH+](C)CCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297706 382034120 /nfs/dbraw/zinc/03/41/20/382034120.db2.gz JHKZQOPHGBWMSA-INIZCTEOSA-N 1 0 291.395 2.904 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307205 382035795 /nfs/dbraw/zinc/03/57/95/382035795.db2.gz GUNKXDRIAUJUBN-LRDDRELGSA-N 1 0 292.379 2.970 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000344090308 382122282 /nfs/dbraw/zinc/12/22/82/382122282.db2.gz MBTKSSOQIIGFFJ-KBPBESRZSA-N 1 0 278.352 2.542 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344093217 382123779 /nfs/dbraw/zinc/12/37/79/382123779.db2.gz DVHLQGLAXSISQB-ZLKJLUDKSA-N 1 0 278.352 2.744 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418110244 382125418 /nfs/dbraw/zinc/12/54/18/382125418.db2.gz WAZGSLXUJFOBES-GAILZXDNSA-N 1 0 276.336 2.501 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362446834 382073665 /nfs/dbraw/zinc/07/36/65/382073665.db2.gz AWSUTUWOQHSUGV-GDBMZVCRSA-N 1 0 290.363 2.904 20 5 CFBDRO CCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301274450 382131397 /nfs/dbraw/zinc/13/13/97/382131397.db2.gz LIBFZXAHNRSFQR-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301295442 382139805 /nfs/dbraw/zinc/13/98/05/382139805.db2.gz XDGLZSOARAIURH-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000352033007 382142164 /nfs/dbraw/zinc/14/21/64/382142164.db2.gz PTYJUEPZUBVLPW-CQSZACIVSA-N 1 0 292.360 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC000344211066 382202164 /nfs/dbraw/zinc/20/21/64/382202164.db2.gz JGLFHFZGPVDFFJ-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO C[N@H+](CCc1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000344230826 382216470 /nfs/dbraw/zinc/21/64/70/382216470.db2.gz YHNQZSNWLFKVFU-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO Cc1nc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363449417 382233540 /nfs/dbraw/zinc/23/35/40/382233540.db2.gz KNEMXCMCTLHDEG-CQSZACIVSA-N 1 0 298.346 2.897 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419334515 382289957 /nfs/dbraw/zinc/28/99/57/382289957.db2.gz VOOAEPGGDPRXPU-CHWSQXEVSA-N 1 0 294.399 2.938 20 5 CFBDRO C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCN1C ZINC000344335124 382261390 /nfs/dbraw/zinc/26/13/90/382261390.db2.gz RDWVZVPMJXTFMD-VZFGUZNESA-N 1 0 289.379 2.680 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420290597 382344114 /nfs/dbraw/zinc/34/41/14/382344114.db2.gz UQQISDPVBPKSRU-BDAKNGLRSA-N 1 0 285.294 2.802 20 5 CFBDRO COC1(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000293866005 382314295 /nfs/dbraw/zinc/31/42/95/382314295.db2.gz ZHECEWJYJXSIAA-LLVKDONJSA-N 1 0 293.367 2.787 20 5 CFBDRO COc1cc(C[N@H+](C)CC2CCC2)ccc1[N+](=O)[O-] ZINC000352424284 382326092 /nfs/dbraw/zinc/32/60/92/382326092.db2.gz DXGWIDHBOIFZSV-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CC[NH+](C)C ZINC000302819659 382326470 /nfs/dbraw/zinc/32/64/70/382326470.db2.gz JHWSMWWHJUGQQU-UHFFFAOYSA-N 1 0 271.748 2.554 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420290509 382343095 /nfs/dbraw/zinc/34/30/95/382343095.db2.gz UNXRFIJRNLOTTI-QWRGUYRKSA-N 1 0 281.331 2.972 20 5 CFBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000419353590 382294848 /nfs/dbraw/zinc/29/48/48/382294848.db2.gz LLXLUMGIHCZXSE-GMTAPVOTSA-N 1 0 288.351 2.947 20 5 CFBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000420356903 382380547 /nfs/dbraw/zinc/38/05/47/382380547.db2.gz CYPXBWLPKGGORJ-NWJSVONSSA-N 1 0 277.368 2.632 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188117258 382347881 /nfs/dbraw/zinc/34/78/81/382347881.db2.gz GJUWYQFRFIYJQL-ONGXEEELSA-N 1 0 252.314 2.589 20 5 CFBDRO CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000346590402 382426879 /nfs/dbraw/zinc/42/68/79/382426879.db2.gz FBQZXNKGEZHGGD-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO C[NH+](C)C1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000420620161 382429566 /nfs/dbraw/zinc/42/95/66/382429566.db2.gz BJXUYNWQUKMLJR-UHFFFAOYSA-N 1 0 263.341 2.880 20 5 CFBDRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294079961 382407940 /nfs/dbraw/zinc/40/79/40/382407940.db2.gz IJKXSDSGGPLOTH-NSHDSACASA-N 1 0 297.358 2.995 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000378162173 382409083 /nfs/dbraw/zinc/40/90/83/382409083.db2.gz RCQGOMUSRQCGCL-LBPRGKRZSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000352608818 382414632 /nfs/dbraw/zinc/41/46/32/382414632.db2.gz OUURYFBJSOULQF-WCQYABFASA-N 1 0 294.326 2.592 20 5 CFBDRO CC(C)c1ccc(CN2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000346668236 382462413 /nfs/dbraw/zinc/46/24/13/382462413.db2.gz SUQBBMBKNKQADD-UHFFFAOYSA-N 1 0 277.368 2.641 20 5 CFBDRO Cc1ccc(CN(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000346692855 382475647 /nfs/dbraw/zinc/47/56/47/382475647.db2.gz JJOZBFFNRSAADC-AWEZNQCLSA-N 1 0 279.384 2.708 20 5 CFBDRO Cc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000346692856 382476792 /nfs/dbraw/zinc/47/67/92/382476792.db2.gz JJOZBFFNRSAADC-CQSZACIVSA-N 1 0 279.384 2.708 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421399978 382518233 /nfs/dbraw/zinc/51/82/33/382518233.db2.gz JDDXKVVFBODUFG-OVHOFWQVSA-N 1 0 288.347 2.863 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)O1 ZINC000294949802 382545907 /nfs/dbraw/zinc/54/59/07/382545907.db2.gz CCBNPSXRDLXEHW-JRKPZEMJSA-N 1 0 284.743 2.904 20 5 CFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791489 382576418 /nfs/dbraw/zinc/57/64/18/382576418.db2.gz NMQVWRXHWXFCGZ-FZMZJTMJSA-N 1 0 298.770 2.841 20 5 CFBDRO CCC[C@H]([NH2+]CCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358329804 382570898 /nfs/dbraw/zinc/57/08/98/382570898.db2.gz PCKWPUYPVWIWTF-HNNXBMFYSA-N 1 0 277.368 2.731 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000382418966 382530746 /nfs/dbraw/zinc/53/07/46/382530746.db2.gz IUXYFXPYYRRBPM-GHMZBOCLSA-N 1 0 286.335 2.825 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1 ZINC000189077662 382537798 /nfs/dbraw/zinc/53/77/98/382537798.db2.gz PZOOEKNKFIGVSN-CYBMUJFWSA-N 1 0 293.342 2.799 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000189293721 382584200 /nfs/dbraw/zinc/58/42/00/382584200.db2.gz KQDLEPQEQQLXAH-IPYPFGDCSA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000394058541 382625591 /nfs/dbraw/zinc/62/55/91/382625591.db2.gz DTEHPWHHXZGANG-DGCLKSJQSA-N 1 0 266.341 2.510 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000394034324 382625680 /nfs/dbraw/zinc/62/56/80/382625680.db2.gz FTIGVCQECJYIDS-TZMCWYRMSA-N 1 0 280.368 2.818 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000394085494 382626117 /nfs/dbraw/zinc/62/61/17/382626117.db2.gz NARSZUYBAOAKAD-DGCLKSJQSA-N 1 0 266.341 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000189932646 382645916 /nfs/dbraw/zinc/64/59/16/382645916.db2.gz OBAXCSYXOJBEIY-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1cccs1 ZINC000190302390 382661309 /nfs/dbraw/zinc/66/13/09/382661309.db2.gz GJUVQNWCVRAHIJ-MRVPVSSYSA-N 1 0 298.393 2.828 20 5 CFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191293960 382697893 /nfs/dbraw/zinc/69/78/93/382697893.db2.gz DUCUPEDOHISEID-KGLIPLIRSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC)CCCC1 ZINC000336849425 382735198 /nfs/dbraw/zinc/73/51/98/382735198.db2.gz RMTNOSGUHYZJOQ-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO CC[NH+]1CCC(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000192466016 382709094 /nfs/dbraw/zinc/70/90/94/382709094.db2.gz UWWSPYVEXBCEEC-UHFFFAOYSA-N 1 0 284.385 2.585 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000192454469 382709200 /nfs/dbraw/zinc/70/92/00/382709200.db2.gz KCKJHSDOPCQRTC-JTQLQIEISA-N 1 0 284.385 2.728 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1SCC[NH+](CC)CC ZINC000192633001 382710859 /nfs/dbraw/zinc/71/08/59/382710859.db2.gz VIBRQFMAAZUQIW-UHFFFAOYSA-N 1 0 286.401 2.554 20 5 CFBDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858954 382712920 /nfs/dbraw/zinc/71/29/20/382712920.db2.gz SGJFLEYRAIUEKO-LYRGGWFBSA-N 1 0 292.379 2.969 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858494 382712968 /nfs/dbraw/zinc/71/29/68/382712968.db2.gz RWJGIZSYIDRKQR-UKRRQHHQSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192870088 382713191 /nfs/dbraw/zinc/71/31/91/382713191.db2.gz QMCYEPZORVXPFR-LSDHHAIUSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192890239 382713421 /nfs/dbraw/zinc/71/34/21/382713421.db2.gz UARXXYFQEJXVLF-WFASDCNBSA-N 1 0 278.352 2.723 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193333699 382718845 /nfs/dbraw/zinc/71/88/45/382718845.db2.gz WZZHGXDOUZOYKS-IINYFYTJSA-N 1 0 264.325 2.597 20 5 CFBDRO CC(C)OC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000337253889 382786706 /nfs/dbraw/zinc/78/67/06/382786706.db2.gz LYDNKXFGDACNCL-LBPRGKRZSA-N 1 0 266.341 2.540 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000194620715 382750312 /nfs/dbraw/zinc/75/03/12/382750312.db2.gz BELFXSKTJIETQF-ZYHUDNBSSA-N 1 0 294.351 2.977 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000577115960 382848485 /nfs/dbraw/zinc/84/84/85/382848485.db2.gz ULWKLQYDEQRYSM-XHDPSFHLSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000220627029 382796812 /nfs/dbraw/zinc/79/68/12/382796812.db2.gz CTAXMTXWWVWICE-BXKDBHETSA-N 1 0 252.339 2.578 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)COC(C)C)cc1[N+](=O)[O-] ZINC000337332034 382803652 /nfs/dbraw/zinc/80/36/52/382803652.db2.gz HXDBKQSOEZVRPR-LLVKDONJSA-N 1 0 282.340 2.507 20 5 CFBDRO Cc1cccc(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000227524458 382837680 /nfs/dbraw/zinc/83/76/80/382837680.db2.gz XDFZJAQWIGQWEX-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(NCC[NH+]2CCCCC2)c(F)c1 ZINC000227888284 382841923 /nfs/dbraw/zinc/84/19/23/382841923.db2.gz DTFLHNNWOINLNN-UHFFFAOYSA-N 1 0 285.294 2.771 20 5 CFBDRO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000227889652 382842028 /nfs/dbraw/zinc/84/20/28/382842028.db2.gz GQHBOBPOXZUAEB-QMMMGPOBSA-N 1 0 285.294 2.768 20 5 CFBDRO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000441343660 382909108 /nfs/dbraw/zinc/90/91/08/382909108.db2.gz WJXFGGDKQKWRIY-DGCLKSJQSA-N 1 0 294.351 2.603 20 5 CFBDRO CC[C@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230221972 382857800 /nfs/dbraw/zinc/85/78/00/382857800.db2.gz VTVKSHVEZLSCDL-CYBMUJFWSA-N 1 0 286.759 2.889 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CC1CCCC1 ZINC000337805991 382867235 /nfs/dbraw/zinc/86/72/35/382867235.db2.gz KLAJCYXXFTXWQG-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO C[N@H+](CCCCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000231730016 382867230 /nfs/dbraw/zinc/86/72/30/382867230.db2.gz GLRBXRUNCQIJMO-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO CC[C@]1(O)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224403 382972561 /nfs/dbraw/zinc/97/25/61/382972561.db2.gz MLVAWHUOWABFCK-FZMZJTMJSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772555 382979775 /nfs/dbraw/zinc/97/97/75/382979775.db2.gz FZCFHMIGMHPTRC-OLZOCXBDSA-N 1 0 290.363 2.768 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754378 382980234 /nfs/dbraw/zinc/98/02/34/382980234.db2.gz CEAXKFPZDSAUJQ-TXEJJXNPSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447817075 383011406 /nfs/dbraw/zinc/01/14/06/383011406.db2.gz OGZISLOWAUFEJC-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO CCOc1cccc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000338790224 383053366 /nfs/dbraw/zinc/05/33/66/383053366.db2.gz XMBVIGVFTBELRF-VXGBXAGGSA-N 1 0 293.367 2.522 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000448355216 383056151 /nfs/dbraw/zinc/05/61/51/383056151.db2.gz MXJJYAFLONVDLS-OAHLLOKOSA-N 1 0 292.379 2.921 20 5 CFBDRO CC[C@@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246252744 383069708 /nfs/dbraw/zinc/06/97/08/383069708.db2.gz PNDRVALWYDRUFF-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423378142 383072334 /nfs/dbraw/zinc/07/23/34/383072334.db2.gz ZGHFEHMEHZUSOW-SCDSUCTJSA-N 1 0 277.368 2.552 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423378139 383072345 /nfs/dbraw/zinc/07/23/45/383072345.db2.gz ZGHFEHMEHZUSOW-JKOKRWQUSA-N 1 0 277.368 2.552 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423377855 383072728 /nfs/dbraw/zinc/07/27/28/383072728.db2.gz KOHHDFPVPYNIRL-ABAIWWIYSA-N 1 0 291.395 2.905 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423386397 383077355 /nfs/dbraw/zinc/07/73/55/383077355.db2.gz RUJKGSAAYLWTFV-VXGBXAGGSA-N 1 0 265.357 2.552 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCO1 ZINC000449096608 383173345 /nfs/dbraw/zinc/17/33/45/383173345.db2.gz JBAJKGBFIQPPCE-GXTWGEPZSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCO1 ZINC000449096611 383174050 /nfs/dbraw/zinc/17/40/50/383174050.db2.gz JBAJKGBFIQPPCE-TZMCWYRMSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000339457853 383204155 /nfs/dbraw/zinc/20/41/55/383204155.db2.gz IACRCROSKCBRIU-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000339473771 383210315 /nfs/dbraw/zinc/21/03/15/383210315.db2.gz ZYWMAWIURKSWEF-INIZCTEOSA-N 1 0 292.379 2.934 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1 ZINC000449064541 383158013 /nfs/dbraw/zinc/15/80/13/383158013.db2.gz QLOMGKSQELWGCV-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1C ZINC000339617338 383263884 /nfs/dbraw/zinc/26/38/84/383263884.db2.gz RZCOJLJPGGEACO-PHIMTYICSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339617966 383264066 /nfs/dbraw/zinc/26/40/66/383264066.db2.gz GBWRCNXWTSJVQO-RWMBFGLXSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000449417008 383277533 /nfs/dbraw/zinc/27/75/33/383277533.db2.gz WHPKQUXRTVURDH-SMDDNHRTSA-N 1 0 278.352 2.683 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](C)F ZINC000339495155 383216455 /nfs/dbraw/zinc/21/64/55/383216455.db2.gz XRELBRIEDFIYQV-SNVBAGLBSA-N 1 0 270.304 2.831 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC[C@@H]1C ZINC000449322427 383216683 /nfs/dbraw/zinc/21/66/83/383216683.db2.gz PFVMOHYVPQMWEZ-DMDPSCGWSA-N 1 0 280.393 2.867 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449491950 383330718 /nfs/dbraw/zinc/33/07/18/383330718.db2.gz ICPPZQMVMTTZMZ-SWLSCSKDSA-N 1 0 278.352 2.842 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(C)(C)CO ZINC000449430292 383290207 /nfs/dbraw/zinc/29/02/07/383290207.db2.gz VUXOSIHQHKINNB-MDWZMJQESA-N 1 0 292.379 2.948 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000249453186 383346887 /nfs/dbraw/zinc/34/68/87/383346887.db2.gz CUULCRBGXPFIST-GUTXKFCHSA-N 1 0 276.336 2.560 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449479689 383320506 /nfs/dbraw/zinc/32/05/06/383320506.db2.gz VVRQIRZCQFFNOJ-CQSZACIVSA-N 1 0 266.341 2.808 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000251488574 383388962 /nfs/dbraw/zinc/38/89/62/383388962.db2.gz CDGRZZRXQWLNKG-OLZOCXBDSA-N 1 0 277.368 2.587 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000524619873 383376863 /nfs/dbraw/zinc/37/68/63/383376863.db2.gz MIKORHVDUVQGMA-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO CO[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000425420919 383378042 /nfs/dbraw/zinc/37/80/42/383378042.db2.gz NDWBGMJVJBQCIL-INIZCTEOSA-N 1 0 290.363 2.984 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250791813 383380063 /nfs/dbraw/zinc/38/00/63/383380063.db2.gz SAEPOZRSVAQEKG-MNOVXSKESA-N 1 0 279.315 2.773 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000340202701 383381099 /nfs/dbraw/zinc/38/10/99/383381099.db2.gz PCLHQKRYVVRXCO-ABAIWWIYSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOC(F)F ZINC000568663268 383425313 /nfs/dbraw/zinc/42/53/13/383425313.db2.gz XOZDPAWVQXJPRT-LLVKDONJSA-N 1 0 286.278 2.801 20 5 CFBDRO COC[C@H](C)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000527105021 383452989 /nfs/dbraw/zinc/45/29/89/383452989.db2.gz XQLUVLKMUBLDPO-SNVBAGLBSA-N 1 0 286.759 2.663 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569150902 383472241 /nfs/dbraw/zinc/47/22/41/383472241.db2.gz YJNDJJWIEPDONI-MNOVXSKESA-N 1 0 291.351 2.632 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567698 383546113 /nfs/dbraw/zinc/54/61/13/383546113.db2.gz YALJLKJSVUSUHJ-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000255719510 383486258 /nfs/dbraw/zinc/48/62/58/383486258.db2.gz GBGJHCOOEOWVIG-XQRVVYSFSA-N 1 0 290.363 2.966 20 5 CFBDRO CC(C)[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488098688 383495383 /nfs/dbraw/zinc/49/53/83/383495383.db2.gz WKFZQTIYJISRLY-BBRMVZONSA-N 1 0 291.395 2.928 20 5 CFBDRO Cc1c(CN(CC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000261557346 383511840 /nfs/dbraw/zinc/51/18/40/383511840.db2.gz XFPCDGUEGQMYCJ-UHFFFAOYSA-N 1 0 299.374 2.864 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3=CCCCC3)CC2)n1 ZINC000450883573 383534581 /nfs/dbraw/zinc/53/45/81/383534581.db2.gz PYSQLUXPZYOLLN-UHFFFAOYSA-N 1 0 290.367 2.929 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429467066 383535536 /nfs/dbraw/zinc/53/55/36/383535536.db2.gz ZOADSZZWQYIVLN-GXSJLCMTSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@@]1(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]C1 ZINC000262005503 383593565 /nfs/dbraw/zinc/59/35/65/383593565.db2.gz LUQJJMGCKZBBPK-MRXNPFEDSA-N 1 0 289.379 2.559 20 5 CFBDRO CCC(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931644 383555876 /nfs/dbraw/zinc/55/58/76/383555876.db2.gz AYMDJLNZABGWQI-UHFFFAOYSA-N 1 0 278.352 2.828 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451540287 383639086 /nfs/dbraw/zinc/63/90/86/383639086.db2.gz GLLZJGOFQSELNP-NHYWBVRUSA-N 1 0 278.352 2.760 20 5 CFBDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548459 383642894 /nfs/dbraw/zinc/64/28/94/383642894.db2.gz NKNNUBLAWCWLEV-GOEBONIOSA-N 1 0 292.379 2.935 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264584611 383758600 /nfs/dbraw/zinc/75/86/00/383758600.db2.gz KJRKGLMVNKXCHE-MRXNPFEDSA-N 1 0 289.379 2.655 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000571133072 383666363 /nfs/dbraw/zinc/66/63/63/383666363.db2.gz IBBFFAGDRIGKGX-VHRBIJSZSA-N 1 0 264.325 2.731 20 5 CFBDRO CC[C@@H]([NH2+]CCN1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280976582 195055002 /nfs/dbraw/zinc/05/50/02/195055002.db2.gz LSBRVVPJSQCDEA-MRXNPFEDSA-N 1 0 289.379 2.897 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000573171122 383882423 /nfs/dbraw/zinc/88/24/23/383882423.db2.gz KDCZGHPDWZHFJC-UXIGCNINSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1nc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000531599711 383893974 /nfs/dbraw/zinc/89/39/74/383893974.db2.gz DEMHWJYQKJBWKF-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000265749110 383990190 /nfs/dbraw/zinc/99/01/90/383990190.db2.gz HFRVQDXIKKEQOC-AWEZNQCLSA-N 1 0 292.360 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000438173001 383963235 /nfs/dbraw/zinc/96/32/35/383963235.db2.gz CLTBSVMZPBNLLC-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000532482089 384035638 /nfs/dbraw/zinc/03/56/38/384035638.db2.gz MDSKXKCHJIGBFD-STQMWFEESA-N 1 0 289.379 2.791 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000412021785 533029192 /nfs/dbraw/zinc/02/91/92/533029192.db2.gz NMYBRUZQBUVDJT-JTQLQIEISA-N 1 0 282.315 2.781 20 5 CFBDRO COc1cc(NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000111047770 533028211 /nfs/dbraw/zinc/02/82/11/533028211.db2.gz FJDYAXRECSQGHS-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO C[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000574872786 384156564 /nfs/dbraw/zinc/15/65/64/384156564.db2.gz ATYHZJSFOQDIHE-JKSUJKDBSA-N 1 0 290.363 2.988 20 5 CFBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000267040451 384285252 /nfs/dbraw/zinc/28/52/52/384285252.db2.gz COMDOZXQODOROA-ZDUSSCGKSA-N 1 0 299.371 2.583 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000267075215 384293224 /nfs/dbraw/zinc/29/32/24/384293224.db2.gz WURBBBCBICGTIF-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267084429 384295482 /nfs/dbraw/zinc/29/54/82/384295482.db2.gz YZGODNVSPSIWNE-AWEZNQCLSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)[N@H+](CCC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000267461092 384396417 /nfs/dbraw/zinc/39/64/17/384396417.db2.gz SXPSLAXEUQIPDT-UHFFFAOYSA-N 1 0 280.368 2.966 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000277778881 384403159 /nfs/dbraw/zinc/40/31/59/384403159.db2.gz NQOGSYDDKJDDON-OAHLLOKOSA-N 1 0 278.352 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194089751 285115737 /nfs/dbraw/zinc/11/57/37/285115737.db2.gz ATSHLDZDNHYKDN-RBSFLKMASA-N 1 0 288.347 2.642 20 5 CFBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289383848 197322710 /nfs/dbraw/zinc/32/27/10/197322710.db2.gz CXQDHFAMAIIRTO-NSHDSACASA-N 1 0 290.319 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000370483843 285117427 /nfs/dbraw/zinc/11/74/27/285117427.db2.gz JAGSRJHOLSGYOZ-GFCCVEGCSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301095646 285124247 /nfs/dbraw/zinc/12/42/47/285124247.db2.gz MHVHQCQNSQONCC-ZDUSSCGKSA-N 1 0 293.342 2.799 20 5 CFBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCC(CO)CC1 ZINC000268287077 384591871 /nfs/dbraw/zinc/59/18/71/384591871.db2.gz AQZKHFGCKABSMC-UHFFFAOYSA-N 1 0 284.381 2.639 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000279444285 384640273 /nfs/dbraw/zinc/64/02/73/384640273.db2.gz YWGPRKWMTVYCEC-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCC2)c(Cl)c1 ZINC000279675374 384718420 /nfs/dbraw/zinc/71/84/20/384718420.db2.gz IFWIGNAKTJOXIL-LBPRGKRZSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843029 384879994 /nfs/dbraw/zinc/87/99/94/384879994.db2.gz RUHIHWLOOCOUFB-ZYHUDNBSSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@@H](CO)[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000280271570 384955149 /nfs/dbraw/zinc/95/51/49/384955149.db2.gz CTSVZMKQDDDJRG-JTQLQIEISA-N 1 0 284.381 2.639 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCOC1)CCC2 ZINC000192708374 285143950 /nfs/dbraw/zinc/14/39/50/285143950.db2.gz PZNCGRBJLBQHDO-LRDDRELGSA-N 1 0 290.363 2.988 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000280153362 384906154 /nfs/dbraw/zinc/90/61/54/384906154.db2.gz CMKGJLNHIYCJLU-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000270187947 385008327 /nfs/dbraw/zinc/00/83/27/385008327.db2.gz WBDHTSOZIKHVEV-YGRLFVJLSA-N 1 0 298.770 2.841 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000280707562 385122704 /nfs/dbraw/zinc/12/27/04/385122704.db2.gz WWPUDXAYGAGRFP-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000280707560 385122802 /nfs/dbraw/zinc/12/28/02/385122802.db2.gz WWPUDXAYGAGRFP-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000270679148 385188060 /nfs/dbraw/zinc/18/80/60/385188060.db2.gz YLPCKXNVSGIFHY-UHFFFAOYSA-N 1 0 291.395 2.903 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](C2CCCC2)CC1 ZINC000341742207 285155950 /nfs/dbraw/zinc/15/59/50/285155950.db2.gz HTFPIPAPFHLCDI-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[N@@H+](C2CC2)CC1 ZINC000368389548 285154906 /nfs/dbraw/zinc/15/49/06/285154906.db2.gz XKAKQODSRFQVLF-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270761824 385215268 /nfs/dbraw/zinc/21/52/68/385215268.db2.gz XYVOQIOCTYIVSM-NSHDSACASA-N 1 0 266.341 2.749 20 5 CFBDRO CC[N@H+](CC(C)(C)O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270761821 385216518 /nfs/dbraw/zinc/21/65/18/385216518.db2.gz XYVOQIOCTYIVSM-LLVKDONJSA-N 1 0 266.341 2.749 20 5 CFBDRO COCC[C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000282184013 385239443 /nfs/dbraw/zinc/23/94/43/385239443.db2.gz MZAQMEFRKUTVNT-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270865349 385252723 /nfs/dbraw/zinc/25/27/23/385252723.db2.gz IVQHBFKWPSIRBN-UHFFFAOYSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000271004048 385299079 /nfs/dbraw/zinc/29/90/79/385299079.db2.gz GQDQBLRARJSJID-LALPHHSUSA-N 1 0 278.352 2.606 20 5 CFBDRO CCC(CC)(CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000282396333 385300719 /nfs/dbraw/zinc/30/07/19/385300719.db2.gz HIGNHMPIKYCAOI-UHFFFAOYSA-N 1 0 280.368 2.668 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CO ZINC000271185893 385367674 /nfs/dbraw/zinc/36/76/74/385367674.db2.gz WPKGTHOVWWXUDZ-RYUDHWBXSA-N 1 0 298.408 2.684 20 5 CFBDRO Cc1ccc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271982702 385418898 /nfs/dbraw/zinc/41/88/98/385418898.db2.gz JWVXZEUHEVFAIB-HNNXBMFYSA-N 1 0 292.379 2.790 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000301992509 285170362 /nfs/dbraw/zinc/17/03/62/285170362.db2.gz NWAKTDFYDRSMIH-NXEZZACHSA-N 1 0 267.354 2.695 20 5 CFBDRO COCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000283883573 385510631 /nfs/dbraw/zinc/51/06/31/385510631.db2.gz HEGUNBMXLWJMOE-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057650 385529925 /nfs/dbraw/zinc/52/99/25/385529925.db2.gz KPWWPESISCPIQE-NWDGAFQWSA-N 1 0 295.383 2.626 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272365742 385519775 /nfs/dbraw/zinc/51/97/75/385519775.db2.gz SWRYJTGPQACFLO-HIFRSBDPSA-N 1 0 292.379 2.824 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000288819471 197172510 /nfs/dbraw/zinc/17/25/10/197172510.db2.gz MZVCJQOVNGPRHH-HNNXBMFYSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@H](CCNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000286981276 385755290 /nfs/dbraw/zinc/75/52/90/385755290.db2.gz SXFRIAUNLPPBLZ-GFCCVEGCSA-N 1 0 292.383 2.853 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000274285485 385756286 /nfs/dbraw/zinc/75/62/86/385756286.db2.gz ZGRSLXBMWLNGLL-ZDUSSCGKSA-N 1 0 284.331 2.621 20 5 CFBDRO C[NH+](C)CC1(CNc2ccc(N)cc2[N+](=O)[O-])CCCC1 ZINC000287072720 385775100 /nfs/dbraw/zinc/77/51/00/385775100.db2.gz XWFURGNWPBGVHE-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(=O)[C@H](C)C1 ZINC000275232507 385961774 /nfs/dbraw/zinc/96/17/74/385961774.db2.gz NEPXHMGQDKURSY-GHMZBOCLSA-N 1 0 262.309 2.567 20 5 CFBDRO C[NH+](C)[C@]1(CNc2c(F)cccc2[N+](=O)[O-])CCSC1 ZINC000288489887 197093029 /nfs/dbraw/zinc/09/30/29/197093029.db2.gz RNAJPYLTSAWWJM-ZDUSSCGKSA-N 1 0 299.371 2.583 20 5 CFBDRO CCOc1cc(C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000276864438 386064426 /nfs/dbraw/zinc/06/44/26/386064426.db2.gz GUTAAYCVOHOLRC-UHFFFAOYSA-N 1 0 264.325 2.979 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414063194 533222235 /nfs/dbraw/zinc/22/22/35/533222235.db2.gz CNAMNJOTBZQOEA-OPQQBVKSSA-N 1 0 264.325 2.738 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045657207 285337901 /nfs/dbraw/zinc/33/79/01/285337901.db2.gz CHYWIGIRCZKKML-GHMZBOCLSA-N 1 0 252.314 2.528 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094941715 184897994 /nfs/dbraw/zinc/89/79/94/184897994.db2.gz HYOZCTIRYUGJEI-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282622811 195663161 /nfs/dbraw/zinc/66/31/61/195663161.db2.gz AIDPHLQFPOOMEI-UHFFFAOYSA-N 1 0 295.358 2.696 20 5 CFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(C)C ZINC000425994886 533471444 /nfs/dbraw/zinc/47/14/44/533471444.db2.gz ITQCZFNLQIJIFH-MWLCHTKSSA-N 1 0 288.351 2.995 20 5 CFBDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341877572 130104152 /nfs/dbraw/zinc/10/41/52/130104152.db2.gz PFDFNTLUQLZKQW-OBJOEFQTSA-N 1 0 277.368 2.586 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191643614 130270226 /nfs/dbraw/zinc/27/02/26/130270226.db2.gz FMXGAEYLJRAIAQ-SRVKXCTJSA-N 1 0 266.341 2.977 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000355338726 130281805 /nfs/dbraw/zinc/28/18/05/130281805.db2.gz ZHNLXCSXXWEIOM-NSHDSACASA-N 1 0 283.347 2.554 20 5 CFBDRO C[C@H]1CCSCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191812302 130308128 /nfs/dbraw/zinc/30/81/28/130308128.db2.gz BDDWBIUCZQDMJH-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192169919 130386010 /nfs/dbraw/zinc/38/60/10/130386010.db2.gz XQJWXHLAFYTGIR-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248367199 131114464 /nfs/dbraw/zinc/11/44/64/131114464.db2.gz TUKLRUZXSIWZEA-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262096981 131190691 /nfs/dbraw/zinc/19/06/91/131190691.db2.gz BXLMAWQTBJEPCD-IAQYHMDHSA-N 1 0 293.367 2.598 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C1 ZINC000263708972 131313277 /nfs/dbraw/zinc/31/32/77/131313277.db2.gz MSHYLZWVSFPLCP-NSHDSACASA-N 1 0 291.351 2.574 20 5 CFBDRO Cc1ccnc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000265291912 131573313 /nfs/dbraw/zinc/57/33/13/131573313.db2.gz XZYZKVMLJNSNEW-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177913325 413054033 /nfs/dbraw/zinc/05/40/33/413054033.db2.gz FXNPNDRCBFOKOO-WDEREUQCSA-N 1 0 292.335 2.692 20 5 CFBDRO COc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000267262757 131844809 /nfs/dbraw/zinc/84/48/09/131844809.db2.gz KUPMFRGVCOSIQO-YPMHNXCESA-N 1 0 293.367 2.888 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268895295 132084280 /nfs/dbraw/zinc/08/42/80/132084280.db2.gz ZSXQBQUXSFVKAH-DOMZBBRYSA-N 1 0 292.379 2.931 20 5 CFBDRO CCC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000181053517 393488822 /nfs/dbraw/zinc/48/88/22/393488822.db2.gz RFOJWVPVJKMYFW-ILXRZTDVSA-N 1 0 278.352 2.939 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000378269786 393544258 /nfs/dbraw/zinc/54/42/58/393544258.db2.gz ISVKDKSVYGJIIG-HNNXBMFYSA-N 1 0 298.346 2.897 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC2(CCC[N@H+]2C)CC1 ZINC000375345009 393507573 /nfs/dbraw/zinc/50/75/73/393507573.db2.gz KAIIJWWRLVOUNY-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045628 393560254 /nfs/dbraw/zinc/56/02/54/393560254.db2.gz LPABCJZBNQPZGV-MNOVXSKESA-N 1 0 292.335 2.692 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192739669 393631518 /nfs/dbraw/zinc/63/15/18/393631518.db2.gz IAMYWCACZOVLIK-IAQYHMDHSA-N 1 0 278.352 2.844 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000411682636 393738141 /nfs/dbraw/zinc/73/81/41/393738141.db2.gz GDXFGQZHTPKZJU-CYBMUJFWSA-N 1 0 291.351 2.654 20 5 CFBDRO CC1CC[NH+](CCCCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195509105 393743071 /nfs/dbraw/zinc/74/30/71/393743071.db2.gz KKUKEYXOTQMEGW-UHFFFAOYSA-N 1 0 298.412 2.975 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000084726446 393750008 /nfs/dbraw/zinc/75/00/08/393750008.db2.gz FYKBLZCXLDYSTE-TZMCWYRMSA-N 1 0 275.352 2.942 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411214571 393686360 /nfs/dbraw/zinc/68/63/60/393686360.db2.gz GAKPLSRPJWFMKN-ZDUSSCGKSA-N 1 0 291.351 2.798 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080306397 393725053 /nfs/dbraw/zinc/72/50/53/393725053.db2.gz IXHJNZVFWXHPCP-SNVBAGLBSA-N 1 0 293.348 2.781 20 5 CFBDRO C[N@H+](CCCCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000227052946 393771748 /nfs/dbraw/zinc/77/17/48/393771748.db2.gz MDRYQDIQLJJSHN-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO COC(=O)CC1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000424265826 393807303 /nfs/dbraw/zinc/80/73/03/393807303.db2.gz KHXFTKBYUNIIOG-ZBOXLXRLSA-N 1 0 292.335 2.587 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414951788 393808591 /nfs/dbraw/zinc/80/85/91/393808591.db2.gz QDLXUDWBWXOJCF-JSGCOSHPSA-N 1 0 291.395 2.948 20 5 CFBDRO CCC[C@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245610400 393818540 /nfs/dbraw/zinc/81/85/40/393818540.db2.gz BACGSCCETAHBIW-QWHCGFSZSA-N 1 0 292.383 2.912 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109543932 393879837 /nfs/dbraw/zinc/87/98/37/393879837.db2.gz CLNWHBYDOGIQLZ-OCCSQVGLSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000459784298 393888220 /nfs/dbraw/zinc/88/82/20/393888220.db2.gz XBQJHEISBKBOTP-QKCSRTOESA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000104687801 393861703 /nfs/dbraw/zinc/86/17/03/393861703.db2.gz BCLYYILFDFVDPU-JTQLQIEISA-N 1 0 280.324 2.692 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)C1CC1 ZINC000430211234 393968972 /nfs/dbraw/zinc/96/89/72/393968972.db2.gz XDVVTFWGPCYWDA-UHFFFAOYSA-N 1 0 264.325 2.976 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000430225891 393970467 /nfs/dbraw/zinc/97/04/67/393970467.db2.gz ZIOUXRQAMKXUGG-QWRGUYRKSA-N 1 0 264.325 2.976 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\c2ccncc2)cc1 ZINC000486932264 393972607 /nfs/dbraw/zinc/97/26/07/393972607.db2.gz GSOXMWPSLJHEKE-UPHRSURJSA-N 1 0 269.304 2.793 20 5 CFBDRO CC(C)OCCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000265853681 393977408 /nfs/dbraw/zinc/97/74/08/393977408.db2.gz IQTZCDKASDNHHK-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430285319 393979572 /nfs/dbraw/zinc/97/95/72/393979572.db2.gz SGTBFJFEDQJZSR-LBPRGKRZSA-N 1 0 276.336 2.872 20 5 CFBDRO CC(C)[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269666790 394005160 /nfs/dbraw/zinc/00/51/60/394005160.db2.gz WAEBOZLJLAJGSB-UHFFFAOYSA-N 1 0 299.321 2.794 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129547963 394090654 /nfs/dbraw/zinc/09/06/54/394090654.db2.gz UHMQXNHKEWPFNJ-UMVBOHGHSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000439094999 394098481 /nfs/dbraw/zinc/09/84/81/394098481.db2.gz JWLUIBRRBRUZSU-CQSZACIVSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000286012936 394179495 /nfs/dbraw/zinc/17/94/95/394179495.db2.gz FDNGOYJIIMUGCQ-VXGBXAGGSA-N 1 0 292.383 2.709 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131060260 394124823 /nfs/dbraw/zinc/12/48/23/394124823.db2.gz KSXDAPLLBMAEAV-AAEUAGOBSA-N 1 0 266.341 2.715 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132113614 394147396 /nfs/dbraw/zinc/14/73/96/394147396.db2.gz CANPSVPJJIBNLU-CYBMUJFWSA-N 1 0 278.352 2.939 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421040992 394167857 /nfs/dbraw/zinc/16/78/57/394167857.db2.gz OEFCDAKCAYQCNG-ZDUSSCGKSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286505453 394197424 /nfs/dbraw/zinc/19/74/24/394197424.db2.gz SKBJCONXEUABRE-CZUORRHYSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000421368184 394204165 /nfs/dbraw/zinc/20/41/65/394204165.db2.gz BJSBBUQJMWTUJG-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO CCN(CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449111775 394216447 /nfs/dbraw/zinc/21/64/47/394216447.db2.gz NXBMBWBMAHUOJL-ZDUSSCGKSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@H](Cc1ccoc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000449131140 394223667 /nfs/dbraw/zinc/22/36/67/394223667.db2.gz KHYRMSIUOYPAHH-LBPRGKRZSA-N 1 0 274.320 2.951 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[C@H]1O ZINC000449159975 394235097 /nfs/dbraw/zinc/23/50/97/394235097.db2.gz KCMKDJXSOGGGCY-XNRPHZJLSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000136839137 394236204 /nfs/dbraw/zinc/23/62/04/394236204.db2.gz BVIQPIQDFFKLTR-ZDSVCRJJSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162974 394236268 /nfs/dbraw/zinc/23/62/68/394236268.db2.gz KXNJMKCIXLIFHC-DGCLKSJQSA-N 1 0 266.341 2.540 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449172852 394240987 /nfs/dbraw/zinc/24/09/87/394240987.db2.gz MQPZBCYWPHNPNP-BYCMXARLSA-N 1 0 292.379 2.929 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CCOCC1 ZINC000449175151 394241901 /nfs/dbraw/zinc/24/19/01/394241901.db2.gz QNJFYTFHABWLKC-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449185962 394245817 /nfs/dbraw/zinc/24/58/17/394245817.db2.gz BMPDYSYQDFYBCU-ZIAGYGMSSA-N 1 0 294.399 2.986 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC000286434931 394196785 /nfs/dbraw/zinc/19/67/85/394196785.db2.gz SCTKRASGMVEUGD-WCQYABFASA-N 1 0 293.342 2.797 20 5 CFBDRO C[C@H]([NH3+])[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423472256 394283546 /nfs/dbraw/zinc/28/35/46/394283546.db2.gz QBBQURNERWQUEU-BHDSKKPTSA-N 1 0 277.368 2.643 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158174645 394354997 /nfs/dbraw/zinc/35/49/97/394354997.db2.gz DKERQGRKQQGHCD-KGLIPLIRSA-N 1 0 291.395 2.896 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C1CCC1)CCC2 ZINC000453378798 394392767 /nfs/dbraw/zinc/39/27/67/394392767.db2.gz JQLJADUVRMUDRD-JKSUJKDBSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc([C@@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176210327 394381255 /nfs/dbraw/zinc/38/12/55/394381255.db2.gz LUTGXIKSPXMTLV-CYBMUJFWSA-N 1 0 288.351 2.793 20 5 CFBDRO CCn1ccnc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000453330163 394386390 /nfs/dbraw/zinc/38/63/90/394386390.db2.gz UUZVAGVZOOKAFE-LBPRGKRZSA-N 1 0 288.351 2.532 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000178469102 394388438 /nfs/dbraw/zinc/38/84/38/394388438.db2.gz IFVWVUPAUGOPPH-GFCCVEGCSA-N 1 0 280.368 2.931 20 5 CFBDRO COC(C)(C)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000535851018 394548761 /nfs/dbraw/zinc/54/87/61/394548761.db2.gz ABANWJVJWLPWID-UHFFFAOYSA-N 1 0 266.341 2.760 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCOC(C)(C)C ZINC000544606806 394766566 /nfs/dbraw/zinc/76/65/66/394766566.db2.gz VZLAQZJLCGJLAZ-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000556083105 394989240 /nfs/dbraw/zinc/98/92/40/394989240.db2.gz IPAMSGQZACYLRB-GFCCVEGCSA-N 1 0 277.368 2.682 20 5 CFBDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000558508223 395062813 /nfs/dbraw/zinc/06/28/13/395062813.db2.gz RZZDFZYVJJONAM-STQMWFEESA-N 1 0 296.367 2.605 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000558980083 395080364 /nfs/dbraw/zinc/08/03/64/395080364.db2.gz CIRPAAFXBDZACB-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000575600594 395091265 /nfs/dbraw/zinc/09/12/65/395091265.db2.gz XLVMVKBRWCYCTM-CQSZACIVSA-N 1 0 291.395 2.723 20 5 CFBDRO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903123 155132559 /nfs/dbraw/zinc/13/25/59/155132559.db2.gz CHXOFKAQCSIPHQ-OLZOCXBDSA-N 1 0 292.383 2.911 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000356389433 155251015 /nfs/dbraw/zinc/25/10/15/155251015.db2.gz CISSNIOGTFQCKK-LBPRGKRZSA-N 1 0 270.304 2.639 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000044690656 286162583 /nfs/dbraw/zinc/16/25/83/286162583.db2.gz ASSLYWPQDMWZOA-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@H]([NH2+]Cc1c[nH]c2nccnc12)c1ccccc1[N+](=O)[O-] ZINC000356442035 155267374 /nfs/dbraw/zinc/26/73/74/155267374.db2.gz SZXHRJGKYNDSKQ-JTQLQIEISA-N 1 0 297.318 2.669 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000348065357 154303555 /nfs/dbraw/zinc/30/35/55/154303555.db2.gz QJPQDPNTPSOLEH-OLZOCXBDSA-N 1 0 276.336 2.882 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348153781 154342404 /nfs/dbraw/zinc/34/24/04/154342404.db2.gz UKERTLMPHQZTCU-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000348166158 154346389 /nfs/dbraw/zinc/34/63/89/154346389.db2.gz FUMRVZFHERPPDG-OLZOCXBDSA-N 1 0 292.383 2.607 20 5 CFBDRO Cc1c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000348183429 154352131 /nfs/dbraw/zinc/35/21/31/154352131.db2.gz ZAPWQRYGKCEDRT-HNNXBMFYSA-N 1 0 289.379 2.572 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348258619 154384786 /nfs/dbraw/zinc/38/47/86/154384786.db2.gz XRLUNUQGLQCDIH-BBRMVZONSA-N 1 0 292.379 2.826 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348268274 154388386 /nfs/dbraw/zinc/38/83/86/154388386.db2.gz DNVKUXCCOZYXJX-WHGOUJPWSA-N 1 0 256.252 2.899 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354354981 154685297 /nfs/dbraw/zinc/68/52/97/154685297.db2.gz SHIBQLXPVDFYIN-STQMWFEESA-N 1 0 277.368 2.904 20 5 CFBDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000355731499 155069373 /nfs/dbraw/zinc/06/93/73/155069373.db2.gz OHOKNVXXDWWISE-LLVKDONJSA-N 1 0 286.397 2.933 20 5 CFBDRO COC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000355740422 155071411 /nfs/dbraw/zinc/07/14/11/155071411.db2.gz REISFNXCCUPXLP-DAXSKMNVSA-N 1 0 276.336 2.767 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367065817 156275245 /nfs/dbraw/zinc/27/52/45/156275245.db2.gz HDUDFPOLYFDQBH-HNNXBMFYSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1c(C[NH+]2CCC3(CCO3)CC2)cccc1[N+](=O)[O-] ZINC000367093735 156280515 /nfs/dbraw/zinc/28/05/15/156280515.db2.gz LZWYLXGPZVICSS-UHFFFAOYSA-N 1 0 276.336 2.658 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC000375325505 157228222 /nfs/dbraw/zinc/22/82/22/157228222.db2.gz DZZHFRPPKOWDCT-OAHLLOKOSA-N 1 0 276.336 2.658 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(CO)CC2)c(Cl)c1 ZINC000344331152 162012524 /nfs/dbraw/zinc/01/25/24/162012524.db2.gz APNHFEQFHRJNCI-UHFFFAOYSA-N 1 0 298.770 2.889 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCOC1 ZINC000344385782 162029302 /nfs/dbraw/zinc/02/93/02/162029302.db2.gz BLZFRYZYESUYAQ-OAHLLOKOSA-N 1 0 294.351 2.510 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344379568 162030651 /nfs/dbraw/zinc/03/06/51/162030651.db2.gz YLIZWAIHKLDHLQ-RZRUPYEKSA-N 1 0 276.336 2.765 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000344423450 162040313 /nfs/dbraw/zinc/04/03/13/162040313.db2.gz RTVDMRSPQPMKGY-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344619203 162081846 /nfs/dbraw/zinc/08/18/46/162081846.db2.gz WACIIDGIAPCCBE-VEXXYJEVSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCOCC1 ZINC000344797503 162125228 /nfs/dbraw/zinc/12/52/28/162125228.db2.gz WROGNSZSFLFUDH-XFXZXTDPSA-N 1 0 276.336 2.767 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c[nH]nc1C ZINC000344840921 162132410 /nfs/dbraw/zinc/13/24/10/162132410.db2.gz GECDMFNBYRXQJZ-WDZFZDKYSA-N 1 0 286.335 2.819 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C(C)C ZINC000344882998 162139932 /nfs/dbraw/zinc/13/99/32/162139932.db2.gz RZTADDYXVZKUBM-OVHOFWQVSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCC(CO)CC1 ZINC000344905858 162144326 /nfs/dbraw/zinc/14/43/26/162144326.db2.gz XDGWGETXWXXSSY-HWKANZROSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[C@H](O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000345042105 162167250 /nfs/dbraw/zinc/16/72/50/162167250.db2.gz XXHPNFWDHBHIEZ-LMRWQKIVSA-N 1 0 278.352 2.749 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000345102376 162179800 /nfs/dbraw/zinc/17/98/00/162179800.db2.gz ZXAFSAMNVBMNEF-UHFFFAOYSA-N 1 0 260.293 2.862 20 5 CFBDRO C[NH+](C)Cc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000345504865 162261698 /nfs/dbraw/zinc/26/16/98/162261698.db2.gz DQKMUXAQNWTTMQ-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000346261266 162365116 /nfs/dbraw/zinc/36/51/16/162365116.db2.gz MJZPDWRBOCAEEC-LLVKDONJSA-N 1 0 294.351 2.977 20 5 CFBDRO CCOc1cccc(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000346388574 162401800 /nfs/dbraw/zinc/40/18/00/162401800.db2.gz MAIDTNXSNBSDSN-CYBMUJFWSA-N 1 0 293.367 2.746 20 5 CFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350240926 163068043 /nfs/dbraw/zinc/06/80/43/163068043.db2.gz CJVBGGCBMPHVRP-RISCZKNCSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350311260 163071533 /nfs/dbraw/zinc/07/15/33/163071533.db2.gz GYGWVUDUACBMDL-MNOVXSKESA-N 1 0 282.315 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000350390685 163075890 /nfs/dbraw/zinc/07/58/90/163075890.db2.gz KQWYBGOHTUXBPW-FZMZJTMJSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](C(C)C)C(C)C ZINC000352769487 163229969 /nfs/dbraw/zinc/22/99/69/163229969.db2.gz MXCMPFMCPYJLQC-UHFFFAOYSA-N 1 0 293.367 2.961 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000352823806 163243974 /nfs/dbraw/zinc/24/39/74/163243974.db2.gz LLOKJBRSEPVWRW-HNNXBMFYSA-N 1 0 294.351 2.652 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000352867021 163258403 /nfs/dbraw/zinc/25/84/03/163258403.db2.gz ILNOCLAJBGTBPM-UHFFFAOYSA-N 1 0 291.395 2.903 20 5 CFBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352883893 163259413 /nfs/dbraw/zinc/25/94/13/163259413.db2.gz PHVWZIUNQVLMSJ-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CSC[C@H]1C ZINC000353023713 163290792 /nfs/dbraw/zinc/29/07/92/163290792.db2.gz XQQHRBKKWPLJLV-MFKMUULPSA-N 1 0 266.366 2.744 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)C1CC1 ZINC000353062510 163300719 /nfs/dbraw/zinc/30/07/19/163300719.db2.gz QRFPELRBPUIRCC-CUXKMMBLSA-N 1 0 290.363 2.606 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3cc[nH]c3n2)c1 ZINC000353223267 163320605 /nfs/dbraw/zinc/32/06/05/163320605.db2.gz SGXKEAJQXGKHMI-UHFFFAOYSA-N 1 0 282.303 2.761 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCSc1ncccc1[N+](=O)[O-] ZINC000284297216 196024238 /nfs/dbraw/zinc/02/42/38/196024238.db2.gz RLDYDDIRTDXFHU-LLVKDONJSA-N 1 0 281.381 2.956 20 5 CFBDRO [NH3+]CCCc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000011886749 170452526 /nfs/dbraw/zinc/45/25/26/170452526.db2.gz FVNRJQXWZFVHFW-UHFFFAOYSA-N 1 0 263.322 2.610 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000020186569 171050896 /nfs/dbraw/zinc/05/08/96/171050896.db2.gz LDDGIWBZQRKCTM-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO CC(C)[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000020200970 171064635 /nfs/dbraw/zinc/06/46/35/171064635.db2.gz POHFPGDPSNMYFI-MRXNPFEDSA-N 1 0 291.395 2.805 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000020506088 171228222 /nfs/dbraw/zinc/22/82/22/171228222.db2.gz NCLMUNUEBGBLIE-ZDUSSCGKSA-N 1 0 288.351 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000284753904 196124587 /nfs/dbraw/zinc/12/45/87/196124587.db2.gz LPVKBYODRSUPFP-HUUCEWRRSA-N 1 0 294.326 2.877 20 5 CFBDRO O=C(CC[NH+]1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000026155911 171473538 /nfs/dbraw/zinc/47/35/38/171473538.db2.gz WZNRYPPCVKVRQP-UHFFFAOYSA-N 1 0 291.351 2.799 20 5 CFBDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285020936 196179707 /nfs/dbraw/zinc/17/97/07/196179707.db2.gz HKVVDJTXTJYSPZ-BDAKNGLRSA-N 1 0 269.370 2.579 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000035368237 172159536 /nfs/dbraw/zinc/15/95/36/172159536.db2.gz WZLWOLBETXKNLQ-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000285360332 196260661 /nfs/dbraw/zinc/26/06/61/196260661.db2.gz AHKPZPXGNWPEHS-CZUORRHYSA-N 1 0 289.379 2.653 20 5 CFBDRO CCC[C@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285549943 196323028 /nfs/dbraw/zinc/32/30/28/196323028.db2.gz MFIQOCZHVJJWDD-HNNXBMFYSA-N 1 0 294.351 2.522 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000037010487 172868854 /nfs/dbraw/zinc/86/88/54/172868854.db2.gz LFRPLJFRGQVROF-KBPBESRZSA-N 1 0 264.325 2.815 20 5 CFBDRO CCC[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285688204 196367116 /nfs/dbraw/zinc/36/71/16/196367116.db2.gz VGRDAGNURLGZIZ-AWEZNQCLSA-N 1 0 264.325 2.644 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285765507 196392009 /nfs/dbraw/zinc/39/20/09/196392009.db2.gz ZRYAHCWEAGIQOB-CQSZACIVSA-N 1 0 264.325 2.644 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000038028991 174018535 /nfs/dbraw/zinc/01/85/35/174018535.db2.gz AYOUDRVWILBSSZ-AWEZNQCLSA-N 1 0 291.395 2.867 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000038043619 174050818 /nfs/dbraw/zinc/05/08/18/174050818.db2.gz QFIVZCQSUHFELL-NEPJUHHUSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000038079447 174089156 /nfs/dbraw/zinc/08/91/56/174089156.db2.gz GCMMJHKKPRHLKR-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000038089071 174102637 /nfs/dbraw/zinc/10/26/37/174102637.db2.gz YTDSMFTXSINLRN-MRVPVSSYSA-N 1 0 291.273 2.976 20 5 CFBDRO CC(C)(C)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000040493170 174292843 /nfs/dbraw/zinc/29/28/43/174292843.db2.gz BPDYQMHALYRFIC-UHFFFAOYSA-N 1 0 252.314 2.609 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000040623935 174355390 /nfs/dbraw/zinc/35/53/90/174355390.db2.gz XPBZFLPULRPYCX-NSHDSACASA-N 1 0 281.331 2.876 20 5 CFBDRO CCOC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000286283365 196553975 /nfs/dbraw/zinc/55/39/75/196553975.db2.gz USLXDGUUHVLJEE-ZDUSSCGKSA-N 1 0 296.367 2.624 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000044499300 175184729 /nfs/dbraw/zinc/18/47/29/175184729.db2.gz WKIOQQZVGZHBKZ-MNOVXSKESA-N 1 0 274.324 2.740 20 5 CFBDRO C[N@@H+]1CCC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044534073 175197934 /nfs/dbraw/zinc/19/79/34/175197934.db2.gz XHCQMNBRSUUJNB-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533985 175198052 /nfs/dbraw/zinc/19/80/52/175198052.db2.gz RDRTUFWWYROPOS-QWHCGFSZSA-N 1 0 277.368 2.587 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044537741 175199546 /nfs/dbraw/zinc/19/95/46/175199546.db2.gz UYYWRTZAGDXIJF-LBPRGKRZSA-N 1 0 263.341 2.657 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044690758 175233282 /nfs/dbraw/zinc/23/32/82/175233282.db2.gz VZLZGYNJDZPEEY-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000049558739 175487977 /nfs/dbraw/zinc/48/79/77/175487977.db2.gz QKGCWCBDIFUIEF-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000071207310 176081040 /nfs/dbraw/zinc/08/10/40/176081040.db2.gz CQFNDGRRDSGXCN-ZWNOBZJWSA-N 1 0 264.325 2.882 20 5 CFBDRO COC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000077897108 177307584 /nfs/dbraw/zinc/30/75/84/177307584.db2.gz VFMIZLJLWAALAG-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000418100312 228049426 /nfs/dbraw/zinc/04/94/26/228049426.db2.gz ONNONTPKPIKODD-AWEZNQCLSA-N 1 0 266.341 2.746 20 5 CFBDRO C[NH+](C)C1(CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000397779515 270319107 /nfs/dbraw/zinc/31/91/07/270319107.db2.gz OKBOZVBGCHKQCI-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000313069509 260243504 /nfs/dbraw/zinc/24/35/04/260243504.db2.gz XNFZTVVZBLEQKV-GXFFZTMASA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000313165477 260255347 /nfs/dbraw/zinc/25/53/47/260255347.db2.gz SOAJUQQPHBPYTQ-SWHYSGLUSA-N 1 0 266.341 2.795 20 5 CFBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000417992645 533685495 /nfs/dbraw/zinc/68/54/95/533685495.db2.gz OUTMWTXFVKLFPR-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000342314700 263419626 /nfs/dbraw/zinc/41/96/26/263419626.db2.gz YMYXFKMMFXIOCV-NEPJUHHUSA-N 1 0 282.315 2.974 20 5 CFBDRO CC(C)OCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000396318010 270314140 /nfs/dbraw/zinc/31/41/40/270314140.db2.gz GVBDQCZJYSVRPD-UHFFFAOYSA-N 1 0 266.341 2.888 20 5 CFBDRO CC[C@H]([NH2+]CCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395943982 270314290 /nfs/dbraw/zinc/31/42/90/270314290.db2.gz LGJXCMRWURAOCZ-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000396525286 270315102 /nfs/dbraw/zinc/31/51/02/270315102.db2.gz FBAQBVUVILBWLF-JQWIXIFHSA-N 1 0 264.325 2.813 20 5 CFBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000397370536 270317883 /nfs/dbraw/zinc/31/78/83/270317883.db2.gz QNAFOPKYFBMWTP-UHFFFAOYSA-N 1 0 270.304 2.592 20 5 CFBDRO C[C@H]([NH2+]CC1=CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000397759631 270319201 /nfs/dbraw/zinc/31/92/01/270319201.db2.gz PRAIUFSYEQGSFM-NSHDSACASA-N 1 0 262.309 2.592 20 5 CFBDRO CC[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182627667 273664263 /nfs/dbraw/zinc/66/42/63/273664263.db2.gz ZKOVBDCGKUDOEI-CYBMUJFWSA-N 1 0 277.368 2.602 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000276937634 273816431 /nfs/dbraw/zinc/81/64/31/273816431.db2.gz AKRHRAGCZYRLSF-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000222511395 274255510 /nfs/dbraw/zinc/25/55/10/274255510.db2.gz FKIKAWUKGAZWSA-VHSXEESVSA-N 1 0 260.297 2.730 20 5 CFBDRO C[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000093633683 274291268 /nfs/dbraw/zinc/29/12/68/274291268.db2.gz ANCPMHOHEWZXAV-QMTHXVAHSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309362 274406416 /nfs/dbraw/zinc/40/64/16/274406416.db2.gz OXBGGBMIIFJNCL-AXAPSJFSSA-N 1 0 289.379 2.702 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1CCO ZINC000449262262 274498794 /nfs/dbraw/zinc/49/87/94/274498794.db2.gz HAGOXUPBNMZBNM-VNHYZAJKSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cc(N[C@H](C)C[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420232573 274719878 /nfs/dbraw/zinc/71/98/78/274719878.db2.gz UVPQDRSMGFXQDM-SSDOTTSWSA-N 1 0 277.246 2.681 20 5 CFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](C2CC2)CC1 ZINC000302006322 275040604 /nfs/dbraw/zinc/04/06/04/275040604.db2.gz VTKHPSDRZPRGLH-UHFFFAOYSA-N 1 0 267.354 2.695 20 5 CFBDRO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000316939603 275041841 /nfs/dbraw/zinc/04/18/41/275041841.db2.gz AZJJBMLDSVZGAJ-NSHDSACASA-N 1 0 298.346 2.792 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169230 275697714 /nfs/dbraw/zinc/69/77/14/275697714.db2.gz OCZKWCXVAGEATA-JSGCOSHPSA-N 1 0 280.368 2.522 20 5 CFBDRO CCC(CC)(CO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449217341 275955230 /nfs/dbraw/zinc/95/52/30/275955230.db2.gz YOGBZJDVYYMHQZ-ZDUSSCGKSA-N 1 0 294.395 2.914 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159269 276212337 /nfs/dbraw/zinc/21/23/37/276212337.db2.gz YYHRSZAJHZWKGK-LRDDRELGSA-N 1 0 294.395 2.913 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000346166010 276242069 /nfs/dbraw/zinc/24/20/69/276242069.db2.gz ARKYBXPSDICJLX-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO CCOC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000044690654 276329359 /nfs/dbraw/zinc/32/93/59/276329359.db2.gz ASSLYWPQDMWZOA-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000294132256 276559946 /nfs/dbraw/zinc/55/99/46/276559946.db2.gz FPZYPOQGTMPLRG-SMDDNHRTSA-N 1 0 266.341 2.746 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCO ZINC000271200525 287910156 /nfs/dbraw/zinc/91/01/56/287910156.db2.gz ZDXJWCBTFPDYSJ-NWDGAFQWSA-N 1 0 298.408 2.826 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000067949202 276827758 /nfs/dbraw/zinc/82/77/58/276827758.db2.gz UCKLMHABIVQXKU-ZDUSSCGKSA-N 1 0 275.308 2.903 20 5 CFBDRO CSC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000347780075 278124301 /nfs/dbraw/zinc/12/43/01/278124301.db2.gz KWOVFYZGOVNREV-UHFFFAOYSA-N 1 0 278.377 2.849 20 5 CFBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000135457610 278140075 /nfs/dbraw/zinc/14/00/75/278140075.db2.gz NOXKCCWEDOKTGX-GFCCVEGCSA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281251597 278346667 /nfs/dbraw/zinc/34/66/67/278346667.db2.gz VZMHUTQDWXMVIV-CYBMUJFWSA-N 1 0 275.352 2.507 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000021502445 279101184 /nfs/dbraw/zinc/10/11/84/279101184.db2.gz ZRUUYUSXIZTVEV-GFCCVEGCSA-N 1 0 280.372 2.912 20 5 CFBDRO C[C@H](CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279136503 279356011 /nfs/dbraw/zinc/35/60/11/279356011.db2.gz RNWKRPJZQDMXCU-HZMBPMFUSA-N 1 0 278.352 2.535 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000449171906 279382451 /nfs/dbraw/zinc/38/24/51/279382451.db2.gz LEPMDNGRTWTEBN-UMVBOHGHSA-N 1 0 291.395 2.598 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1C ZINC000449281831 279382506 /nfs/dbraw/zinc/38/25/06/279382506.db2.gz FIUFVHOUUMTUJW-YRGRVCCFSA-N 1 0 278.352 2.540 20 5 CFBDRO CC(C)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000071912853 280488016 /nfs/dbraw/zinc/48/80/16/280488016.db2.gz HUROKEPVHFHMFB-UHFFFAOYSA-N 1 0 277.368 2.763 20 5 CFBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286393131 280584228 /nfs/dbraw/zinc/58/42/28/280584228.db2.gz PBJNZMDYEHNYKS-HIFRSBDPSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1cc(N2C[C@@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000368109215 280585815 /nfs/dbraw/zinc/58/58/15/280585815.db2.gz NPFFWPAPWUHJHI-TXEJJXNPSA-N 1 0 299.330 2.534 20 5 CFBDRO COC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000119804416 280610763 /nfs/dbraw/zinc/61/07/63/280610763.db2.gz IVJXMCRXCHEBFJ-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000126513128 280653713 /nfs/dbraw/zinc/65/37/13/280653713.db2.gz UITFTVAQUCMSJJ-CYBMUJFWSA-N 1 0 266.366 2.970 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190915651 280892684 /nfs/dbraw/zinc/89/26/84/280892684.db2.gz OBQVLCJKECCJPG-TZMCWYRMSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190914711 280892966 /nfs/dbraw/zinc/89/29/66/280892966.db2.gz IDPYHOIMBGIPGE-CNPQOGTOSA-N 1 0 276.336 2.765 20 5 CFBDRO CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247407929 281011108 /nfs/dbraw/zinc/01/11/08/281011108.db2.gz CADQYSHSJIYTRT-NWDGAFQWSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)c1 ZINC000301566947 281012319 /nfs/dbraw/zinc/01/23/19/281012319.db2.gz MQBFNPMFZWHUSS-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000249633681 281064642 /nfs/dbraw/zinc/06/46/42/281064642.db2.gz VYUAEDDOEACNJI-UWVGGRQHSA-N 1 0 284.385 2.584 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000251525959 281072855 /nfs/dbraw/zinc/07/28/55/281072855.db2.gz LVTACBFRRPMUOU-LERXQTSPSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273080504 281123088 /nfs/dbraw/zinc/12/30/88/281123088.db2.gz QLRLSHHZINEHRA-CABCVRRESA-N 1 0 276.336 2.642 20 5 CFBDRO CS[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296259598 281142397 /nfs/dbraw/zinc/14/23/97/281142397.db2.gz LUBPFICKPPMKGT-GFCCVEGCSA-N 1 0 266.366 2.841 20 5 CFBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358024600 281181351 /nfs/dbraw/zinc/18/13/51/281181351.db2.gz RJXOZECPNYXOIR-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000374627679 281191351 /nfs/dbraw/zinc/19/13/51/281191351.db2.gz CWMBWGCVZGZAKR-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1 ZINC000397822978 281202726 /nfs/dbraw/zinc/20/27/26/281202726.db2.gz FNGNFJFYJHVLQJ-PSASIEDQSA-N 1 0 270.329 2.718 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000430238491 281232721 /nfs/dbraw/zinc/23/27/21/281232721.db2.gz KMLKFMUHHACXEN-GHMZBOCLSA-N 1 0 264.325 2.691 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449344595 281241905 /nfs/dbraw/zinc/24/19/05/281241905.db2.gz RUKAMAJBQGHTJQ-IAQYHMDHSA-N 1 0 278.352 2.540 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301140989 281260481 /nfs/dbraw/zinc/26/04/81/281260481.db2.gz FPECOVFIITZGMV-ZDUSSCGKSA-N 1 0 275.352 2.578 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@@H]1C ZINC000526989510 281322437 /nfs/dbraw/zinc/32/24/37/281322437.db2.gz MJDKUNWMZSNEQS-PHIMTYICSA-N 1 0 264.325 2.976 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000532507264 281455412 /nfs/dbraw/zinc/45/54/12/281455412.db2.gz KGNOTRGVZDUMIS-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537962491 281546959 /nfs/dbraw/zinc/54/69/59/281546959.db2.gz BFEYGEDQELCJAH-RYUDHWBXSA-N 1 0 298.408 2.668 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539068615 281565437 /nfs/dbraw/zinc/56/54/37/281565437.db2.gz CINMKKOSAHYFBY-ZDUSSCGKSA-N 1 0 296.367 2.624 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000554755996 281903611 /nfs/dbraw/zinc/90/36/11/281903611.db2.gz JZMLKEBZHPAZKE-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000562293889 282073180 /nfs/dbraw/zinc/07/31/80/282073180.db2.gz YQMIGFRCGIGINA-GWCFXTLKSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CCO ZINC000151919824 289834401 /nfs/dbraw/zinc/83/44/01/289834401.db2.gz RICKDVIGKSRVHX-PWSUYJOCSA-N 1 0 266.341 2.572 20 5 CFBDRO C[NH+](C)CC(C)(C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000308660693 290012825 /nfs/dbraw/zinc/01/28/25/290012825.db2.gz YUFUKXIIVLCCFW-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000166633587 290062468 /nfs/dbraw/zinc/06/24/68/290062468.db2.gz VZBKFZBMDYKLNP-GOPGUHFVSA-N 1 0 298.342 2.904 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000563153316 290109700 /nfs/dbraw/zinc/10/97/00/290109700.db2.gz RDESFFVHYMBFOU-STQMWFEESA-N 1 0 277.368 2.635 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416103 290146406 /nfs/dbraw/zinc/14/64/06/290146406.db2.gz FSKBPTWRVVCFKZ-ZBFHGGJFSA-N 1 0 292.379 2.969 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564039980 290189643 /nfs/dbraw/zinc/18/96/43/290189643.db2.gz WEECXSDFBCMFGJ-ZLKJLUDKSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCCO1 ZINC000564586151 290217539 /nfs/dbraw/zinc/21/75/39/290217539.db2.gz VQOVLNVAPWRNRX-FZMZJTMJSA-N 1 0 276.336 2.741 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564811922 290234986 /nfs/dbraw/zinc/23/49/86/290234986.db2.gz SGRURXSVBVZFTG-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CO[C@@H](C)C1 ZINC000566220586 290359990 /nfs/dbraw/zinc/35/99/90/290359990.db2.gz KHIDOAYPTOWVBR-MBNYWOFBSA-N 1 0 278.352 2.683 20 5 CFBDRO CCN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474191 290390597 /nfs/dbraw/zinc/39/05/97/290390597.db2.gz FPYQCQRQTWTXPF-OAHLLOKOSA-N 1 0 289.379 2.656 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000566630666 290406490 /nfs/dbraw/zinc/40/64/90/290406490.db2.gz NCAXBBPQKLYDSF-CQSZACIVSA-N 1 0 299.330 2.776 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CO1 ZINC000566914734 290426381 /nfs/dbraw/zinc/42/63/81/290426381.db2.gz YKMBDYMMSJIJMP-BYCMXARLSA-N 1 0 290.363 2.683 20 5 CFBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162539317 322365727 /nfs/dbraw/zinc/36/57/27/322365727.db2.gz RKUYLLNPTGAFEI-CHWSQXEVSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000162762797 322368546 /nfs/dbraw/zinc/36/85/46/322368546.db2.gz YQUKTSOHOVKYFE-SMDDNHRTSA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000165260838 322384658 /nfs/dbraw/zinc/38/46/58/322384658.db2.gz DZRNQXOLNJPDHE-UGFHNGPFSA-N 1 0 278.352 2.857 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571659868 322591576 /nfs/dbraw/zinc/59/15/76/322591576.db2.gz SBAQCIRNAOTYLU-AOOOYVTPSA-N 1 0 281.743 2.579 20 5 CFBDRO CO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000572015056 322604335 /nfs/dbraw/zinc/60/43/35/322604335.db2.gz JKCMUTQHXLEYKM-ZFWWWQNUSA-N 1 0 276.336 2.597 20 5 CFBDRO CC1CC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572104747 322607527 /nfs/dbraw/zinc/60/75/27/322607527.db2.gz YNLYZLUHZXYKAR-TYUFSLCMSA-N 1 0 278.356 2.663 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccccn3)c2c1 ZINC000572638570 322626331 /nfs/dbraw/zinc/62/63/31/322626331.db2.gz LQBHSZPZRWEKCZ-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000572642258 322626624 /nfs/dbraw/zinc/62/66/24/322626624.db2.gz VZBWIMUDYFJERM-MDZLAQPJSA-N 1 0 294.351 2.822 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000386963310 324484590 /nfs/dbraw/zinc/48/45/90/324484590.db2.gz ZMIJVNOSMSFVAW-GDLCADMTSA-N 1 0 266.341 2.795 20 5 CFBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000388283410 324503667 /nfs/dbraw/zinc/50/36/67/324503667.db2.gz OBIBVPOIGJELQT-YMTOWFKASA-N 1 0 282.315 2.637 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC1(O)CCCC1 ZINC000580186599 325013942 /nfs/dbraw/zinc/01/39/42/325013942.db2.gz APTSLZHGFIZCSS-UHFFFAOYSA-N 1 0 298.770 2.685 20 5 CFBDRO C[C@H](F)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581206590 325100761 /nfs/dbraw/zinc/10/07/61/325100761.db2.gz WJKXIVKOYSDKCN-QWRGUYRKSA-N 1 0 297.330 2.650 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581499151 325127741 /nfs/dbraw/zinc/12/77/41/325127741.db2.gz VHUFDSKFRLWCAP-HONMWMINSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000582115267 325176779 /nfs/dbraw/zinc/17/67/79/325176779.db2.gz GUCKYNGRUCYFPA-AAEUAGOBSA-N 1 0 279.384 2.752 20 5 CFBDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735761 325230491 /nfs/dbraw/zinc/23/04/91/325230491.db2.gz NNVICQPJCWUOPI-GDBMZVCRSA-N 1 0 289.379 2.512 20 5 CFBDRO CC(C)[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354395337 500579088 /nfs/dbraw/zinc/57/90/88/500579088.db2.gz DLXQNLDTCHITNW-STQMWFEESA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423253601 533896983 /nfs/dbraw/zinc/89/69/83/533896983.db2.gz ZCEWJQRILJYFBI-LRDDRELGSA-N 1 0 285.347 2.945 20 5 CFBDRO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423245284 533898373 /nfs/dbraw/zinc/89/83/73/533898373.db2.gz OLQWOYHBAFKBKV-LRDDRELGSA-N 1 0 285.347 2.945 20 5 CFBDRO CC(C)C[C@H]([NH3+])c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000339393447 519377807 /nfs/dbraw/zinc/37/78/07/519377807.db2.gz GROWFRJGSANIFG-LBPRGKRZSA-N 1 0 290.323 2.615 20 5 CFBDRO CC(C)OC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000337346500 519772911 /nfs/dbraw/zinc/77/29/11/519772911.db2.gz WLWWBGIQDRWPJS-LBPRGKRZSA-N 1 0 266.341 2.540 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000165466191 519800546 /nfs/dbraw/zinc/80/05/46/519800546.db2.gz JHTXFLIFWSXRRR-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361652957 519835922 /nfs/dbraw/zinc/83/59/22/519835922.db2.gz HCRIOXQCPUBKSU-JSGCOSHPSA-N 1 0 292.379 2.778 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353114892 519854762 /nfs/dbraw/zinc/85/47/62/519854762.db2.gz CRBBHUFYPMQQTD-HNNXBMFYSA-N 1 0 291.395 2.867 20 5 CFBDRO CCOCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458485 519910913 /nfs/dbraw/zinc/91/09/13/519910913.db2.gz NLMVXFXYRDKARR-UHFFFAOYSA-N 1 0 266.341 2.842 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000233777951 520150024 /nfs/dbraw/zinc/15/00/24/520150024.db2.gz JUUUJSHKJWAEBD-AWEZNQCLSA-N 1 0 296.367 2.754 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000195527273 520360202 /nfs/dbraw/zinc/36/02/02/520360202.db2.gz CMVICRVUIFDZFX-UHFFFAOYSA-N 1 0 299.758 2.917 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000085397764 520364854 /nfs/dbraw/zinc/36/48/54/520364854.db2.gz PTSNBLSHWXPKBN-HUUCEWRRSA-N 1 0 292.379 2.931 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000068853418 520536098 /nfs/dbraw/zinc/53/60/98/520536098.db2.gz QEPOMGLHAMRBJE-UHFFFAOYSA-N 1 0 296.367 2.852 20 5 CFBDRO CC[NH+](CC)CCCSc1ccc([N+](=O)[O-])cn1 ZINC000194558150 520624886 /nfs/dbraw/zinc/62/48/86/520624886.db2.gz YXWJNVUSJLROLB-UHFFFAOYSA-N 1 0 269.370 2.814 20 5 CFBDRO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458494 520677926 /nfs/dbraw/zinc/67/79/26/520677926.db2.gz HMUPDEVRQAMRPN-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360082014 520848157 /nfs/dbraw/zinc/84/81/57/520848157.db2.gz IYWAXRGUEZYDNO-GFCCVEGCSA-N 1 0 295.358 2.963 20 5 CFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000070015395 521149980 /nfs/dbraw/zinc/14/99/80/521149980.db2.gz YDDLMALNLKYKRY-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO [NH3+]C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000414840876 534547693 /nfs/dbraw/zinc/54/76/93/534547693.db2.gz KQPFKLQRNVOVFC-VURMDHGXSA-N 1 0 289.379 2.859 20 5 CFBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000414861872 534549083 /nfs/dbraw/zinc/54/90/83/534549083.db2.gz TZPOPDKSYDGKKX-UHFFFAOYSA-N 1 0 277.368 2.736 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000338379730 521422597 /nfs/dbraw/zinc/42/25/97/521422597.db2.gz NUBQODCWNPAVSW-UHFFFAOYSA-N 1 0 296.367 2.634 20 5 CFBDRO CCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000063755612 521485173 /nfs/dbraw/zinc/48/51/73/521485173.db2.gz BFEDKAOPLXRWIL-UHFFFAOYSA-N 1 0 252.314 2.706 20 5 CFBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480551 521514454 /nfs/dbraw/zinc/51/44/54/521514454.db2.gz BOSMVGTUZHLPLV-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO CCN1CCC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077248641 521562706 /nfs/dbraw/zinc/56/27/06/521562706.db2.gz BIRPNMKEUOCELQ-UHFFFAOYSA-N 1 0 291.395 2.553 20 5 CFBDRO CC[C@@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000079742451 522595815 /nfs/dbraw/zinc/59/58/15/522595815.db2.gz SZFNCRPSXVJUNI-JTQLQIEISA-N 1 0 272.732 2.763 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000361157347 522666284 /nfs/dbraw/zinc/66/62/84/522666284.db2.gz WFNZLYHOPBUTEH-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000357563412 522940648 /nfs/dbraw/zinc/94/06/48/522940648.db2.gz IIZJUCUAMOBQCL-LBPRGKRZSA-N 1 0 295.383 2.882 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340690262 523108163 /nfs/dbraw/zinc/10/81/63/523108163.db2.gz KLVWHNWLVOXOKO-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340690818 523267292 /nfs/dbraw/zinc/26/72/92/523267292.db2.gz MSTPHNRRJYRXTK-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000364854862 523781800 /nfs/dbraw/zinc/78/18/00/523781800.db2.gz LHQUNVAEHSYXMP-TVYUQYBPSA-N 1 0 296.392 2.950 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000339434092 523835899 /nfs/dbraw/zinc/83/58/99/523835899.db2.gz PQGLTAWLANNMMT-CQSZACIVSA-N 1 0 295.408 2.574 20 5 CFBDRO C[NH+](C)C1(CNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000061555326 524037019 /nfs/dbraw/zinc/03/70/19/524037019.db2.gz NYYOBPBZQTXQFP-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553704 524170154 /nfs/dbraw/zinc/17/01/54/524170154.db2.gz MHQWFQVFEKAPSS-VXGBXAGGSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337210790 524399533 /nfs/dbraw/zinc/39/95/33/524399533.db2.gz DATMXHXJZWLYJM-RYUDHWBXSA-N 1 0 291.351 2.796 20 5 CFBDRO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553701 524478342 /nfs/dbraw/zinc/47/83/42/524478342.db2.gz MHQWFQVFEKAPSS-RYUDHWBXSA-N 1 0 265.357 2.586 20 5 CFBDRO Cc1ccc(C[NH2+]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000063099488 524576056 /nfs/dbraw/zinc/57/60/56/524576056.db2.gz LYHRBPHBYKADMR-UHFFFAOYSA-N 1 0 262.231 2.945 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000315175765 524579114 /nfs/dbraw/zinc/57/91/14/524579114.db2.gz YQQAUKAQUXRMLJ-HIFRSBDPSA-N 1 0 292.379 2.792 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230313732 524609305 /nfs/dbraw/zinc/60/93/05/524609305.db2.gz SGAFSKBEYWASCH-ZFWWWQNUSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000230155512 524612096 /nfs/dbraw/zinc/61/20/96/524612096.db2.gz PAXHALWTRDPNOK-BXUZGUMPSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cccc(NCCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000158248810 524675230 /nfs/dbraw/zinc/67/52/30/524675230.db2.gz HXVJYOFUXFJKDK-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO C[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000310919016 524754484 /nfs/dbraw/zinc/75/44/84/524754484.db2.gz ZVIVHBZJXDKHCM-VIFPVBQESA-N 1 0 271.748 2.858 20 5 CFBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000361155518 524918946 /nfs/dbraw/zinc/91/89/46/524918946.db2.gz UJNUEFITCQXQMN-RNUUNTDPSA-N 1 0 289.379 2.632 20 5 CFBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000235652718 525054382 /nfs/dbraw/zinc/05/43/82/525054382.db2.gz PHKLPXBZIAYNGM-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000235650054 525054668 /nfs/dbraw/zinc/05/46/68/525054668.db2.gz IFTUKTWGTWFTDW-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cc(NCc2ccn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317017033 525282472 /nfs/dbraw/zinc/28/24/72/525282472.db2.gz BVDAPOMASAEPQB-UHFFFAOYSA-N 1 0 297.318 2.797 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000077221020 525450008 /nfs/dbraw/zinc/45/00/08/525450008.db2.gz QVQHEGIZYXBWBU-LBPRGKRZSA-N 1 0 299.330 2.712 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000230061475 525457279 /nfs/dbraw/zinc/45/72/79/525457279.db2.gz QSUPDHJUCJMGMA-VXGBXAGGSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000340246053 525462480 /nfs/dbraw/zinc/46/24/80/525462480.db2.gz HIULYHJRAQAPNG-DOMZBBRYSA-N 1 0 278.352 2.685 20 5 CFBDRO CSCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000069433641 525484811 /nfs/dbraw/zinc/48/48/11/525484811.db2.gz XAKFQAYDFFTSCM-SNVBAGLBSA-N 1 0 254.355 2.999 20 5 CFBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000050182637 525499674 /nfs/dbraw/zinc/49/96/74/525499674.db2.gz CTORDNNJPRTYTC-NSHDSACASA-N 1 0 288.351 2.910 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000056196949 525535241 /nfs/dbraw/zinc/53/52/41/525535241.db2.gz YVVGSAMRNBFGBD-QWRGUYRKSA-N 1 0 293.367 2.549 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000235446548 525581545 /nfs/dbraw/zinc/58/15/45/525581545.db2.gz IFTUKTWGTWFTDW-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOC1CCCC1 ZINC000111607894 534887328 /nfs/dbraw/zinc/88/73/28/534887328.db2.gz TWPQLFVROQSVGY-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000230897713 525922325 /nfs/dbraw/zinc/92/23/25/525922325.db2.gz MOUBQJGOIQWAGO-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H](CO)C2)ccc1Cl ZINC000360876203 527329071 /nfs/dbraw/zinc/32/90/71/527329071.db2.gz ZDBAPKYZHZVVKI-GFCCVEGCSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159502497 527331441 /nfs/dbraw/zinc/33/14/41/527331441.db2.gz QIGGFRRCJCCCLK-RTXFEEFZSA-N 1 0 294.376 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCSC2)cc1 ZINC000061588978 527347683 /nfs/dbraw/zinc/34/76/83/527347683.db2.gz LRDWMNBZLMKSHA-GFCCVEGCSA-N 1 0 266.366 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000364990540 527350608 /nfs/dbraw/zinc/35/06/08/527350608.db2.gz JAUAUWBVWLWGQP-SUMWQHHRSA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c2ncccc12 ZINC000054917840 527363471 /nfs/dbraw/zinc/36/34/71/527363471.db2.gz KSUYVLICUZCWGF-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCCS1 ZINC000158081703 527401155 /nfs/dbraw/zinc/40/11/55/527401155.db2.gz JRVBORAFPNTNEI-LBPRGKRZSA-N 1 0 266.366 2.970 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCC1CCOCC1 ZINC000361463914 527401243 /nfs/dbraw/zinc/40/12/43/527401243.db2.gz HOERALGZVIRABK-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000363427747 527489190 /nfs/dbraw/zinc/48/91/90/527489190.db2.gz YTCUNKSRVSBSJZ-UHFFFAOYSA-N 1 0 292.383 2.875 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000425989118 527502298 /nfs/dbraw/zinc/50/22/98/527502298.db2.gz JDSIVZRRRLRQDS-MKGJVGOLSA-N 1 0 290.363 2.701 20 5 CFBDRO CCC[C@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423318935 528217523 /nfs/dbraw/zinc/21/75/23/528217523.db2.gz FCDXMHCTARLMRD-AWEZNQCLSA-N 1 0 277.368 2.907 20 5 CFBDRO CCCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173454039 528348667 /nfs/dbraw/zinc/34/86/67/528348667.db2.gz JBIUTXWJVPVOIJ-UHFFFAOYSA-N 1 0 282.340 2.714 20 5 CFBDRO CCC[NH2+]CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423310319 528517729 /nfs/dbraw/zinc/51/77/29/528517729.db2.gz NHLDQDJSEOBKEX-HNNXBMFYSA-N 1 0 277.368 2.561 20 5 CFBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC001155019795 782167128 /nfs/dbraw/zinc/16/71/28/782167128.db2.gz GIYUAFYODROIAE-ZJUUUORDSA-N 1 0 298.774 2.691 20 5 CFBDRO CCCC[C@@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414811093 528818938 /nfs/dbraw/zinc/81/89/38/528818938.db2.gz IVBHJWSICJPSKC-QPBFKRLHSA-N 1 0 277.368 2.715 20 5 CFBDRO CC1(C)CCC[NH2+][C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000414920902 528951647 /nfs/dbraw/zinc/95/16/47/528951647.db2.gz AMZPCFRZHNBOPU-AWEZNQCLSA-N 1 0 295.358 2.602 20 5 CFBDRO CCC[C@@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423241655 529011849 /nfs/dbraw/zinc/01/18/49/529011849.db2.gz VARZMTAMIVTIGN-UKRRQHHQSA-N 1 0 277.368 2.778 20 5 CFBDRO CC(C)(O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269086381 535283478 /nfs/dbraw/zinc/28/34/78/535283478.db2.gz IGLRPMXCSGOIFE-UHFFFAOYSA-N 1 0 278.352 2.720 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000444759560 535767591 /nfs/dbraw/zinc/76/75/91/535767591.db2.gz GNKURDCDSVIVDN-MRXNPFEDSA-N 1 0 292.379 2.764 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459746824 535943344 /nfs/dbraw/zinc/94/33/44/535943344.db2.gz VJQDSRMYVBCJOP-LGVMCUBASA-N 1 0 276.336 2.765 20 5 CFBDRO CO[C@@H](C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263763380 536871005 /nfs/dbraw/zinc/87/10/05/536871005.db2.gz BDPISPCBIMMHFG-PZBABLGHSA-N 1 0 264.325 2.623 20 5 CFBDRO Cn1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000748098771 574229417 /nfs/dbraw/zinc/22/94/17/574229417.db2.gz NKIRZXUTVNGSDD-UHFFFAOYSA-N 1 0 279.727 2.877 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000749267760 574286935 /nfs/dbraw/zinc/28/69/35/574286935.db2.gz FFAGAJCILNABAQ-SNVBAGLBSA-N 1 0 299.346 2.885 20 5 CFBDRO CC[N@@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000742207136 574319074 /nfs/dbraw/zinc/31/90/74/574319074.db2.gz QZRJCOPCAIBAOS-DZGCQCFKSA-N 1 0 291.395 2.723 20 5 CFBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000750093814 574324164 /nfs/dbraw/zinc/32/41/64/574324164.db2.gz VGSKYZVTQXDZBN-HNNXBMFYSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[N@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000750602983 574349130 /nfs/dbraw/zinc/34/91/30/574349130.db2.gz KCAPEJAEGCEUEF-UHFFFAOYSA-N 1 0 262.313 2.634 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000752922570 574396475 /nfs/dbraw/zinc/39/64/75/574396475.db2.gz GHVLMICOZUZMHQ-OAHLLOKOSA-N 1 0 290.363 2.941 20 5 CFBDRO CCOc1cc(CN2CCO[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000932338799 617662535 /nfs/dbraw/zinc/66/25/35/617662535.db2.gz GSUCFGURXHUDDP-LBPRGKRZSA-N 1 0 294.351 2.604 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000932372085 617696815 /nfs/dbraw/zinc/69/68/15/617696815.db2.gz FISWKEYNINDZSO-QMMMGPOBSA-N 1 0 288.294 2.776 20 5 CFBDRO C[NH+](C)CC(C)(C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000308636669 617715212 /nfs/dbraw/zinc/71/52/12/617715212.db2.gz NOCLAUWUPZFZOZ-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO C[C@@H]1CSCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934303837 617992980 /nfs/dbraw/zinc/99/29/80/617992980.db2.gz OPWHZYROPIWLAI-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccsc2)cc1 ZINC000158631339 618072097 /nfs/dbraw/zinc/07/20/97/618072097.db2.gz RBKMJXVHUUZKSO-AWEZNQCLSA-N 1 0 292.360 2.522 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219163896 618165916 /nfs/dbraw/zinc/16/59/16/618165916.db2.gz KMUPQIUWVBWBOS-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(CO)CCCC1 ZINC000093632893 618208800 /nfs/dbraw/zinc/20/88/00/618208800.db2.gz UEJRGXIMBMJFSQ-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933372253 618212417 /nfs/dbraw/zinc/21/24/17/618212417.db2.gz IYWWLMZZFZIVPC-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2([C@@H]3CCCCO3)CC2)cc1 ZINC000933378146 618214891 /nfs/dbraw/zinc/21/48/91/618214891.db2.gz SEMZSORBJVKCBF-HNNXBMFYSA-N 1 0 290.363 2.829 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933375546 618214973 /nfs/dbraw/zinc/21/49/73/618214973.db2.gz KTHRKYVKGRDFHK-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2([C@H]3CCCCO3)CC2)cc1 ZINC000933378149 618215147 /nfs/dbraw/zinc/21/51/47/618215147.db2.gz SEMZSORBJVKCBF-OAHLLOKOSA-N 1 0 290.363 2.829 20 5 CFBDRO CSC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000235240622 618216734 /nfs/dbraw/zinc/21/67/34/618216734.db2.gz XTAQCYHDFLYYJJ-CYBMUJFWSA-N 1 0 296.392 2.504 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000895114557 618316508 /nfs/dbraw/zinc/31/65/08/618316508.db2.gz CURZWCVYVOJFFA-UHFFFAOYSA-N 1 0 268.313 2.539 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000235505236 618356878 /nfs/dbraw/zinc/35/68/78/618356878.db2.gz VHULFADTUJKKBY-LOWVWBTDSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925639347 618375063 /nfs/dbraw/zinc/37/50/63/618375063.db2.gz BRFBVDABHXRLBX-HZPDHXFCSA-N 1 0 292.379 2.788 20 5 CFBDRO CCC[NH+](CCC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351008 618375774 /nfs/dbraw/zinc/37/57/74/618375774.db2.gz OIRSUHMWPOXLQV-CQSZACIVSA-N 1 0 266.341 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1Cl ZINC000841105332 618376202 /nfs/dbraw/zinc/37/62/02/618376202.db2.gz JZGKAFBXTMUHNV-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931257385 618472299 /nfs/dbraw/zinc/47/22/99/618472299.db2.gz DAJPFYOQWMIJMB-ZDUSSCGKSA-N 1 0 266.316 2.670 20 5 CFBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000895324496 618533735 /nfs/dbraw/zinc/53/37/35/618533735.db2.gz HVNWVRZCHLSFKG-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892608648 618652754 /nfs/dbraw/zinc/65/27/54/618652754.db2.gz RMXAXVJJJXNPAN-ZYHUDNBSSA-N 1 0 299.168 2.858 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000892686379 618709639 /nfs/dbraw/zinc/70/96/39/618709639.db2.gz KCDVTZPPNICDJC-SECBINFHSA-N 1 0 280.324 2.587 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833641 618729848 /nfs/dbraw/zinc/72/98/48/618729848.db2.gz AKANMBVZJFONRA-NOHGZBONSA-N 1 0 264.325 2.669 20 5 CFBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893107371 618834547 /nfs/dbraw/zinc/83/45/47/618834547.db2.gz BAZBVHHNWWFHOI-ZYHUDNBSSA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516134 618855248 /nfs/dbraw/zinc/85/52/48/618855248.db2.gz VOZQLPZZYGCFQW-CXAGYDPISA-N 1 0 299.374 2.815 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CC(C)C)c1[N+](=O)[O-] ZINC000893183816 618870458 /nfs/dbraw/zinc/87/04/58/618870458.db2.gz PIWSPEKZNGHKRP-JTQLQIEISA-N 1 0 282.340 2.833 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582028 618931006 /nfs/dbraw/zinc/93/10/06/618931006.db2.gz OPFIKUIUKYPZCY-JSGCOSHPSA-N 1 0 264.325 2.503 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000313016362 618972610 /nfs/dbraw/zinc/97/26/10/618972610.db2.gz AYEGGTMTSSAKBK-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633679 619041647 /nfs/dbraw/zinc/04/16/47/619041647.db2.gz YAOJRLUSSDFXIV-WDEREUQCSA-N 1 0 297.786 2.807 20 5 CFBDRO CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000093633654 619041816 /nfs/dbraw/zinc/04/18/16/619041816.db2.gz YHVQOWTUQCVILI-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841694946 619168840 /nfs/dbraw/zinc/16/88/40/619168840.db2.gz YRGYRWYEAITYCN-STQMWFEESA-N 1 0 280.372 2.895 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000893874207 619233113 /nfs/dbraw/zinc/23/31/13/619233113.db2.gz HXUBOGOWVZQDSI-UHFFFAOYSA-N 1 0 294.351 2.835 20 5 CFBDRO CC[C@@H](COC)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632949 619281924 /nfs/dbraw/zinc/28/19/24/619281924.db2.gz LMEKNNAHIXNZQB-NSHDSACASA-N 1 0 272.732 2.763 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261912197 619312924 /nfs/dbraw/zinc/31/29/24/619312924.db2.gz YOXPRHKHZRXWKL-CQSZACIVSA-N 1 0 297.786 2.680 20 5 CFBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894796899 619468597 /nfs/dbraw/zinc/46/85/97/619468597.db2.gz HDFLJPPMTWFAJA-GASCZTMLSA-N 1 0 293.342 2.512 20 5 CFBDRO C[N@@H+]1C[C@@]2(C)CN(c3c(F)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894801917 619469900 /nfs/dbraw/zinc/46/99/00/619469900.db2.gz KQAGJMVSPSHLRD-GASCZTMLSA-N 1 0 293.342 2.512 20 5 CFBDRO C[C@@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000895739071 619593490 /nfs/dbraw/zinc/59/34/90/619593490.db2.gz AUGGPRBHLCQMGR-SCZZXKLOSA-N 1 0 292.364 2.709 20 5 CFBDRO Cc1cc(NC[C@@H]2CC[N@H+]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000895769345 619602587 /nfs/dbraw/zinc/60/25/87/619602587.db2.gz BUQFOPDAVLDFHW-NSHDSACASA-N 1 0 286.335 2.567 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2(C3CC3)CCC2)c1[N+](=O)[O-] ZINC000896072053 619666119 /nfs/dbraw/zinc/66/61/19/619666119.db2.gz WERPWVOATOGSOJ-UHFFFAOYSA-N 1 0 292.335 2.731 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2cncs2)cc1[N+](=O)[O-] ZINC000168971056 620141351 /nfs/dbraw/zinc/14/13/51/620141351.db2.gz YZNBVORZTGHVJZ-UHFFFAOYSA-N 1 0 263.322 2.650 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897458971 620176485 /nfs/dbraw/zinc/17/64/85/620176485.db2.gz GVDSDATYQVDHRR-QWHCGFSZSA-N 1 0 290.363 3.000 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000897461166 620176792 /nfs/dbraw/zinc/17/67/92/620176792.db2.gz MFCJBPANUKDUPG-RWMBFGLXSA-N 1 0 278.352 2.855 20 5 CFBDRO Cc1cnn(C)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463081 620176972 /nfs/dbraw/zinc/17/69/72/620176972.db2.gz ATTSTEWLJPDMLX-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000897465422 620177047 /nfs/dbraw/zinc/17/70/47/620177047.db2.gz VXQMUKSYTXKRLQ-FZMZJTMJSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+]CC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897463263 620177226 /nfs/dbraw/zinc/17/72/26/620177226.db2.gz DNBHDHSBEGCDRZ-CHWSQXEVSA-N 1 0 278.352 2.715 20 5 CFBDRO CCn1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897469498 620178364 /nfs/dbraw/zinc/17/83/64/620178364.db2.gz LJGPXMCQGRUSIM-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1c(C[NH2+]CC2(C3(O)CCC3)CC2)cccc1[N+](=O)[O-] ZINC000897524656 620209263 /nfs/dbraw/zinc/20/92/63/620209263.db2.gz BNKBHRCBKMWJKF-UHFFFAOYSA-N 1 0 290.363 2.688 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000927023625 620441346 /nfs/dbraw/zinc/44/13/46/620441346.db2.gz DTVXEKPTWFFGCR-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO CCOCCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000927088830 620451383 /nfs/dbraw/zinc/45/13/83/620451383.db2.gz WUXCZLHZAYINCT-ZDUSSCGKSA-N 1 0 296.367 2.607 20 5 CFBDRO O=[N+]([O-])c1ccc(OC[C@H]2CCCC[NH2+]C2)c(F)c1F ZINC000899629708 620588452 /nfs/dbraw/zinc/58/84/52/620588452.db2.gz INEXTHNRQDBXJJ-VIFPVBQESA-N 1 0 286.278 2.642 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]2C2CCCC2)c1 ZINC000899912916 620612603 /nfs/dbraw/zinc/61/26/03/620612603.db2.gz SWMMRSQFVBKBEX-HZPDHXFCSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H](OC(=O)CC[NH2+]C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902486893 621111922 /nfs/dbraw/zinc/11/19/22/621111922.db2.gz DYAFBZWAXFAAKI-LLVKDONJSA-N 1 0 294.351 2.977 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903078289 621244317 /nfs/dbraw/zinc/24/43/17/621244317.db2.gz FIRJWQQJJRYYPM-WDEREUQCSA-N 1 0 282.340 2.537 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903099016 621252152 /nfs/dbraw/zinc/25/21/52/621252152.db2.gz XDWCRHLZTHBPAQ-ZYHUDNBSSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC2(O)CCCC2)cc([N+](=O)[O-])c1 ZINC000903096927 621259089 /nfs/dbraw/zinc/25/90/89/621259089.db2.gz NJHAARLORDCWDK-LLVKDONJSA-N 1 0 294.351 2.559 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119842 621260640 /nfs/dbraw/zinc/26/06/40/621260640.db2.gz KNFMJSWRLIYCBM-RISCZKNCSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157215 621269832 /nfs/dbraw/zinc/26/98/32/621269832.db2.gz ATHINVIRXWMQNO-GARJFASQSA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903159372 621270791 /nfs/dbraw/zinc/27/07/91/621270791.db2.gz HBNXCPUHYMMDKS-JRPNMDOOSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903179102 621276410 /nfs/dbraw/zinc/27/64/10/621276410.db2.gz MPXROACUQKKDCV-HZMBPMFUSA-N 1 0 294.351 2.822 20 5 CFBDRO C/C=C/C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903205783 621287662 /nfs/dbraw/zinc/28/76/62/621287662.db2.gz DJEVJNGLNAMXTI-YEZKRMTDSA-N 1 0 250.298 2.830 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903209091 621288540 /nfs/dbraw/zinc/28/85/40/621288540.db2.gz GHQPPWSHWKZSHR-GYSYKLTISA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903210131 621288756 /nfs/dbraw/zinc/28/87/56/621288756.db2.gz SYLOLXCQULHUFZ-DZHLUBAWSA-N 1 0 294.351 2.820 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903213724 621289998 /nfs/dbraw/zinc/28/99/98/621289998.db2.gz QCCZVURUNRJZKL-NQBHXWOUSA-N 1 0 296.367 2.804 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903244774 621295641 /nfs/dbraw/zinc/29/56/41/621295641.db2.gz DDUOWQSSJJNWSN-BCUIYNNISA-N 1 0 292.379 2.959 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)CCCCO)c1ccccc1[N+](=O)[O-] ZINC000903244815 621295661 /nfs/dbraw/zinc/29/56/61/621295661.db2.gz DRQLKIMMHPIBLR-STQMWFEESA-N 1 0 280.368 2.839 20 5 CFBDRO Cc1nonc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245226 621296611 /nfs/dbraw/zinc/29/66/11/621296611.db2.gz KQMUHSQLYMLHMP-ZJUUUORDSA-N 1 0 290.323 2.741 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903435954 621374091 /nfs/dbraw/zinc/37/40/91/621374091.db2.gz GFXDDWUCZCNEMB-COLVAYQJSA-N 1 0 276.336 2.670 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903437999 621375325 /nfs/dbraw/zinc/37/53/25/621375325.db2.gz RORVTLISDZZLEX-NILFDRSVSA-N 1 0 290.363 2.979 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000903438649 621375442 /nfs/dbraw/zinc/37/54/42/621375442.db2.gz WJNUTJPKQZKIAW-CQDKDKBSSA-N 1 0 290.363 2.979 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)n1 ZINC000903445822 621383826 /nfs/dbraw/zinc/38/38/26/621383826.db2.gz WGIQAGFGBJQLJN-RRJXKJFGSA-N 1 0 284.747 2.617 20 5 CFBDRO [NH3+][C@H](CC(F)F)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000903882754 621463714 /nfs/dbraw/zinc/46/37/14/621463714.db2.gz BLWTWDSHJLKCGU-LLVKDONJSA-N 1 0 299.321 2.542 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000042819949 621505090 /nfs/dbraw/zinc/50/50/90/621505090.db2.gz ITQNYQOXASSCSL-ZDUSSCGKSA-N 1 0 264.325 2.562 20 5 CFBDRO CCCCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1Cl ZINC000905229749 621720536 /nfs/dbraw/zinc/72/05/36/621720536.db2.gz NDDXDIXTNJAYEA-UHFFFAOYSA-N 1 0 286.759 2.885 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000905242898 621733270 /nfs/dbraw/zinc/73/32/70/621733270.db2.gz FQVHRYCEGRTBRV-UMSPYCQHSA-N 1 0 288.269 2.818 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905474276 621773621 /nfs/dbraw/zinc/77/36/21/621773621.db2.gz PGLGKKCWXQZJMT-CEVLKMKRSA-N 1 0 290.363 2.510 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC3(CC3)C2)c1 ZINC000905663697 621811833 /nfs/dbraw/zinc/81/18/33/621811833.db2.gz OTTJGQMACNSTKC-UKRRQHHQSA-N 1 0 290.363 2.941 20 5 CFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1COC ZINC000819931402 622576832 /nfs/dbraw/zinc/57/68/32/622576832.db2.gz MUQKFGQKSNXEMH-UHFFFAOYSA-N 1 0 295.383 2.519 20 5 CFBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911906864 622580846 /nfs/dbraw/zinc/58/08/46/622580846.db2.gz LJSVNYUWZKOBAT-AWEZNQCLSA-N 1 0 279.340 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]([NH3+])CC(C)C ZINC000911907328 622581094 /nfs/dbraw/zinc/58/10/94/622581094.db2.gz XQTPGSNNMHHDCB-NSHDSACASA-N 1 0 279.340 2.605 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224116119 622997770 /nfs/dbraw/zinc/99/77/70/622997770.db2.gz NSWIAUXZTRSCDL-SCRDCRAPSA-N 1 0 277.368 2.728 20 5 CFBDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000168441427 623095030 /nfs/dbraw/zinc/09/50/30/623095030.db2.gz ZCKOLTLXNWXRNW-GXTWGEPZSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC23CC3)cc1Cl ZINC000822497805 623116199 /nfs/dbraw/zinc/11/61/99/623116199.db2.gz LUQZURNURPLGNA-NSHDSACASA-N 1 0 252.701 2.890 20 5 CFBDRO C[C@H]1CC[NH2+][C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000823069495 623227993 /nfs/dbraw/zinc/22/79/93/623227993.db2.gz ORAOOPXHCWPCQY-JGVFFNPUSA-N 1 0 294.336 2.767 20 5 CFBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069152 623228082 /nfs/dbraw/zinc/22/80/82/623228082.db2.gz HDGGMYBWAMFNAS-JGVFFNPUSA-N 1 0 294.336 2.562 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172156658 623265727 /nfs/dbraw/zinc/26/57/27/623265727.db2.gz RDSLBJCXQUYKKC-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230261393 623268745 /nfs/dbraw/zinc/26/87/45/623268745.db2.gz XDZICSVLFVCVLG-AWEZNQCLSA-N 1 0 282.315 2.735 20 5 CFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000172350390 623277727 /nfs/dbraw/zinc/27/77/27/623277727.db2.gz NBRKGMRXSPDCFK-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO Cc1c(-c2noc([C@@H]3CCCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823270146 623280955 /nfs/dbraw/zinc/28/09/55/623280955.db2.gz NTKBHEBEYJJTRJ-NSHDSACASA-N 1 0 288.307 2.768 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000172850568 623312417 /nfs/dbraw/zinc/31/24/17/623312417.db2.gz UPIXHYQWBYDWQR-RISCZKNCSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000063196401 623331297 /nfs/dbraw/zinc/33/12/97/623331297.db2.gz QPUCALPNZXJFLV-QMTHXVAHSA-N 1 0 297.786 2.950 20 5 CFBDRO CC(C)(CO)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824602735 623531118 /nfs/dbraw/zinc/53/11/18/623531118.db2.gz CXQZVIDXALNNMQ-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824702898 623549229 /nfs/dbraw/zinc/54/92/29/623549229.db2.gz SXTGAYUJBOGOFO-SECBINFHSA-N 1 0 286.759 2.887 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000252181579 623859307 /nfs/dbraw/zinc/85/93/07/623859307.db2.gz SYLXFDFNAHACKO-TYNCELHUSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1ccsc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000113711411 623904294 /nfs/dbraw/zinc/90/42/94/623904294.db2.gz XZMMVJMRZBNQEC-CYBMUJFWSA-N 1 0 292.360 2.788 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1Cl ZINC000827366276 623993666 /nfs/dbraw/zinc/99/36/66/623993666.db2.gz UGOSXSPGGWZLBH-STQMWFEESA-N 1 0 296.754 2.641 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OCC[C@H]1CCCC[N@@H+]1C ZINC000915667924 624093764 /nfs/dbraw/zinc/09/37/64/624093764.db2.gz YHXPWOFVIJRHOH-GFCCVEGCSA-N 1 0 294.351 2.857 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112017792 624275132 /nfs/dbraw/zinc/27/51/32/624275132.db2.gz WTSFUDJJSRLWPF-DGCLKSJQSA-N 1 0 284.743 2.905 20 5 CFBDRO C[N@@H+]1CCC[C@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000917419169 624339693 /nfs/dbraw/zinc/33/96/93/624339693.db2.gz KHWPFVDGEPYSBZ-HNNXBMFYSA-N 1 0 286.335 2.553 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468084 624584509 /nfs/dbraw/zinc/58/45/09/624584509.db2.gz YPIWZZFKMFLGPJ-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO C[N@H+](CCC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829937139 624585892 /nfs/dbraw/zinc/58/58/92/624585892.db2.gz HQIJXABMIURZLM-CQSZACIVSA-N 1 0 280.368 2.996 20 5 CFBDRO O=[N+]([O-])c1ccc(CSCC2CC[NH2+]CC2)cc1F ZINC000830489766 624761995 /nfs/dbraw/zinc/76/19/95/624761995.db2.gz LKGXWOBMOBVFSM-UHFFFAOYSA-N 1 0 284.356 2.967 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000830546486 624776987 /nfs/dbraw/zinc/77/69/87/624776987.db2.gz ZBYNGLWAQJXWMN-UHFFFAOYSA-N 1 0 299.758 2.917 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000068449967 624999336 /nfs/dbraw/zinc/99/93/36/624999336.db2.gz GPGCHCCDGXYSEO-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000831527670 625042191 /nfs/dbraw/zinc/04/21/91/625042191.db2.gz GRRHHZPBEXGWEA-IINYFYTJSA-N 1 0 282.315 2.591 20 5 CFBDRO CC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831533857 625044424 /nfs/dbraw/zinc/04/44/24/625044424.db2.gz LCHQRTRLPSOOSZ-CQSZACIVSA-N 1 0 276.336 2.753 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCF)C2)cc1 ZINC000831539881 625047997 /nfs/dbraw/zinc/04/79/97/625047997.db2.gz ZYJUJHXMLCTYQN-LBPRGKRZSA-N 1 0 252.289 2.744 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074755 625262425 /nfs/dbraw/zinc/26/24/25/625262425.db2.gz SRKHWNXMFKJVRW-GHMZBOCLSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc2c1OCC2 ZINC000921791729 626123609 /nfs/dbraw/zinc/12/36/09/626123609.db2.gz OVPQTYRBYLZGOZ-UHFFFAOYSA-N 1 0 298.342 2.862 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]23CCC[C@H]2OCC3)c(F)c1 ZINC000922693872 626340926 /nfs/dbraw/zinc/34/09/26/626340926.db2.gz HFFGIXCBAMFQRD-HUUCEWRRSA-N 1 0 294.326 2.783 20 5 CFBDRO CCC[C@@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922816520 626372306 /nfs/dbraw/zinc/37/23/06/626372306.db2.gz IBFSMBQVTLGDHT-CYBMUJFWSA-N 1 0 266.341 2.544 20 5 CFBDRO COc1ccc(C[N@H+](CC[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000929333124 626406619 /nfs/dbraw/zinc/40/66/19/626406619.db2.gz VWLMBBVHQJPWEO-LBPRGKRZSA-N 1 0 278.352 2.572 20 5 CFBDRO C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000839197223 626531985 /nfs/dbraw/zinc/53/19/85/626531985.db2.gz VOTXSUALPAZZAB-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000749321203 626540650 /nfs/dbraw/zinc/54/06/50/626540650.db2.gz GZTQXTKCTNASNT-VIFPVBQESA-N 1 0 285.294 2.769 20 5 CFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000760913081 626784016 /nfs/dbraw/zinc/78/40/16/626784016.db2.gz UASKOVOICOEXJG-AWEZNQCLSA-N 1 0 298.314 2.555 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289359 626821848 /nfs/dbraw/zinc/82/18/48/626821848.db2.gz GJODUITUYTXYBN-JTQLQIEISA-N 1 0 274.324 2.552 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526612 626842879 /nfs/dbraw/zinc/84/28/79/626842879.db2.gz PCDMNVNOBYYTKO-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO COC(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000851816420 634545259 /nfs/dbraw/zinc/54/52/59/634545259.db2.gz GLIKDAGJYUTLCK-UHFFFAOYSA-N 1 0 294.351 2.568 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000764767411 627092056 /nfs/dbraw/zinc/09/20/56/627092056.db2.gz IRXZBSXMGMNXPG-RISCZKNCSA-N 1 0 290.319 2.880 20 5 CFBDRO Cc1nn(C[NH+]2C3CCC2CC3)c2ccc([N+](=O)[O-])cc12 ZINC000764884091 627104361 /nfs/dbraw/zinc/10/43/61/627104361.db2.gz UUNYJRLBKMKLNM-UHFFFAOYSA-N 1 0 286.335 2.837 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026009 627113952 /nfs/dbraw/zinc/11/39/52/627113952.db2.gz BXDCIBWTTWGBPE-GHMZBOCLSA-N 1 0 288.351 2.941 20 5 CFBDRO Cc1nn(C[N@@H+]2CCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765039191 627115078 /nfs/dbraw/zinc/11/50/78/627115078.db2.gz RBYHKYJAVVGHRX-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765062307 627116918 /nfs/dbraw/zinc/11/69/18/627116918.db2.gz RDWQQCYBUFZVHH-JQWIXIFHSA-N 1 0 288.351 2.941 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765644633 627152368 /nfs/dbraw/zinc/15/23/68/627152368.db2.gz YKLHNNGMLLHXKZ-QWHCGFSZSA-N 1 0 277.368 2.822 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccon1)C1CC1 ZINC000766420662 627201908 /nfs/dbraw/zinc/20/19/08/627201908.db2.gz JLCBZHLZFYLOKN-CQSZACIVSA-N 1 0 287.319 2.694 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000851869555 634565350 /nfs/dbraw/zinc/56/53/50/634565350.db2.gz KJDLPJQTWAZIOY-UBSAEIQESA-N 1 0 272.348 2.999 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CC(C(F)F)C2)c1 ZINC000768705748 627365578 /nfs/dbraw/zinc/36/55/78/627365578.db2.gz AXDRNDLGRDFONK-UHFFFAOYSA-N 1 0 270.279 2.771 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCCCC2)c1 ZINC000770390585 627518075 /nfs/dbraw/zinc/51/80/75/627518075.db2.gz VLHAEMQUQPGNSA-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO C[C@@H]1[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000771459419 627605788 /nfs/dbraw/zinc/60/57/88/627605788.db2.gz JYIMWWCIQBNBIR-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774158224 627895256 /nfs/dbraw/zinc/89/52/56/627895256.db2.gz MWEZTNVUWFVLON-GOEBONIOSA-N 1 0 292.379 2.969 20 5 CFBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000774819962 627967129 /nfs/dbraw/zinc/96/71/29/627967129.db2.gz GJTIQPOHBLEEKA-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782466 628067449 /nfs/dbraw/zinc/06/74/49/628067449.db2.gz IDVBSGKKOHZIRO-GLQYFDAESA-N 1 0 278.352 2.749 20 5 CFBDRO CO[C@@H]1CC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000852018524 634628972 /nfs/dbraw/zinc/62/89/72/634628972.db2.gz NYGATSRJYOYWAK-DZGCQCFKSA-N 1 0 278.352 2.637 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274991 628124793 /nfs/dbraw/zinc/12/47/93/628124793.db2.gz FDUMUNAUFGRJQW-SMDDNHRTSA-N 1 0 266.341 2.605 20 5 CFBDRO CC(C)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279931 628126102 /nfs/dbraw/zinc/12/61/02/628126102.db2.gz VBULHOQUHDRFIP-HUUCEWRRSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578647 628160246 /nfs/dbraw/zinc/16/02/46/628160246.db2.gz HZTKLAWBKNGFBK-CQSZACIVSA-N 1 0 264.325 2.501 20 5 CFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579528 628160765 /nfs/dbraw/zinc/16/07/65/628160765.db2.gz MOAWOBQTATZVPG-FZMZJTMJSA-N 1 0 290.319 2.914 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000776579484 628160789 /nfs/dbraw/zinc/16/07/89/628160789.db2.gz LSAANNVIVOJOHC-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590123 628162023 /nfs/dbraw/zinc/16/20/23/628162023.db2.gz YJIDZABNYRCGRK-UXIGCNINSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776598574 628164218 /nfs/dbraw/zinc/16/42/18/628164218.db2.gz RNJVUYKIGQOCLL-XUJVJEKNSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000783638685 628729251 /nfs/dbraw/zinc/72/92/51/628729251.db2.gz ISTKIZFIEPMPPB-MWLCHTKSSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(C)c1 ZINC000783636503 628729262 /nfs/dbraw/zinc/72/92/62/628729262.db2.gz MQVXEJFZLPXXQO-VIFPVBQESA-N 1 0 294.742 2.833 20 5 CFBDRO C[C@@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783654745 628731869 /nfs/dbraw/zinc/73/18/69/628731869.db2.gz CJZJQWUIMIUTSX-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000784034288 628767045 /nfs/dbraw/zinc/76/70/45/628767045.db2.gz VHVMJQAYVKDLAL-LBPRGKRZSA-N 1 0 280.372 2.734 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000784352438 628808597 /nfs/dbraw/zinc/80/85/97/628808597.db2.gz NXIGTWVWAVMROG-WFASDCNBSA-N 1 0 292.379 2.996 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccco2)c(Cl)c1 ZINC000784496471 628821695 /nfs/dbraw/zinc/82/16/95/628821695.db2.gz VKQREIABOFOZQS-LBPRGKRZSA-N 1 0 296.710 2.664 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000786217071 628942878 /nfs/dbraw/zinc/94/28/78/628942878.db2.gz GWRSWMGZYZVTIN-CQSZACIVSA-N 1 0 278.352 2.893 20 5 CFBDRO CN1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579103 629083484 /nfs/dbraw/zinc/08/34/84/629083484.db2.gz XYBPOPDMYBIAMF-XHDPSFHLSA-N 1 0 289.379 2.611 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595045 629085439 /nfs/dbraw/zinc/08/54/39/629085439.db2.gz ZGENMPYAYKFZMB-RWSFTLGLSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000789450739 629157772 /nfs/dbraw/zinc/15/77/72/629157772.db2.gz PMEYRXDBMDBIAQ-LMOYCYGVSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000791052452 629283841 /nfs/dbraw/zinc/28/38/41/629283841.db2.gz OFJWCKJQQZQVBS-OLZOCXBDSA-N 1 0 298.408 2.693 20 5 CFBDRO CC1=C(C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000794890256 629699820 /nfs/dbraw/zinc/69/98/20/629699820.db2.gz PWGOTHHQBRDEJL-UHFFFAOYSA-N 1 0 286.335 2.944 20 5 CFBDRO Cc1ccoc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795169337 629741646 /nfs/dbraw/zinc/74/16/46/629741646.db2.gz NIDJCGQFBOGVBX-AWEZNQCLSA-N 1 0 290.319 2.662 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000796315710 629902252 /nfs/dbraw/zinc/90/22/52/629902252.db2.gz KUZZWJMKNIOJIR-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000852533698 634772932 /nfs/dbraw/zinc/77/29/32/634772932.db2.gz XJIAJNSVLYIIEM-IUODEOHRSA-N 1 0 296.342 2.700 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000798404515 630187495 /nfs/dbraw/zinc/18/74/95/630187495.db2.gz QQYJMNFCTRMGCY-UHFFFAOYSA-N 1 0 299.321 2.795 20 5 CFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852700685 634810513 /nfs/dbraw/zinc/81/05/13/634810513.db2.gz QKZWMJFXIPUUOA-UJMBOELQSA-N 1 0 290.363 2.891 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800869802 630413163 /nfs/dbraw/zinc/41/31/63/630413163.db2.gz DVHPMSQIJSAYSO-CQSZACIVSA-N 1 0 292.383 2.709 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801526332 630453479 /nfs/dbraw/zinc/45/34/79/630453479.db2.gz LAUCMWURRVVYGK-NWDGAFQWSA-N 1 0 295.358 2.648 20 5 CFBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801526314 630453600 /nfs/dbraw/zinc/45/36/00/630453600.db2.gz JZCVTULQARIXQI-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(O)CCCCC1 ZINC000801600273 630461973 /nfs/dbraw/zinc/46/19/73/630461973.db2.gz MZJQLQRKOKSEPA-UHFFFAOYSA-N 1 0 292.379 2.764 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[Si](C)(C)C ZINC000801601347 630462116 /nfs/dbraw/zinc/46/21/16/630462116.db2.gz FGZXTDYOVIKADK-UHFFFAOYSA-N 1 0 266.417 2.947 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC(F)F)cc1Cl ZINC000802657278 630536343 /nfs/dbraw/zinc/53/63/43/630536343.db2.gz XXYQQWAVKLKUNG-UHFFFAOYSA-N 1 0 294.685 2.967 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)nc1 ZINC000802658203 630536435 /nfs/dbraw/zinc/53/64/35/630536435.db2.gz OCJFBPQFKFXAKD-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804442693 630681912 /nfs/dbraw/zinc/68/19/12/630681912.db2.gz JTQKVDLCGKSBIX-VXGBXAGGSA-N 1 0 292.383 2.852 20 5 CFBDRO CCC[N@H+](CC)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804531773 630690261 /nfs/dbraw/zinc/69/02/61/630690261.db2.gz SISPKVMJKNPOGI-UHFFFAOYSA-N 1 0 296.327 2.647 20 5 CFBDRO [NH3+]CCN(C[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000809734891 631273629 /nfs/dbraw/zinc/27/36/29/631273629.db2.gz NFPZQMUSSVWRHG-ZDUSSCGKSA-N 1 0 275.352 2.716 20 5 CFBDRO CCc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734400 631273758 /nfs/dbraw/zinc/27/37/58/631273758.db2.gz COYUIWUWIALKPY-UHFFFAOYSA-N 1 0 289.335 2.716 20 5 CFBDRO CCCC[C@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841028290 631309220 /nfs/dbraw/zinc/30/92/20/631309220.db2.gz AKOHHAIDORKBCB-LLVKDONJSA-N 1 0 285.775 2.855 20 5 CFBDRO [NH3+]C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000841039459 631317921 /nfs/dbraw/zinc/31/79/21/631317921.db2.gz PWAOHGHLESVCII-UHFFFAOYSA-N 1 0 297.786 2.999 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000841077022 631331679 /nfs/dbraw/zinc/33/16/79/631331679.db2.gz WUWKDQZRQWIZJC-UHFFFAOYSA-N 1 0 299.330 2.689 20 5 CFBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841087336 631334967 /nfs/dbraw/zinc/33/49/67/631334967.db2.gz KKIJWBBUWFIYKE-GFCCVEGCSA-N 1 0 285.775 2.711 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000811505345 631573407 /nfs/dbraw/zinc/57/34/07/631573407.db2.gz BGUMUSZGWKQCPM-CYBMUJFWSA-N 1 0 292.335 2.660 20 5 CFBDRO C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C[NH3+] ZINC000843052525 631816215 /nfs/dbraw/zinc/81/62/15/631816215.db2.gz VMCDMCCCMPNBEQ-QMTHXVAHSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(C3CCC3)CC2)c1 ZINC000844416965 632201537 /nfs/dbraw/zinc/20/15/37/632201537.db2.gz GKVBWUQJEVBRNE-CQSZACIVSA-N 1 0 276.336 2.551 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601243 632296301 /nfs/dbraw/zinc/29/63/01/632296301.db2.gz QUEXWVWCYIGCDF-JVLSTEMRSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618327 632298360 /nfs/dbraw/zinc/29/83/60/632298360.db2.gz JIPVRBOQBURVBE-ZYHUDNBSSA-N 1 0 277.324 2.520 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625404 632300833 /nfs/dbraw/zinc/30/08/33/632300833.db2.gz CEXJUFVSVBTJOP-AUTRQRHGSA-N 1 0 281.381 2.579 20 5 CFBDRO [NH3+]CCC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844911911 632333534 /nfs/dbraw/zinc/33/35/34/632333534.db2.gz PTZZURVVOMRXOJ-UHFFFAOYSA-N 1 0 297.786 2.809 20 5 CFBDRO CC(C)C[N@H+](C)CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000845579720 632469679 /nfs/dbraw/zinc/46/96/79/632469679.db2.gz XGGAMUUXTOLYSF-UHFFFAOYSA-N 1 0 280.372 2.567 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845737468 632543207 /nfs/dbraw/zinc/54/32/07/632543207.db2.gz HXMXDDYQEIVARG-CYBMUJFWSA-N 1 0 292.335 2.624 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000817587400 632671211 /nfs/dbraw/zinc/67/12/11/632671211.db2.gz WFFHRXWJMQSNDK-CYZMBNFOSA-N 1 0 293.367 2.785 20 5 CFBDRO C[NH+](C)Cc1ccc(-c2cc(CO)cc([N+](=O)[O-])c2)cc1 ZINC000846780230 632796459 /nfs/dbraw/zinc/79/64/59/632796459.db2.gz RQRQEMNAZLIUEB-UHFFFAOYSA-N 1 0 286.331 2.816 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819041279 632939529 /nfs/dbraw/zinc/93/95/29/632939529.db2.gz CELIKPLJLZPJSX-WHOFXGATSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)=CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819259316 633043229 /nfs/dbraw/zinc/04/32/29/633043229.db2.gz GQYRJDDUVGGURP-CQSZACIVSA-N 1 0 264.325 2.574 20 5 CFBDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819282985 633053421 /nfs/dbraw/zinc/05/34/21/633053421.db2.gz BTSMZNWLBDZNDL-OSAQELSMSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000819381067 633140625 /nfs/dbraw/zinc/14/06/25/633140625.db2.gz UXMAYDUHBHFPMN-BPUTZDHNSA-N 1 0 290.363 2.654 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857080974 635926572 /nfs/dbraw/zinc/92/65/72/635926572.db2.gz MDLVCHSZUMFRDX-WPRPVWTQSA-N 1 0 285.294 2.873 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848524934 633276429 /nfs/dbraw/zinc/27/64/29/633276429.db2.gz IFRQWEFFZRRPNQ-SMDDNHRTSA-N 1 0 278.352 2.579 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848754846 633335866 /nfs/dbraw/zinc/33/58/66/633335866.db2.gz ZALHEOYNMCCWEU-BJHJDKERSA-N 1 0 291.351 2.550 20 5 CFBDRO Cc1c(CNC(=[NH2+])NCCC(C)C)cccc1[N+](=O)[O-] ZINC000849021802 633465543 /nfs/dbraw/zinc/46/55/43/633465543.db2.gz IYPLBHCPQPOQMV-UHFFFAOYSA-N 1 0 278.356 2.563 20 5 CFBDRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531949 634038526 /nfs/dbraw/zinc/03/85/26/634038526.db2.gz ORYXXRUPDKZBJW-VIFPVBQESA-N 1 0 269.320 2.966 20 5 CFBDRO CC(C)[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)[NH3+] ZINC000109504616 634069409 /nfs/dbraw/zinc/06/94/09/634069409.db2.gz KBUAPIVXPKGCKF-SKDRFNHKSA-N 1 0 290.323 2.732 20 5 CFBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000853117207 634911505 /nfs/dbraw/zinc/91/15/05/634911505.db2.gz QZNAKOCFAFKKTI-GJZGRUSLSA-N 1 0 278.352 2.652 20 5 CFBDRO CC(C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000853133291 634917008 /nfs/dbraw/zinc/91/70/08/634917008.db2.gz IFVCEEBJTBQOCM-OAHLLOKOSA-N 1 0 292.383 2.709 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853579866 635041608 /nfs/dbraw/zinc/04/16/08/635041608.db2.gz ZYZRLDJGZLZWMU-VXGBXAGGSA-N 1 0 286.335 2.552 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@H](C)[NH+](C)C ZINC000853798110 635109932 /nfs/dbraw/zinc/10/99/32/635109932.db2.gz ASXQAZTVTOGADL-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO CC[C@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000854139294 635227485 /nfs/dbraw/zinc/22/74/85/635227485.db2.gz OMRPCXQOUHYITA-NSHDSACASA-N 1 0 276.296 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cccs2)cc1 ZINC000158610187 650231804 /nfs/dbraw/zinc/23/18/04/650231804.db2.gz AWXDGLBYQMLIFE-AWEZNQCLSA-N 1 0 292.360 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000047888009 650247726 /nfs/dbraw/zinc/24/77/26/650247726.db2.gz OXHYCIPSZWAVPY-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159151751 650249511 /nfs/dbraw/zinc/24/95/11/650249511.db2.gz BAELINQBQPEWRZ-WCBMZHEXSA-N 1 0 254.717 2.994 20 5 CFBDRO COC(=O)CCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000859319042 636540674 /nfs/dbraw/zinc/54/06/74/636540674.db2.gz LHTKDHSXLGZGTM-NSHDSACASA-N 1 0 280.324 2.589 20 5 CFBDRO C[C@H](C[N@H+](C)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000863315376 637624284 /nfs/dbraw/zinc/62/42/84/637624284.db2.gz VDNAMXJMBLWURM-GFCCVEGCSA-N 1 0 280.372 2.897 20 5 CFBDRO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000863581853 637701305 /nfs/dbraw/zinc/70/13/05/637701305.db2.gz GZUZCFFFCGAESO-LQKXBSAESA-N 1 0 290.363 2.654 20 5 CFBDRO C[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]2C1 ZINC000863581684 637701426 /nfs/dbraw/zinc/70/14/26/637701426.db2.gz FHNUBDQNEXDFGN-CLWVCHIJSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCC23CC3)cc1 ZINC000863588361 637704745 /nfs/dbraw/zinc/70/47/45/637704745.db2.gz MGUPGYZPGIQQCZ-UKRRQHHQSA-N 1 0 290.363 2.798 20 5 CFBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000863654081 637727377 /nfs/dbraw/zinc/72/73/77/637727377.db2.gz UBPYCCFBDCMHGG-LLVKDONJSA-N 1 0 289.335 2.634 20 5 CFBDRO CC[NH2+][C@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000863659141 637730228 /nfs/dbraw/zinc/73/02/28/637730228.db2.gz CNMCQGXYWCUJTF-SECBINFHSA-N 1 0 276.296 2.624 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839625 638605110 /nfs/dbraw/zinc/60/51/10/638605110.db2.gz PJRMBNQISPPJHK-VIFPVBQESA-N 1 0 294.742 2.833 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000866054304 638715543 /nfs/dbraw/zinc/71/55/43/638715543.db2.gz ZWKKCGHMCDUAFX-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nccs1 ZINC000866236798 638776762 /nfs/dbraw/zinc/77/67/62/638776762.db2.gz CTXQFEZKWUELPF-SECBINFHSA-N 1 0 295.339 2.911 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866309128 638794335 /nfs/dbraw/zinc/79/43/35/638794335.db2.gz LVWXHXVNTMXGBB-YGRLFVJLSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000866309834 638794631 /nfs/dbraw/zinc/79/46/31/638794631.db2.gz BKABUIRPZRRHRB-SUNKGSAMSA-N 1 0 296.342 2.822 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866361622 638803906 /nfs/dbraw/zinc/80/39/06/638803906.db2.gz QVRFXVPEMBYPJF-GXFFZTMASA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000866365609 638805554 /nfs/dbraw/zinc/80/55/54/638805554.db2.gz YWIMSVBJJZWTCP-LLVKDONJSA-N 1 0 298.358 2.663 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374000 638808188 /nfs/dbraw/zinc/80/81/88/638808188.db2.gz ZDXVEWYPGQUXDA-NEPJUHHUSA-N 1 0 298.358 2.927 20 5 CFBDRO COCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866384602 638810993 /nfs/dbraw/zinc/81/09/93/638810993.db2.gz MVEMWQNLDHLZLC-LLVKDONJSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1COC(C)(C)C1 ZINC000866386146 638811544 /nfs/dbraw/zinc/81/15/44/638811544.db2.gz XTWBFQGZFJVGKK-ZWNOBZJWSA-N 1 0 296.342 2.822 20 5 CFBDRO Cc1nn(C[NH+]2CCC(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121055152 638819592 /nfs/dbraw/zinc/81/95/92/638819592.db2.gz NCLJNVRHSFEIEQ-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC000866447435 638823761 /nfs/dbraw/zinc/82/37/61/638823761.db2.gz JBXOSFKLATZEEI-FPWZVUCASA-N 1 0 288.347 2.669 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000866614031 638854788 /nfs/dbraw/zinc/85/47/88/638854788.db2.gz WVXCJQPYMSHTLM-MNOVXSKESA-N 1 0 274.324 2.740 20 5 CFBDRO CC[C@@H](C[NH+](C)C)OC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000870554072 639718925 /nfs/dbraw/zinc/71/89/25/639718925.db2.gz YMYKTCHRVKHNSP-RISCZKNCSA-N 1 0 294.351 2.582 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1[nH+]ccn1C ZINC000871864105 641488294 /nfs/dbraw/zinc/48/82/94/641488294.db2.gz SDSXYWJDKGITNR-UHFFFAOYSA-N 1 0 260.297 2.557 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000871933789 641517018 /nfs/dbraw/zinc/51/70/18/641517018.db2.gz YRMFAEBSZPDMIJ-DGCLKSJQSA-N 1 0 292.335 2.589 20 5 CFBDRO C[C@H](NCC(C)(C)C[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016703 641548125 /nfs/dbraw/zinc/54/81/25/641548125.db2.gz NKYSGYIWHKFMPD-NSHDSACASA-N 1 0 297.374 2.972 20 5 CFBDRO C[C@@H](NCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020421 641550490 /nfs/dbraw/zinc/55/04/90/641550490.db2.gz HOCAKEAGECXOLA-GFCCVEGCSA-N 1 0 295.358 2.870 20 5 CFBDRO C[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026041 641557800 /nfs/dbraw/zinc/55/78/00/641557800.db2.gz XXZQGDAPCSBOJN-QMTHXVAHSA-N 1 0 295.358 2.725 20 5 CFBDRO C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026039 641558113 /nfs/dbraw/zinc/55/81/13/641558113.db2.gz XXZQGDAPCSBOJN-HZMBPMFUSA-N 1 0 295.358 2.725 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029221 641559042 /nfs/dbraw/zinc/55/90/42/641559042.db2.gz PDPGMCKLDNEHPW-QWRGUYRKSA-N 1 0 284.331 2.792 20 5 CFBDRO CC[N@H+](CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872031690 641562079 /nfs/dbraw/zinc/56/20/79/641562079.db2.gz SVTXZGQCEZMICV-NSHDSACASA-N 1 0 295.358 2.869 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034202 641564264 /nfs/dbraw/zinc/56/42/64/641564264.db2.gz IOSVYQAMKMUZHZ-IINYFYTJSA-N 1 0 282.315 2.811 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCC1 ZINC000872033257 641564319 /nfs/dbraw/zinc/56/43/19/641564319.db2.gz AQTHKKGUYAQBHN-JTQLQIEISA-N 1 0 296.392 2.882 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](C)O ZINC000872033502 641564914 /nfs/dbraw/zinc/56/49/14/641564914.db2.gz DCQQQPLESLBSGQ-NXEZZACHSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034729 641565407 /nfs/dbraw/zinc/56/54/07/641565407.db2.gz IPZBQVWOWRUKQV-JTQLQIEISA-N 1 0 282.315 2.690 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034731 641566339 /nfs/dbraw/zinc/56/63/39/641566339.db2.gz IPZBQVWOWRUKQV-SNVBAGLBSA-N 1 0 282.315 2.690 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036645 641569919 /nfs/dbraw/zinc/56/99/19/641569919.db2.gz UHIOQNYFTSBJLM-NXEZZACHSA-N 1 0 270.304 2.546 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037462 641571181 /nfs/dbraw/zinc/57/11/81/641571181.db2.gz BVARWFSEGYSYTE-CMPLNLGQSA-N 1 0 284.331 2.792 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038670 641571600 /nfs/dbraw/zinc/57/16/00/641571600.db2.gz OQVQIAYHISDNLN-ZJUUUORDSA-N 1 0 270.304 2.546 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040751 641574161 /nfs/dbraw/zinc/57/41/61/641574161.db2.gz BTQWEKHFECJXSP-QWRGUYRKSA-N 1 0 284.331 2.793 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCO ZINC000872039591 641574349 /nfs/dbraw/zinc/57/43/49/641574349.db2.gz TZYFUCOQPALZEX-NXEZZACHSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040617 641574503 /nfs/dbraw/zinc/57/45/03/641574503.db2.gz ZISPHGRDWJTZKP-RYUDHWBXSA-N 1 0 295.358 2.869 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043544 641578081 /nfs/dbraw/zinc/57/80/81/641578081.db2.gz JFHQUHIBPSORQR-UWVGGRQHSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061957 641594658 /nfs/dbraw/zinc/59/46/58/641594658.db2.gz HYDKEWHSIFILIA-SNVBAGLBSA-N 1 0 298.314 2.538 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063665 641595251 /nfs/dbraw/zinc/59/52/51/641595251.db2.gz RLCKGALTVUKZPI-YIZUVKHSSA-N 1 0 282.315 2.712 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872064147 641596675 /nfs/dbraw/zinc/59/66/75/641596675.db2.gz CKDRGBFSNHUEIC-LOWVWBTDSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872076960 641609031 /nfs/dbraw/zinc/60/90/31/641609031.db2.gz WMWPHXREBNTZJK-GYSYKLTISA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085469 641618887 /nfs/dbraw/zinc/61/88/87/641618887.db2.gz NURQBGILBMHWNQ-PWSUYJOCSA-N 1 0 296.342 2.793 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)CC(C)C ZINC000873029449 641989012 /nfs/dbraw/zinc/98/90/12/641989012.db2.gz HPLBFOSNVQNGRB-CYBMUJFWSA-N 1 0 280.368 2.708 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029533 641989022 /nfs/dbraw/zinc/98/90/22/641989022.db2.gz JUEABOHPZQOXLY-CQSZACIVSA-N 1 0 291.395 2.725 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000873046012 641995055 /nfs/dbraw/zinc/99/50/55/641995055.db2.gz NITVPACRMGGPPS-LBPRGKRZSA-N 1 0 291.395 2.784 20 5 CFBDRO Cc1c(C[NH2+]CCc2cscn2)cccc1[N+](=O)[O-] ZINC000873054093 641997486 /nfs/dbraw/zinc/99/74/86/641997486.db2.gz LJAZDRCAWQGDHI-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)C[C@H](C)O ZINC000873058505 641998222 /nfs/dbraw/zinc/99/82/22/641998222.db2.gz PKTNTZWBVCSTKJ-JQWIXIFHSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1c(C[NH2+]CC2([C@H](O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873100665 642014331 /nfs/dbraw/zinc/01/43/31/642014331.db2.gz AUZFPVHDXRJHHV-OAHLLOKOSA-N 1 0 292.379 2.790 20 5 CFBDRO Cc1c(C[NH2+]CCC2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000873134256 642024781 /nfs/dbraw/zinc/02/47/81/642024781.db2.gz ZGLYDINZUYKMLU-UHFFFAOYSA-N 1 0 278.352 2.546 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873135813 642025792 /nfs/dbraw/zinc/02/57/92/642025792.db2.gz NYCSVSMABAMEMC-JOCQHMNTSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000873138130 642027378 /nfs/dbraw/zinc/02/73/78/642027378.db2.gz NMZPGWHYNMJBBA-LSDHHAIUSA-N 1 0 290.363 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000873138128 642027716 /nfs/dbraw/zinc/02/77/16/642027716.db2.gz NMZPGWHYNMJBBA-GJZGRUSLSA-N 1 0 290.363 2.605 20 5 CFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124565479 642251659 /nfs/dbraw/zinc/25/16/59/642251659.db2.gz FATHWDXQEJXDQD-CABZTGNLSA-N 1 0 283.759 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000125188780 642535230 /nfs/dbraw/zinc/53/52/30/642535230.db2.gz KNGWMKDLOQQTPF-RISCZKNCSA-N 1 0 290.319 2.880 20 5 CFBDRO CC(C)CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000876810846 643020243 /nfs/dbraw/zinc/02/02/43/643020243.db2.gz ZUSFNKSCURFJAK-UHFFFAOYSA-N 1 0 280.372 2.586 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3=CCCCC3)C2)c1 ZINC000876904802 643058777 /nfs/dbraw/zinc/05/87/77/643058777.db2.gz KZGYGHGPWOLGOQ-UHFFFAOYSA-N 1 0 290.367 2.975 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C/C=C/c3ccccc3)C2)c1 ZINC000877036806 643114669 /nfs/dbraw/zinc/11/46/69/643114669.db2.gz VUAAOEAZYNZKAJ-QPJJXVBHSA-N 1 0 298.346 2.798 20 5 CFBDRO CC[C@]1(O)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877441059 643273833 /nfs/dbraw/zinc/27/38/33/643273833.db2.gz UYUULCGTZIOTBY-HNNXBMFYSA-N 1 0 278.352 2.558 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000877554647 643355953 /nfs/dbraw/zinc/35/59/53/643355953.db2.gz LAUDYLPYJARGRT-CQSZACIVSA-N 1 0 292.379 2.806 20 5 CFBDRO Cc1c(C[NH+]2CC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000877581257 643377846 /nfs/dbraw/zinc/37/78/46/643377846.db2.gz SNKLYKIDRPNNQC-UHFFFAOYSA-N 1 0 276.336 2.516 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccnn1C ZINC000877762830 643543397 /nfs/dbraw/zinc/54/33/97/643543397.db2.gz KJCAPKNCZUUBBU-VIFPVBQESA-N 1 0 294.742 2.833 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877777725 643554472 /nfs/dbraw/zinc/55/44/72/643554472.db2.gz CSGNIGHBAREPHO-GXSJLCMTSA-N 1 0 286.759 2.887 20 5 CFBDRO CCC[N@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878001914 643688772 /nfs/dbraw/zinc/68/87/72/643688772.db2.gz HBSYLKNHVACHHH-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO Cc1ccc(C[NH+]2CCC3(CCOC3)CC2)cc1[N+](=O)[O-] ZINC000878316818 643836803 /nfs/dbraw/zinc/83/68/03/643836803.db2.gz KYAFEBWXOIJGKY-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000878325898 643840842 /nfs/dbraw/zinc/84/08/42/643840842.db2.gz KKKIMJDMYTUEPN-AKAXFMLLSA-N 1 0 290.363 2.984 20 5 CFBDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319534 644224126 /nfs/dbraw/zinc/22/41/26/644224126.db2.gz WVKOSPILLGKECX-SMDDNHRTSA-N 1 0 264.325 2.594 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000879322526 644228294 /nfs/dbraw/zinc/22/82/94/644228294.db2.gz WLFSFIMLBBNETE-YPMHNXCESA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879619659 644349693 /nfs/dbraw/zinc/34/96/93/644349693.db2.gz YYDCCYIHSUMWDW-VXGBXAGGSA-N 1 0 278.352 2.749 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880231979 644591762 /nfs/dbraw/zinc/59/17/62/644591762.db2.gz CKHNWOKTHDNACI-GFCCVEGCSA-N 1 0 282.315 2.785 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000880233990 644594872 /nfs/dbraw/zinc/59/48/72/644594872.db2.gz GJMMMAZNVSKDDU-GFCCVEGCSA-N 1 0 252.289 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(F)CC2)cc1 ZINC000880239326 644601577 /nfs/dbraw/zinc/60/15/77/644601577.db2.gz ZHGYKXSRXCBBTN-UHFFFAOYSA-N 1 0 282.315 2.798 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880291165 644630150 /nfs/dbraw/zinc/63/01/50/644630150.db2.gz CIJTUSNROXOOAN-MNOVXSKESA-N 1 0 252.289 2.947 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1F ZINC000880507109 644741597 /nfs/dbraw/zinc/74/15/97/644741597.db2.gz ULCCATFCNBTZQY-CABCVRRESA-N 1 0 294.326 2.925 20 5 CFBDRO CC(=O)c1c(N[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016736 645177263 /nfs/dbraw/zinc/17/72/63/645177263.db2.gz AMYSMECTDMMHMV-PWSUYJOCSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@@H](CCNc1ccnc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000882179400 645233226 /nfs/dbraw/zinc/23/32/26/645233226.db2.gz MUBFYCWTLVOJRP-NSHDSACASA-N 1 0 296.346 2.805 20 5 CFBDRO CCC[C@@H]([NH2+]CC[S@@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130890965 645588710 /nfs/dbraw/zinc/58/87/10/645588710.db2.gz CQJSVOSIPRJYTE-JLTOFOAXSA-N 1 0 298.408 2.794 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000252922225 651029795 /nfs/dbraw/zinc/02/97/95/651029795.db2.gz IECRYQQWVWBCPA-TZMCWYRMSA-N 1 0 298.770 2.984 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000883317608 645736081 /nfs/dbraw/zinc/73/60/81/645736081.db2.gz OMSYCHBRPGZNFI-ZQMOLZAKSA-N 1 0 276.336 2.623 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000883319228 645737187 /nfs/dbraw/zinc/73/71/87/645737187.db2.gz UCCQUMYNBNPLJP-GARJFASQSA-N 1 0 282.315 2.810 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000883318764 645737615 /nfs/dbraw/zinc/73/76/15/645737615.db2.gz BHPLWMKBXONIDW-SDDRHHMPSA-N 1 0 294.351 2.679 20 5 CFBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000883353797 645757225 /nfs/dbraw/zinc/75/72/25/645757225.db2.gz DPTMYSOZGAEEBE-OLZOCXBDSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1ccc(CN2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000883460236 645843436 /nfs/dbraw/zinc/84/34/36/645843436.db2.gz SETWXFLBBGEJNN-UHFFFAOYSA-N 1 0 289.379 2.621 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C[NH+](C)C ZINC000884514107 646412729 /nfs/dbraw/zinc/41/27/29/646412729.db2.gz ZRNMAEAFVNRNCA-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO COC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000135232240 646495071 /nfs/dbraw/zinc/49/50/71/646495071.db2.gz PXYAQWCTDPQUPR-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)C ZINC000885969501 646789118 /nfs/dbraw/zinc/78/91/18/646789118.db2.gz UKTNJBQEZQCTPY-UHFFFAOYSA-N 1 0 251.330 2.858 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000886005475 646810109 /nfs/dbraw/zinc/81/01/09/646810109.db2.gz BRYPMIJCJUCQER-LLVKDONJSA-N 1 0 273.292 2.572 20 5 CFBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1c1ccccn1 ZINC000886035773 646832939 /nfs/dbraw/zinc/83/29/39/646832939.db2.gz QNVYIWYPDNOSNG-CQSZACIVSA-N 1 0 284.319 2.722 20 5 CFBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886073369 646856120 /nfs/dbraw/zinc/85/61/20/646856120.db2.gz UEKZTLZQDLDVSX-LLVKDONJSA-N 1 0 283.397 2.953 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886114321 646877997 /nfs/dbraw/zinc/87/79/97/646877997.db2.gz MQCZPMIVZITJOW-SLEUVZQESA-N 1 0 276.336 2.672 20 5 CFBDRO CSC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886215109 646923711 /nfs/dbraw/zinc/92/37/11/646923711.db2.gz DKSBWVTUDLGKLN-NSHDSACASA-N 1 0 281.381 2.565 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000886268899 646942233 /nfs/dbraw/zinc/94/22/33/646942233.db2.gz FHYBPKPQAQMDSJ-LBPRGKRZSA-N 1 0 283.278 2.611 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c(F)c1 ZINC000886288701 646955088 /nfs/dbraw/zinc/95/50/88/646955088.db2.gz GDNBAIDLAPIDFJ-CYBMUJFWSA-N 1 0 294.326 2.783 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815443 647149235 /nfs/dbraw/zinc/14/92/35/647149235.db2.gz DQKXGEYLQXCJBV-IUODEOHRSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cs1 ZINC000886832046 647155976 /nfs/dbraw/zinc/15/59/76/647155976.db2.gz ABCLUBPUNFWRQY-VXGBXAGGSA-N 1 0 282.365 2.657 20 5 CFBDRO CCOc1cc(C[N@H+](C)CCCF)ccc1[N+](=O)[O-] ZINC000887141153 647228721 /nfs/dbraw/zinc/22/87/21/647228721.db2.gz HUHIPLBHJYPNOV-UHFFFAOYSA-N 1 0 270.304 2.785 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000924093280 647921670 /nfs/dbraw/zinc/92/16/70/647921670.db2.gz QBDRBAZLLDWFHH-VIFPVBQESA-N 1 0 292.295 2.783 20 5 CFBDRO CC[C@H]1COC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468082 648177221 /nfs/dbraw/zinc/17/72/21/648177221.db2.gz YPIWZZFKMFLGPJ-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000925490709 648182424 /nfs/dbraw/zinc/18/24/24/648182424.db2.gz CJEBJHMMQDBGGX-FZMZJTMJSA-N 1 0 294.351 2.705 20 5 CFBDRO CC1(C)[NH2+]CC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925628818 648248888 /nfs/dbraw/zinc/24/88/88/648248888.db2.gz JQCDZMGCHVTKNO-CYBMUJFWSA-N 1 0 297.786 2.521 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000926797617 648621163 /nfs/dbraw/zinc/62/11/63/648621163.db2.gz VEVHZLFWFDRGIY-YGONEPDPSA-N 1 0 290.363 2.950 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000927019243 648685358 /nfs/dbraw/zinc/68/53/58/648685358.db2.gz DKWYTQNNRASPBU-SMDDNHRTSA-N 1 0 298.358 2.806 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000927152295 648729316 /nfs/dbraw/zinc/72/93/16/648729316.db2.gz LLCSLZBSKYHIMS-WHOFXGATSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035254664 649056845 /nfs/dbraw/zinc/05/68/45/649056845.db2.gz CIEBPILWLJBNGX-LLVKDONJSA-N 1 0 260.293 2.909 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000929891854 649145259 /nfs/dbraw/zinc/14/52/59/649145259.db2.gz SZYRKHNPIHILOE-UHFFFAOYSA-N 1 0 299.168 2.695 20 5 CFBDRO Cc1cccc([C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C)c1 ZINC000930228841 649210319 /nfs/dbraw/zinc/21/03/19/649210319.db2.gz LDGJGLTURDDTID-CYBMUJFWSA-N 1 0 250.342 2.949 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000930231760 649210604 /nfs/dbraw/zinc/21/06/04/649210604.db2.gz UEGHAASLBAEPJK-UHFFFAOYSA-N 1 0 268.744 2.976 20 5 CFBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC000930233676 649211218 /nfs/dbraw/zinc/21/12/18/649211218.db2.gz UBIPBZYBLATVHR-ZDUSSCGKSA-N 1 0 266.341 2.649 20 5 CFBDRO O=[N+]([O-])CCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000930825892 649332811 /nfs/dbraw/zinc/33/28/11/649332811.db2.gz ONYXUBQMJGRBQZ-AWEZNQCLSA-N 1 0 258.321 2.656 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000931350779 649413012 /nfs/dbraw/zinc/41/30/12/649413012.db2.gz XYVLDTVJBVCMQP-UHFFFAOYSA-N 1 0 283.397 2.572 20 5 CFBDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931555990 649453802 /nfs/dbraw/zinc/45/38/02/649453802.db2.gz YXAXFJGDGLRAPR-GFCCVEGCSA-N 1 0 266.316 2.670 20 5 CFBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000931693286 649473120 /nfs/dbraw/zinc/47/31/20/649473120.db2.gz CABXUTAJWALFQB-UHFFFAOYSA-N 1 0 276.258 2.807 20 5 CFBDRO CCOc1cc(C[NH2+][C@H](C)C(C)(C)OC)ccc1[N+](=O)[O-] ZINC000932372506 649587243 /nfs/dbraw/zinc/58/72/43/649587243.db2.gz MYEYVIVAZCUVDQ-LLVKDONJSA-N 1 0 296.367 2.897 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1F ZINC000933389473 649691121 /nfs/dbraw/zinc/69/11/21/649691121.db2.gz RLLWDPNRKZSODD-XHDPSFHLSA-N 1 0 292.310 2.535 20 5 CFBDRO C[C@@H]1CSCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934298030 649769674 /nfs/dbraw/zinc/76/96/74/649769674.db2.gz RTTJIVGGZFBPIG-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@]1(C2CC2)COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000934480083 649793270 /nfs/dbraw/zinc/79/32/70/649793270.db2.gz BFSXDJGLRGQYQM-MRXNPFEDSA-N 1 0 290.363 2.638 20 5 CFBDRO Cc1cc(C)cc(C2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC000934798506 649832914 /nfs/dbraw/zinc/83/29/14/649832914.db2.gz AENSBVGXOYOFKA-UHFFFAOYSA-N 1 0 262.353 2.760 20 5 CFBDRO Cc1ccc2[nH+]c(N)n(-c3ccc(F)cc3[N+](=O)[O-])c2c1 ZINC001210950567 770404399 /nfs/dbraw/zinc/40/43/99/770404399.db2.gz YIMQMKFAHRQRGW-UHFFFAOYSA-N 1 0 286.266 2.963 20 5 CFBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000723949040 770718068 /nfs/dbraw/zinc/71/80/68/770718068.db2.gz DFXGZJBOALXVRO-NEPJUHHUSA-N 1 0 284.381 2.951 20 5 CFBDRO COC(C)(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000404375204 773226445 /nfs/dbraw/zinc/22/64/45/773226445.db2.gz VVGFCJSEQLAFKT-UHFFFAOYSA-N 1 0 270.304 2.591 20 5 CFBDRO COc1ccccc1[C@H](C)OCCC[N+](C)(C)C ZINC001224619090 775227870 /nfs/dbraw/zinc/22/78/70/775227870.db2.gz KIYUAKLXPRTSIL-ZDUSSCGKSA-N 1 0 252.378 2.869 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217975565 775413695 /nfs/dbraw/zinc/41/36/95/775413695.db2.gz IVHHBAQGMLAYAU-JQWIXIFHSA-N 1 0 288.706 2.717 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC[C@H]2F)cc1F ZINC001217981791 775418024 /nfs/dbraw/zinc/41/80/24/775418024.db2.gz QLZPUBMNOHZZCG-RNCFNFMXSA-N 1 0 286.278 2.511 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c(Cl)nccc1[N+](=O)[O-] ZINC001225430490 775454046 /nfs/dbraw/zinc/45/40/46/775454046.db2.gz CJCKVQRURUYTGC-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CCN1CCC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432794 775454432 /nfs/dbraw/zinc/45/44/32/775454432.db2.gz GFOBHNSWUHEPLI-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO COc1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001225440876 775458816 /nfs/dbraw/zinc/45/88/16/775458816.db2.gz JCGKGCQEHGYWEM-CYBMUJFWSA-N 1 0 294.351 2.855 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC001225575792 775508365 /nfs/dbraw/zinc/50/83/65/775508365.db2.gz WVUJVFJBFCIHEW-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795773 775595995 /nfs/dbraw/zinc/59/59/95/775595995.db2.gz HRGQAPRXXWLRDU-LLVKDONJSA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@H]1[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218380779 775599674 /nfs/dbraw/zinc/59/96/74/775599674.db2.gz BCDGLRRIOGNMOL-FWOIEVBISA-N 1 0 277.107 2.641 20 5 CFBDRO C[C@H]1[NH2+]C[C@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218390394 775620616 /nfs/dbraw/zinc/62/06/16/775620616.db2.gz XQKUIYCFEQUVOP-GPXNAGAYSA-N 1 0 277.107 2.641 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225913847 775632344 /nfs/dbraw/zinc/63/23/44/775632344.db2.gz WWALQLSMBGQTTP-JTQLQIEISA-N 1 0 268.288 2.597 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225914950 775634110 /nfs/dbraw/zinc/63/41/10/775634110.db2.gz DAUFNRQUQBXIBY-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218401328 775635173 /nfs/dbraw/zinc/63/51/73/775635173.db2.gz GNMVNKQQEXDXRZ-YPMHNXCESA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218407546 775637944 /nfs/dbraw/zinc/63/79/44/775637944.db2.gz YGKCMYLXSMXPDM-LBPRGKRZSA-N 1 0 282.727 2.769 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225942283 775642169 /nfs/dbraw/zinc/64/21/69/775642169.db2.gz OMLAXLNIXSJZEN-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225941771 775642449 /nfs/dbraw/zinc/64/24/49/775642449.db2.gz KIOOPEAACOORJL-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225959144 775648641 /nfs/dbraw/zinc/64/86/41/775648641.db2.gz KOIGSUAKFKBRGN-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(F)c(F)c1OC1CC[NH+](C2CC2)CC1 ZINC001225964391 775650754 /nfs/dbraw/zinc/65/07/54/775650754.db2.gz ZJFXHCLQHWUDTR-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[NH2+]C[C@H]1C ZINC001218418483 775650706 /nfs/dbraw/zinc/65/07/06/775650706.db2.gz ZUPOVSCCCVLVLD-DGCLKSJQSA-N 1 0 264.325 2.588 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226190002 775731242 /nfs/dbraw/zinc/73/12/42/775731242.db2.gz HXJBGRNSCZNBGC-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001226191478 775732730 /nfs/dbraw/zinc/73/27/30/775732730.db2.gz NLVJKNXENYIILG-ILWJIGKKSA-N 1 0 298.289 2.877 20 5 CFBDRO O=[N+]([O-])c1cc(OC2CC[NH+](C3CC3)CC2)c(F)cc1F ZINC001226192550 775733194 /nfs/dbraw/zinc/73/31/94/775733194.db2.gz WGOQPXMSSVLVGJ-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364844 775790914 /nfs/dbraw/zinc/79/09/14/775790914.db2.gz UFPQCJGQEGRHFL-VIFPVBQESA-N 1 0 285.731 2.505 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(Cl)CC1 ZINC000695649599 775909672 /nfs/dbraw/zinc/90/96/72/775909672.db2.gz RWRIDPQMVABJOB-SECBINFHSA-N 1 0 254.717 2.844 20 5 CFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])nc1)C2 ZINC001226712262 775933999 /nfs/dbraw/zinc/93/39/99/775933999.db2.gz JUYJPZRGAKLZGK-IMRBUKKESA-N 1 0 291.351 2.772 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(OC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC001226743633 775944190 /nfs/dbraw/zinc/94/41/90/775944190.db2.gz FEOYCEPEHRTHNS-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1OC1CC[NH+](C(C)C)CC1 ZINC001226762107 775953125 /nfs/dbraw/zinc/95/31/25/775953125.db2.gz QMLRXYPLLVPCNI-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1ccc(O[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226951143 776031360 /nfs/dbraw/zinc/03/13/60/776031360.db2.gz UAQMZEABUOKNKT-CYBMUJFWSA-N 1 0 264.325 2.765 20 5 CFBDRO CCCc1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227148946 776115821 /nfs/dbraw/zinc/11/58/21/776115821.db2.gz BKEKQCKNAXENAG-LBPRGKRZSA-O 1 0 252.378 2.818 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1OC ZINC001227185020 776127946 /nfs/dbraw/zinc/12/79/46/776127946.db2.gz NFCKYOWNEKPXTK-LLVKDONJSA-N 1 0 282.340 2.713 20 5 CFBDRO Cc1cc2nc(O[C@H](C)C[N+](C)(C)C)[nH]c2cc1C ZINC001227237411 776150571 /nfs/dbraw/zinc/15/05/71/776150571.db2.gz CNRKHSDLAYAXSB-GFCCVEGCSA-N 1 0 262.377 2.653 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc(F)cc2s1 ZINC001227398822 776191922 /nfs/dbraw/zinc/19/19/22/776191922.db2.gz HVFWHXUOYUVFGD-VIFPVBQESA-N 1 0 269.365 2.909 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC001227480435 776212377 /nfs/dbraw/zinc/21/23/77/776212377.db2.gz NJVFRWNHYIEEKQ-NSHDSACASA-N 1 0 252.314 2.704 20 5 CFBDRO CCOCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227993300 776353535 /nfs/dbraw/zinc/35/35/35/776353535.db2.gz ZJIHTAFXUOHBCF-ZDUSSCGKSA-N 1 0 252.378 2.697 20 5 CFBDRO CCCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001228005568 776359650 /nfs/dbraw/zinc/35/96/50/776359650.db2.gz PKIVNCPICCCOBE-CYBMUJFWSA-N 1 0 280.388 2.727 20 5 CFBDRO Cc1cc(C)c(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001228238894 776431933 /nfs/dbraw/zinc/43/19/33/776431933.db2.gz YJUDEWBSCIVENP-LBPRGKRZSA-N 1 0 267.349 2.685 20 5 CFBDRO CC(C)Oc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001228585244 776530419 /nfs/dbraw/zinc/53/04/19/776530419.db2.gz FOBRANIISGRWNQ-ZDUSSCGKSA-N 1 0 252.378 2.947 20 5 CFBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC[NH+]1CCSCC1 ZINC001167838912 776591694 /nfs/dbraw/zinc/59/16/94/776591694.db2.gz JDTUJLSHHKJYRL-UHFFFAOYSA-N 1 0 299.371 2.503 20 5 CFBDRO CCC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228878124 776644022 /nfs/dbraw/zinc/64/40/22/776644022.db2.gz WKJRGXYLOVXCBC-LBPRGKRZSA-N 1 0 280.388 2.761 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229113291 776720907 /nfs/dbraw/zinc/72/09/07/776720907.db2.gz ACDFVOBEDJVSTB-SLZMIMFISA-N 1 0 276.336 2.797 20 5 CFBDRO CCC(=O)c1ccc(OC)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229447790 776815497 /nfs/dbraw/zinc/81/54/97/776815497.db2.gz UYVPNGYOTLOVLU-LBPRGKRZSA-N 1 0 280.388 2.761 20 5 CFBDRO CCCC(=O)Nc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001229484314 776825180 /nfs/dbraw/zinc/82/51/80/776825180.db2.gz JRKAEDRKBIVWCB-ZDUSSCGKSA-O 1 0 279.404 2.899 20 5 CFBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001229750900 776887454 /nfs/dbraw/zinc/88/74/54/776887454.db2.gz KJGWAZRLTLPMSC-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cccc(Cl)c21 ZINC001230755972 777057544 /nfs/dbraw/zinc/05/75/44/777057544.db2.gz WURLKSJVQSHGCJ-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC000710811832 777119528 /nfs/dbraw/zinc/11/95/28/777119528.db2.gz PGTRJSRCFKXWLJ-RYUDHWBXSA-N 1 0 264.325 2.731 20 5 CFBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)c(C)cc1C(C)=O ZINC001231131407 777151556 /nfs/dbraw/zinc/15/15/56/777151556.db2.gz ZNXYWQWHTDTHBL-LBPRGKRZSA-N 1 0 280.388 2.680 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231159221 777160351 /nfs/dbraw/zinc/16/03/51/777160351.db2.gz UAFZNHCTBVVWCD-GFCCVEGCSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1ccc2nc3ccc(=O)cc-3oc2c1 ZINC001231333056 777193561 /nfs/dbraw/zinc/19/35/61/777193561.db2.gz VQSMFDWRSYWIEO-NSHDSACASA-N 1 0 298.342 2.622 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785383 777276854 /nfs/dbraw/zinc/27/68/54/777276854.db2.gz AXJPEKQYLAQYJH-SECBINFHSA-N 1 0 270.716 2.721 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232218839 777479423 /nfs/dbraw/zinc/47/94/23/777479423.db2.gz MICHPYWYWFOYSG-LRDDRELGSA-N 1 0 293.370 2.596 20 5 CFBDRO C[NH+]1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219882 777479461 /nfs/dbraw/zinc/47/94/61/777479461.db2.gz VNDXZHAVVAFHKK-UHFFFAOYSA-N 1 0 292.386 2.530 20 5 CFBDRO OC[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221922 777481421 /nfs/dbraw/zinc/48/14/21/777481421.db2.gz MOGLDMKTFPHRIK-ZDUSSCGKSA-N 1 0 293.370 2.597 20 5 CFBDRO CC(=O)c1ccc(C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227118950 777767002 /nfs/dbraw/zinc/76/70/02/777767002.db2.gz MZLQWELIJCNVOB-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000713927983 777878530 /nfs/dbraw/zinc/87/85/30/777878530.db2.gz VEJOFFIZHXUBKN-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c[nH]nc2cc1Cl ZINC001227784586 777901125 /nfs/dbraw/zinc/90/11/25/777901125.db2.gz BNPRCFQUFXZDNM-SECBINFHSA-N 1 0 268.768 2.690 20 5 CFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000179088363 777933951 /nfs/dbraw/zinc/93/39/51/777933951.db2.gz XWLUWOPVVZBYNB-CYBMUJFWSA-N 1 0 284.331 2.573 20 5 CFBDRO Cc1ccnc([N+](=O)[O-])c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001233554220 777989772 /nfs/dbraw/zinc/98/97/72/777989772.db2.gz UBAKGGFSNIBOKA-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233598459 778006810 /nfs/dbraw/zinc/00/68/10/778006810.db2.gz ATHRKPXYANCDQE-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc(F)cnc2c1 ZINC001233641921 778021284 /nfs/dbraw/zinc/02/12/84/778021284.db2.gz UBJDSGVBWQNVFS-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO O=[N+]([O-])c1c(F)cc(OC2CC[NH+](C3CC3)CC2)cc1F ZINC001233753843 778064472 /nfs/dbraw/zinc/06/44/72/778064472.db2.gz PKLDGHLQSCUWLR-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c(F)c1F)C2 ZINC001233765340 778069577 /nfs/dbraw/zinc/06/95/77/778069577.db2.gz UFYVPFFZIJVCBE-ILWJIGKKSA-N 1 0 298.289 2.877 20 5 CFBDRO CCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001233806076 778083981 /nfs/dbraw/zinc/08/39/81/778083981.db2.gz VFMNXFGNAXVDNJ-CYBMUJFWSA-N 1 0 280.388 2.645 20 5 CFBDRO COC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)ccc1Cl ZINC001233969171 778127016 /nfs/dbraw/zinc/12/70/16/778127016.db2.gz BFUKVRPCHKKZHC-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO Cc1cc(F)c(O[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001234056527 778155070 /nfs/dbraw/zinc/15/50/70/778155070.db2.gz KGICYWCWGJUWRZ-JTQLQIEISA-N 1 0 268.288 2.515 20 5 CFBDRO Cc1cc(F)c(O[C@H](C)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001234061666 778155428 /nfs/dbraw/zinc/15/54/28/778155428.db2.gz WPMGRNNSBHDSHA-SNVBAGLBSA-N 1 0 271.312 2.516 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000697387774 778205163 /nfs/dbraw/zinc/20/51/63/778205163.db2.gz XXUADIFXKPRJDS-AWEZNQCLSA-N 1 0 276.336 2.551 20 5 CFBDRO Cc1c(C[NH2+]C2CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000697445505 778230590 /nfs/dbraw/zinc/23/05/90/778230590.db2.gz DYJCKWJEUBTKLH-UHFFFAOYSA-N 1 0 256.252 2.791 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2c(C)cc(F)cc2[N+](=O)[O-])C1 ZINC001229198661 778281879 /nfs/dbraw/zinc/28/18/79/778281879.db2.gz NVQNVIONFXYAFL-NSHDSACASA-N 1 0 268.288 2.515 20 5 CFBDRO Cc1cnc(F)c([C@@H](C)OCCC[N+](C)(C)C)c1 ZINC001224621474 778602909 /nfs/dbraw/zinc/60/29/09/778602909.db2.gz VLFDBZPPSWKUMJ-GFCCVEGCSA-N 1 0 255.357 2.703 20 5 CFBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)C1CCOCC1 ZINC001224772790 778678478 /nfs/dbraw/zinc/67/84/78/778678478.db2.gz CINAFXJOOWJOSQ-QGZVFWFLSA-N 1 0 278.416 2.877 20 5 CFBDRO Cc1cc(O[C@H]2CC[N@@H+](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871935 779277057 /nfs/dbraw/zinc/27/70/57/779277057.db2.gz OZTAXIKIGRGVDC-LBPRGKRZSA-N 1 0 264.325 2.603 20 5 CFBDRO Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC001168601658 780032030 /nfs/dbraw/zinc/03/20/30/780032030.db2.gz SZOMEQHARZNLSF-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000453164488 780421629 /nfs/dbraw/zinc/42/16/29/780421629.db2.gz ALGRPYJSOMPUCW-CABCVRRESA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001229831597 780548392 /nfs/dbraw/zinc/54/83/92/780548392.db2.gz NJSKMOLXLXQTCT-MRVPVSSYSA-N 1 0 292.257 2.943 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCSC2)cc1 ZINC000704843729 781124625 /nfs/dbraw/zinc/12/46/25/781124625.db2.gz IPWRYRMYHLSRQA-CYBMUJFWSA-N 1 0 280.393 2.870 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1F ZINC000711473971 781439153 /nfs/dbraw/zinc/43/91/53/781439153.db2.gz YNHJMHZDYYSSIE-NSHDSACASA-N 1 0 270.279 2.915 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cs1 ZINC000711837642 781473341 /nfs/dbraw/zinc/47/33/41/781473341.db2.gz BGMQBFPSVFVLNQ-TZMCWYRMSA-N 1 0 296.392 2.951 20 5 CFBDRO COC(C)(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000711903468 781483860 /nfs/dbraw/zinc/48/38/60/781483860.db2.gz KJZVCIPERNXLND-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594519864 349440083 /nfs/dbraw/zinc/44/00/83/349440083.db2.gz MEVZPXZSMGOBCZ-CVEARBPZSA-N 1 0 289.379 2.701 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594546600 349444954 /nfs/dbraw/zinc/44/49/54/349444954.db2.gz UKKIJWWIPMZAIP-RYUDHWBXSA-N 1 0 291.351 2.642 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000594549317 349445128 /nfs/dbraw/zinc/44/51/28/349445128.db2.gz MECRGZNLSSWSBT-GFCCVEGCSA-N 1 0 293.367 2.570 20 5 CFBDRO Cc1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594591144 349453645 /nfs/dbraw/zinc/45/36/45/349453645.db2.gz FWBPYXKTQJQUMW-TXEJJXNPSA-N 1 0 263.341 2.655 20 5 CFBDRO CC(=O)c1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594591131 349453649 /nfs/dbraw/zinc/45/36/49/349453649.db2.gz FOGJOWGDJLKFDK-BJHJDKERSA-N 1 0 291.351 2.550 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594592806 349454583 /nfs/dbraw/zinc/45/45/83/349454583.db2.gz XUBWVOBCSYJVGP-TXEJJXNPSA-N 1 0 263.341 2.655 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594601972 349458422 /nfs/dbraw/zinc/45/84/22/349458422.db2.gz QDGDVNLDOMRGPO-STQMWFEESA-N 1 0 294.330 2.558 20 5 CFBDRO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594927220 349512119 /nfs/dbraw/zinc/51/21/19/349512119.db2.gz ZWBYJHWHMZIKIM-LLVKDONJSA-N 1 0 286.335 2.588 20 5 CFBDRO CC[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594931224 349515138 /nfs/dbraw/zinc/51/51/38/349515138.db2.gz LXJYVHMGHHUUAZ-OLZOCXBDSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594956231 349528515 /nfs/dbraw/zinc/52/85/15/349528515.db2.gz IRHZHFQOSYFADD-AWEZNQCLSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594957503 349529235 /nfs/dbraw/zinc/52/92/35/349529235.db2.gz RUUKLJNAVOXWKP-AWEZNQCLSA-N 1 0 278.352 2.890 20 5 CFBDRO COC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594961209 349531576 /nfs/dbraw/zinc/53/15/76/349531576.db2.gz GPYSLSXPOHFCNY-UHFFFAOYSA-N 1 0 282.315 2.639 20 5 CFBDRO CC1(C)C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000594963988 349532239 /nfs/dbraw/zinc/53/22/39/349532239.db2.gz NKGURLQNJRIGGN-IYNGYCSASA-N 1 0 276.336 2.765 20 5 CFBDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594962870 349532308 /nfs/dbraw/zinc/53/23/08/349532308.db2.gz MERSBEMONCEKLU-ZDUSSCGKSA-N 1 0 277.368 2.557 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594970332 349535709 /nfs/dbraw/zinc/53/57/09/349535709.db2.gz YISNJIYBRQEFDW-UMSPYCQHSA-N 1 0 284.743 2.905 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000594970350 349536012 /nfs/dbraw/zinc/53/60/12/349536012.db2.gz YVSPEZBOSRMIIM-JOCQHMNTSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(F)F ZINC000594976391 349536592 /nfs/dbraw/zinc/53/65/92/349536592.db2.gz CLUPRMAABUXJQL-NSHDSACASA-N 1 0 274.242 2.869 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)CC1CC1 ZINC000594981936 349537566 /nfs/dbraw/zinc/53/75/66/349537566.db2.gz CKHDWNYOMLMQRK-KQIUPUNMSA-N 1 0 290.363 2.606 20 5 CFBDRO CCC(CC)(CO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449217340 282125350 /nfs/dbraw/zinc/12/53/50/282125350.db2.gz YOGBZJDVYYMHQZ-CYBMUJFWSA-N 1 0 294.395 2.914 20 5 CFBDRO COc1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594985711 349538624 /nfs/dbraw/zinc/53/86/24/349538624.db2.gz NOMVZZTXNSBKRD-LBPRGKRZSA-N 1 0 286.278 2.738 20 5 CFBDRO C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273084446 192038100 /nfs/dbraw/zinc/03/81/00/192038100.db2.gz RLCBDWWJCNNXCU-JKSUJKDBSA-N 1 0 290.363 2.685 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCSC ZINC000595006935 349546291 /nfs/dbraw/zinc/54/62/91/349546291.db2.gz MZNBRKHTWLJZIH-SECBINFHSA-N 1 0 270.354 2.617 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595008084 349546666 /nfs/dbraw/zinc/54/66/66/349546666.db2.gz PRZGZHQZJRFVOZ-AAEUAGOBSA-N 1 0 276.336 2.957 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008742 349547427 /nfs/dbraw/zinc/54/74/27/349547427.db2.gz QHJSJNHYAHPMJX-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](OC)C(C)C ZINC000595014199 349549953 /nfs/dbraw/zinc/54/99/53/349549953.db2.gz UQFVAGRAAMUTBJ-NHYWBVRUSA-N 1 0 296.367 2.925 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014547 349550103 /nfs/dbraw/zinc/55/01/03/349550103.db2.gz MHJIOZHUMNJULC-LLVKDONJSA-N 1 0 296.367 2.805 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595023588 349553724 /nfs/dbraw/zinc/55/37/24/349553724.db2.gz WPUUALTYNJUUIY-QMTHXVAHSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000595026079 349555029 /nfs/dbraw/zinc/55/50/29/349555029.db2.gz MVLMJQFLABFIIS-NEPJUHHUSA-N 1 0 294.351 2.823 20 5 CFBDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595006041 349545302 /nfs/dbraw/zinc/54/53/02/349545302.db2.gz GLYVCFLKKRRBGM-MLGOLLRUSA-N 1 0 286.331 2.807 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000125210125 187174820 /nfs/dbraw/zinc/17/48/20/187174820.db2.gz VJGZPXDTTSLAJU-LLVKDONJSA-N 1 0 284.406 2.533 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000595054174 349566405 /nfs/dbraw/zinc/56/64/05/349566405.db2.gz YQPSPKKUHYITFK-GVXVVHGQSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000595056893 349568393 /nfs/dbraw/zinc/56/83/93/349568393.db2.gz SCTNPGWUZFVHQG-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595057477 349569142 /nfs/dbraw/zinc/56/91/42/349569142.db2.gz XNWWKUCSQLJIHV-FZMZJTMJSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000595066240 349572546 /nfs/dbraw/zinc/57/25/46/349572546.db2.gz GVNKAUNHDJEXKA-VXGBXAGGSA-N 1 0 278.352 2.715 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038179 349559082 /nfs/dbraw/zinc/55/90/82/349559082.db2.gz KHSCTQIRLLQLMU-NSHDSACASA-N 1 0 296.367 2.927 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595037100 349559169 /nfs/dbraw/zinc/55/91/69/349559169.db2.gz BOGPGTFIXSONEW-PWSUYJOCSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000595039759 349559803 /nfs/dbraw/zinc/55/98/03/349559803.db2.gz CERRCQRAIWGFNG-WDEREUQCSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000595092779 349579355 /nfs/dbraw/zinc/57/93/55/349579355.db2.gz WNXWBQGAYBQURA-GXTWGEPZSA-N 1 0 292.379 2.962 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2=CCCC2)n1 ZINC000595096375 349580212 /nfs/dbraw/zinc/58/02/12/349580212.db2.gz KQTDCPXPBNMUKU-ZIAGYGMSSA-N 1 0 290.367 2.975 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595106115 349583119 /nfs/dbraw/zinc/58/31/19/349583119.db2.gz ILNAKLKULRALIH-IMJJTQAJSA-N 1 0 290.363 2.683 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595107631 349583292 /nfs/dbraw/zinc/58/32/92/349583292.db2.gz OYDQYFRQILRWRH-HONMWMINSA-N 1 0 264.325 2.731 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595107660 349583374 /nfs/dbraw/zinc/58/33/74/349583374.db2.gz PGPQWNABFVNAGZ-ZNMIVQPWSA-N 1 0 276.336 2.739 20 5 CFBDRO CCS[C@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595313093 349600639 /nfs/dbraw/zinc/60/06/39/349600639.db2.gz QDLYOUYEAQORAB-NSHDSACASA-N 1 0 299.396 2.999 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595403791 349617300 /nfs/dbraw/zinc/61/73/00/349617300.db2.gz IJEUAHROGLFCOF-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595410897 349618080 /nfs/dbraw/zinc/61/80/80/349618080.db2.gz UMRIBTBEZGCHRE-SNVBAGLBSA-N 1 0 279.340 2.903 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595420374 349619673 /nfs/dbraw/zinc/61/96/73/349619673.db2.gz CKBCZLSTOMTUKV-CYBMUJFWSA-N 1 0 284.331 2.621 20 5 CFBDRO CSCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096956087 185140506 /nfs/dbraw/zinc/14/05/06/185140506.db2.gz AAIICRVIFGLAIB-JTQLQIEISA-N 1 0 254.355 2.951 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595418934 349619866 /nfs/dbraw/zinc/61/98/66/349619866.db2.gz VYBJQGRODUMZDZ-JTQLQIEISA-N 1 0 282.315 2.639 20 5 CFBDRO CCC(CC)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595422600 349620545 /nfs/dbraw/zinc/62/05/45/349620545.db2.gz IPHUGORLCFMPOI-UHFFFAOYSA-N 1 0 263.341 2.784 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595439076 349626925 /nfs/dbraw/zinc/62/69/25/349626925.db2.gz DGGIUEPOMJKHLI-IQJOONFLSA-N 1 0 267.329 2.806 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595438807 349626700 /nfs/dbraw/zinc/62/67/00/349626700.db2.gz CATZPFIVGUPNNP-WCABBAIRSA-N 1 0 267.329 2.806 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595438804 349626713 /nfs/dbraw/zinc/62/67/13/349626713.db2.gz CATZPFIVGUPNNP-ATZCPNFKSA-N 1 0 267.329 2.806 20 5 CFBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000595468756 349636869 /nfs/dbraw/zinc/63/68/69/349636869.db2.gz LFUZMWPINNSNLT-BONVTDFDSA-N 1 0 294.326 2.733 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000595509718 349647168 /nfs/dbraw/zinc/64/71/68/349647168.db2.gz IAQQEIWEPGJTFD-YXMPFFBPSA-N 1 0 289.335 2.535 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512503 349647661 /nfs/dbraw/zinc/64/76/61/349647661.db2.gz PAEVQMDKFZPAFL-QWHCGFSZSA-N 1 0 282.315 2.637 20 5 CFBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595558709 349659023 /nfs/dbraw/zinc/65/90/23/349659023.db2.gz PMQIUBHEIWHMQZ-NSHDSACASA-N 1 0 296.342 2.574 20 5 CFBDRO CSCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000069000823 346879842 /nfs/dbraw/zinc/87/98/42/346879842.db2.gz CSIFJTDIXAERLI-UHFFFAOYSA-N 1 0 260.746 2.701 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595535511 349652902 /nfs/dbraw/zinc/65/29/02/349652902.db2.gz GSCKTRXOSABSCK-ZDUSSCGKSA-N 1 0 277.368 2.511 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000595550008 349657407 /nfs/dbraw/zinc/65/74/07/349657407.db2.gz GSJJQNHSLGZBHH-LBPRGKRZSA-N 1 0 279.340 2.903 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000595567527 349662448 /nfs/dbraw/zinc/66/24/48/349662448.db2.gz RDMXDHSUAMBKGU-STQMWFEESA-N 1 0 276.336 2.978 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000595566557 349662518 /nfs/dbraw/zinc/66/25/18/349662518.db2.gz IDABWOSYPFFQIY-STQMWFEESA-N 1 0 276.336 2.978 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595689172 349701020 /nfs/dbraw/zinc/70/10/20/349701020.db2.gz MQTRKPFVVGAEAJ-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000595733824 349719656 /nfs/dbraw/zinc/71/96/56/349719656.db2.gz JRZCMJFWUCQAFX-AWEZNQCLSA-N 1 0 292.383 2.694 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595810891 349737462 /nfs/dbraw/zinc/73/74/62/349737462.db2.gz PGFKBXHDHQXAQE-STQMWFEESA-N 1 0 276.336 2.835 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(Cl)c1 ZINC000595830893 349745945 /nfs/dbraw/zinc/74/59/45/349745945.db2.gz MWRRSLMUNUHSPJ-NWDGAFQWSA-N 1 0 296.754 2.717 20 5 CFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000595764404 349726010 /nfs/dbraw/zinc/72/60/10/349726010.db2.gz BACDVKHBPOKMMB-CYBMUJFWSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595760145 349726430 /nfs/dbraw/zinc/72/64/30/349726430.db2.gz SDRCWVWUFUAJOW-WOSRLPQWSA-N 1 0 290.363 2.933 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]1(C)CO ZINC000595880778 349761074 /nfs/dbraw/zinc/76/10/74/349761074.db2.gz ZEKPIAAKMARTNX-QMTHXVAHSA-N 1 0 298.770 2.699 20 5 CFBDRO C[N@H+](CC1=CCSC1)Cc1cccc([N+](=O)[O-])c1 ZINC000595895393 349764382 /nfs/dbraw/zinc/76/43/82/349764382.db2.gz LGYUQZDOKHVXAS-UHFFFAOYSA-N 1 0 264.350 2.700 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595868324 349757843 /nfs/dbraw/zinc/75/78/43/349757843.db2.gz AVVLSAJVEJVFEX-ZOWXZIJZSA-N 1 0 278.352 2.606 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000596014903 349776406 /nfs/dbraw/zinc/77/64/06/349776406.db2.gz WKIJUJJKAUEZCN-NEPJUHHUSA-N 1 0 293.367 2.557 20 5 CFBDRO CC(C)c1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000596049752 349780835 /nfs/dbraw/zinc/78/08/35/349780835.db2.gz LOCMJQXRKSEEGO-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[NH+]1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596061070 349784269 /nfs/dbraw/zinc/78/42/69/349784269.db2.gz BFFDSZYTSZTJMM-UHFFFAOYSA-N 1 0 269.370 2.861 20 5 CFBDRO COc1cc(NC2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596062171 349784530 /nfs/dbraw/zinc/78/45/30/349784530.db2.gz NIBSBBIRTVHCSH-UHFFFAOYSA-N 1 0 299.758 2.763 20 5 CFBDRO COc1cc(NC[C@H]2CCC[N@@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596091079 349792242 /nfs/dbraw/zinc/79/22/42/349792242.db2.gz HEICSYLHTGQANF-SECBINFHSA-N 1 0 299.758 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCCF)CCC2 ZINC000596095072 349793785 /nfs/dbraw/zinc/79/37/85/349793785.db2.gz OIFMMVBWXKCPBF-CQSZACIVSA-N 1 0 282.315 2.548 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072562327 346930082 /nfs/dbraw/zinc/93/00/82/346930082.db2.gz FJUWEWPLLFCDTJ-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO C[C@H](CCCCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294982065 199284217 /nfs/dbraw/zinc/28/42/17/199284217.db2.gz GRAFMCNLWVVWKE-YSKGHYERSA-N 1 0 278.352 2.749 20 5 CFBDRO CO[C@@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000263807038 536870751 /nfs/dbraw/zinc/87/07/51/536870751.db2.gz LOMHAKJHGPKYBN-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596227444 349833945 /nfs/dbraw/zinc/83/39/45/349833945.db2.gz XTQJBLBWCJAXIN-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596238857 349836357 /nfs/dbraw/zinc/83/63/57/349836357.db2.gz ZKGNXVHLQDDCEF-QMMMGPOBSA-N 1 0 257.359 2.574 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596308298 349859070 /nfs/dbraw/zinc/85/90/70/349859070.db2.gz QTMJSEGXZQOSGO-SNVBAGLBSA-N 1 0 296.346 2.661 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000596305911 349858052 /nfs/dbraw/zinc/85/80/52/349858052.db2.gz CTBGXGVQEWLTCQ-ZDUSSCGKSA-N 1 0 263.341 2.880 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000596326769 349864580 /nfs/dbraw/zinc/86/45/80/349864580.db2.gz LEAZLQLIUDAOLE-NSHDSACASA-N 1 0 263.341 2.880 20 5 CFBDRO Cc1nc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337625 349868842 /nfs/dbraw/zinc/86/88/42/349868842.db2.gz YUAKLYAVLMPMPN-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273173249 192065881 /nfs/dbraw/zinc/06/58/81/192065881.db2.gz WGRUWVKGCRWZPV-HZPDHXFCSA-N 1 0 290.363 2.950 20 5 CFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000596425704 349899384 /nfs/dbraw/zinc/89/93/84/349899384.db2.gz VOQJHYIHTQTWSK-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740673 347029668 /nfs/dbraw/zinc/02/96/68/347029668.db2.gz PDOJWFNMXPLAGO-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)[NH+](CCCNc1ncccc1[N+](=O)[O-])C(C)C ZINC000074773005 347032192 /nfs/dbraw/zinc/03/21/92/347032192.db2.gz CGSKEAKFRSMLDS-UHFFFAOYSA-N 1 0 280.372 2.911 20 5 CFBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478467 349913977 /nfs/dbraw/zinc/91/39/77/349913977.db2.gz NLCCEEBKOLVSTI-LBPRGKRZSA-N 1 0 290.367 2.809 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000596488608 349918077 /nfs/dbraw/zinc/91/80/77/349918077.db2.gz RPGWVZLVDLHORT-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000596488607 349918204 /nfs/dbraw/zinc/91/82/04/349918204.db2.gz RPGWVZLVDLHORT-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313110906 260249888 /nfs/dbraw/zinc/24/98/88/260249888.db2.gz FABYQSYOQDSYFD-GXFFZTMASA-N 1 0 264.325 2.670 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000596518483 349927688 /nfs/dbraw/zinc/92/76/88/349927688.db2.gz UXPQIUHXMYHKAH-SECBINFHSA-N 1 0 255.343 2.553 20 5 CFBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000027132809 346268142 /nfs/dbraw/zinc/26/81/42/346268142.db2.gz OESXZHYLMUUDMX-NSHDSACASA-N 1 0 293.367 2.900 20 5 CFBDRO CC1(C)CC(Nc2ccncc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000060375277 346664381 /nfs/dbraw/zinc/66/43/81/346664381.db2.gz XPTCFFQKNCGGDE-UHFFFAOYSA-N 1 0 278.356 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000066410749 346758750 /nfs/dbraw/zinc/75/87/50/346758750.db2.gz VQVRJOWVMHBRKL-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO Cc1c(NC(=O)CC[N@@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000065962733 346744984 /nfs/dbraw/zinc/74/49/84/346744984.db2.gz OUJPAUFPSLFSRV-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO O=[N+]([O-])c1cnccc1NCCC[NH2+]C1CCCCC1 ZINC000066808240 346780055 /nfs/dbraw/zinc/78/00/55/346780055.db2.gz WYVDRWKQRBNDNI-UHFFFAOYSA-N 1 0 278.356 2.714 20 5 CFBDRO C[C@@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000075894612 347107589 /nfs/dbraw/zinc/10/75/89/347107589.db2.gz VIGAVKQWVGASCD-VXGBXAGGSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000076110759 347121814 /nfs/dbraw/zinc/12/18/14/347121814.db2.gz VKRZOTJNDXYIMH-RYUDHWBXSA-N 1 0 264.325 2.561 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076800467 347155315 /nfs/dbraw/zinc/15/53/15/347155315.db2.gz FXUYLHJNESVCFW-STQMWFEESA-N 1 0 292.383 2.770 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2nccs2)cc1 ZINC000076892572 347158643 /nfs/dbraw/zinc/15/86/43/347158643.db2.gz QQAJTVKJVPDRFM-UHFFFAOYSA-N 1 0 277.349 2.774 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CC(F)(F)C2)c1 ZINC000291817820 232598316 /nfs/dbraw/zinc/59/83/16/232598316.db2.gz YYJLXIHRPMTUSF-UHFFFAOYSA-N 1 0 256.252 2.730 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076157137 347126419 /nfs/dbraw/zinc/12/64/19/347126419.db2.gz IXKCXOCOZQEOEE-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000128456846 187372273 /nfs/dbraw/zinc/37/22/73/187372273.db2.gz CUULYMQIIRZWIM-ZBFHGGJFSA-N 1 0 290.363 2.722 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332715 347241810 /nfs/dbraw/zinc/24/18/10/347241810.db2.gz CIXZAPZFEUHBMD-OLZOCXBDSA-N 1 0 277.368 2.761 20 5 CFBDRO Cc1c(CNC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000308632579 232647078 /nfs/dbraw/zinc/64/70/78/232647078.db2.gz HEFJBQHSNZQVTF-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078559657 347261501 /nfs/dbraw/zinc/26/15/01/347261501.db2.gz YIIPPGWGAXUIED-LBPRGKRZSA-N 1 0 295.358 2.902 20 5 CFBDRO Cc1cnc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078653868 347267097 /nfs/dbraw/zinc/26/70/97/347267097.db2.gz GJRPAACPZZBCIX-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCCCC2)c1 ZINC000080573155 347366890 /nfs/dbraw/zinc/36/68/90/347366890.db2.gz DPTNFTGWZZRSNH-UHFFFAOYSA-N 1 0 297.330 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC23CCC3)cc1 ZINC000081516037 347423390 /nfs/dbraw/zinc/42/33/90/347423390.db2.gz KCRILGGHGZVCBD-UHFFFAOYSA-N 1 0 262.309 2.602 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000088721476 347507849 /nfs/dbraw/zinc/50/78/49/347507849.db2.gz LSXJANJGEFNFDF-ZDUSSCGKSA-N 1 0 275.352 2.799 20 5 CFBDRO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000089581023 347521797 /nfs/dbraw/zinc/52/17/97/347521797.db2.gz CLGGVPGNTDWWDX-HNNXBMFYSA-N 1 0 278.352 2.998 20 5 CFBDRO CCCC[C@@H](COC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910007 347561884 /nfs/dbraw/zinc/56/18/84/347561884.db2.gz ZONCBDPACFDCEW-AWEZNQCLSA-N 1 0 280.368 2.932 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000092626568 347636044 /nfs/dbraw/zinc/63/60/44/347636044.db2.gz RBKBLVGMIUCGGZ-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000093143670 347663142 /nfs/dbraw/zinc/66/31/42/347663142.db2.gz HKBWEBZKQYDBGH-CFNZNRNTSA-N 1 0 278.352 2.699 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094473017 347695648 /nfs/dbraw/zinc/69/56/48/347695648.db2.gz RAGBSUILJWPFOC-CMPLNLGQSA-N 1 0 266.366 2.621 20 5 CFBDRO Cc1ccc(C[N@H+](CCCCO)C2CC2)cc1[N+](=O)[O-] ZINC000093383108 347672159 /nfs/dbraw/zinc/67/21/59/347672159.db2.gz LESCUHIMORAYLM-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@]1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000122185951 347814937 /nfs/dbraw/zinc/81/49/37/347814937.db2.gz HPGYOXLBRMGBKU-CQSZACIVSA-N 1 0 296.392 2.849 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157777910 348002416 /nfs/dbraw/zinc/00/24/16/348002416.db2.gz NLVZJEUETWZWOT-IUODEOHRSA-N 1 0 289.379 2.730 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157737978 348002703 /nfs/dbraw/zinc/00/27/03/348002703.db2.gz XEKUSXXUBCVJKW-QWRGUYRKSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173333578 348107537 /nfs/dbraw/zinc/10/75/37/348107537.db2.gz UPJOHJFHCMPZKH-LBPRGKRZSA-N 1 0 299.330 2.884 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000215984787 348163033 /nfs/dbraw/zinc/16/30/33/348163033.db2.gz DEENGDCLVAIYEL-LBPRGKRZSA-N 1 0 294.351 2.521 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000215987453 348163039 /nfs/dbraw/zinc/16/30/39/348163039.db2.gz VLWUIMUGGNAUFN-LBPRGKRZSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)CCC1 ZINC000234885764 348222887 /nfs/dbraw/zinc/22/28/87/348222887.db2.gz IWIJGQRFTSISBY-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO CC(C)(C)C[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226094653 348181816 /nfs/dbraw/zinc/18/18/16/348181816.db2.gz RZUDPYGDGHMZGA-AWEZNQCLSA-N 1 0 280.368 2.524 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227650433 348189600 /nfs/dbraw/zinc/18/96/00/348189600.db2.gz YMDUNLFEWMIOAU-VIFPVBQESA-N 1 0 286.763 2.785 20 5 CFBDRO CC(C)(CCCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227965577 348192490 /nfs/dbraw/zinc/19/24/90/348192490.db2.gz OUTHTAKJZHPEEE-UHFFFAOYSA-N 1 0 280.368 2.526 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293256231 348361906 /nfs/dbraw/zinc/36/19/06/348361906.db2.gz UEYVYQJWRAKRQM-QWHCGFSZSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000310996383 348411602 /nfs/dbraw/zinc/41/16/02/348411602.db2.gz UFVFLVHQFILTBR-SNVBAGLBSA-N 1 0 256.252 2.872 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000311419871 348413156 /nfs/dbraw/zinc/41/31/56/348413156.db2.gz KLIQVEOAEFQLGM-JTQLQIEISA-N 1 0 269.320 2.875 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413044828 233010721 /nfs/dbraw/zinc/01/07/21/233010721.db2.gz XNAKPNYTFDMPIW-LLVKDONJSA-N 1 0 296.346 2.805 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000328205501 348440710 /nfs/dbraw/zinc/44/07/10/348440710.db2.gz TXIOXHOQLILOIY-SNVBAGLBSA-N 1 0 267.304 2.630 20 5 CFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328572909 348441321 /nfs/dbraw/zinc/44/13/21/348441321.db2.gz VEJPILZJHNBDFD-AWEZNQCLSA-N 1 0 297.358 2.732 20 5 CFBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000401134454 348577220 /nfs/dbraw/zinc/57/72/20/348577220.db2.gz VNYHPVFIZPGYFM-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)sn1 ZINC000404290699 348590282 /nfs/dbraw/zinc/59/02/82/348590282.db2.gz UPMJSLQFSBAFNP-UHFFFAOYSA-N 1 0 293.348 2.528 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CC[NH3+] ZINC000404365306 348591564 /nfs/dbraw/zinc/59/15/64/348591564.db2.gz PBDQALCERQTKDR-IAQYHMDHSA-N 1 0 295.358 2.683 20 5 CFBDRO Cc1cnc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413343224 233056056 /nfs/dbraw/zinc/05/60/56/233056056.db2.gz AKMMZSMAZRLEPX-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000587973646 348763112 /nfs/dbraw/zinc/76/31/12/348763112.db2.gz BTSGEYYKXAHUTD-LLVKDONJSA-N 1 0 279.315 2.630 20 5 CFBDRO COCC[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959306 348806476 /nfs/dbraw/zinc/80/64/76/348806476.db2.gz XTYRBEDIMRRVPC-NSHDSACASA-N 1 0 291.351 2.633 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589198198 348819221 /nfs/dbraw/zinc/81/92/21/348819221.db2.gz QRTKKVIFWCECPB-INIZCTEOSA-N 1 0 292.379 2.921 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000589501622 348836238 /nfs/dbraw/zinc/83/62/38/348836238.db2.gz TUKWAWOHPCIQAL-WDEREUQCSA-N 1 0 292.335 2.612 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000589494960 348836376 /nfs/dbraw/zinc/83/63/76/348836376.db2.gz DOUAUHILCOLMTA-LLVKDONJSA-N 1 0 294.351 2.858 20 5 CFBDRO Cc1cccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000589584232 348839339 /nfs/dbraw/zinc/83/93/39/348839339.db2.gz LAWSBIQZFOANQY-NEPJUHHUSA-N 1 0 275.352 2.940 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000589742346 348854201 /nfs/dbraw/zinc/85/42/01/348854201.db2.gz LBEOBJGDDDZPGW-DOTOQJQBSA-N 1 0 295.342 2.904 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000589737410 348854807 /nfs/dbraw/zinc/85/48/07/348854807.db2.gz ORIDWMSFRPCPQL-OMVNSRBRSA-N 1 0 298.346 2.752 20 5 CFBDRO Cc1noc(C)c1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590594547 348912277 /nfs/dbraw/zinc/91/22/77/348912277.db2.gz RNHLPXHRKBPZKQ-UHFFFAOYSA-N 1 0 289.335 2.574 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591850151 349051255 /nfs/dbraw/zinc/05/12/55/349051255.db2.gz VZMPTFLWAJCHPZ-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000591266080 349005449 /nfs/dbraw/zinc/00/54/49/349005449.db2.gz YOZYKLDFGXTPMO-KCJUWKMLSA-N 1 0 256.252 2.728 20 5 CFBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000591348677 349010710 /nfs/dbraw/zinc/01/07/10/349010710.db2.gz AKTYYCHVSJGWSA-WQVCFCJDSA-N 1 0 290.363 2.865 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591451251 349023396 /nfs/dbraw/zinc/02/33/96/349023396.db2.gz VWEQSUXDJPCNIF-CZUORRHYSA-N 1 0 289.379 2.731 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591578078 349031780 /nfs/dbraw/zinc/03/17/80/349031780.db2.gz VSKVECXCIIYVRN-TZMCWYRMSA-N 1 0 277.368 2.696 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3=CCCC3)CC2)c1 ZINC000592060362 349076957 /nfs/dbraw/zinc/07/69/57/349076957.db2.gz KTRJTWSKJCZSMQ-UHFFFAOYSA-N 1 0 287.363 2.827 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1CSCC1CC[NH2+]CC1 ZINC000592174947 349094540 /nfs/dbraw/zinc/09/45/40/349094540.db2.gz YVZOTEPLVSOJIM-UHFFFAOYSA-N 1 0 284.356 2.967 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592372851 349111179 /nfs/dbraw/zinc/11/11/79/349111179.db2.gz WDLOAWJUWICCGI-SECBINFHSA-N 1 0 258.268 2.976 20 5 CFBDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592375523 349112188 /nfs/dbraw/zinc/11/21/88/349112188.db2.gz WOCHUPQZJQUWAT-HNNXBMFYSA-N 1 0 280.368 2.934 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000592380779 349113570 /nfs/dbraw/zinc/11/35/70/349113570.db2.gz QLDOPYNXTDGYHX-ZWNOBZJWSA-N 1 0 296.392 2.977 20 5 CFBDRO CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592427648 349118315 /nfs/dbraw/zinc/11/83/15/349118315.db2.gz MLGZFDXMHXKGJF-LGVMCUBASA-N 1 0 289.379 2.667 20 5 CFBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000592520760 349131190 /nfs/dbraw/zinc/13/11/90/349131190.db2.gz QRTMRZBSPHRDJU-CQSZACIVSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CCO ZINC000593110738 349210867 /nfs/dbraw/zinc/21/08/67/349210867.db2.gz ZVFWPWAUAJCENS-GFCCVEGCSA-N 1 0 296.367 2.585 20 5 CFBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593063853 349199205 /nfs/dbraw/zinc/19/92/05/349199205.db2.gz PLKWTEWSTYPDEK-WFASDCNBSA-N 1 0 278.352 2.637 20 5 CFBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593068151 349200313 /nfs/dbraw/zinc/20/03/13/349200313.db2.gz MULJXINZCGRUJC-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(C2CCC2)CC1 ZINC000593081785 349203831 /nfs/dbraw/zinc/20/38/31/349203831.db2.gz RGIBWAYUQQQYEK-UHFFFAOYSA-N 1 0 276.336 2.896 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000593515249 349288817 /nfs/dbraw/zinc/28/88/17/349288817.db2.gz DLWQLVHDQUHGFG-UHFFFAOYSA-N 1 0 263.341 2.517 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1sccc1[N+](=O)[O-] ZINC000593516620 349288821 /nfs/dbraw/zinc/28/88/21/349288821.db2.gz PQABVCRGJBUWDZ-UHFFFAOYSA-N 1 0 269.370 2.578 20 5 CFBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000593481142 349279359 /nfs/dbraw/zinc/27/93/59/349279359.db2.gz XDXRRERKKUWZKK-UHFFFAOYSA-N 1 0 298.362 2.706 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000593668367 349307750 /nfs/dbraw/zinc/30/77/50/349307750.db2.gz KVZNEWUQKNLQAD-INIZCTEOSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000593682508 349309499 /nfs/dbraw/zinc/30/94/99/349309499.db2.gz QXQCUUBAQBEUQL-JTQLQIEISA-N 1 0 282.315 2.639 20 5 CFBDRO COCc1ccnc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000593698507 349312303 /nfs/dbraw/zinc/31/23/03/349312303.db2.gz RGUKRNRDGSBKGL-UHFFFAOYSA-N 1 0 279.321 2.810 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)CCF)c2cc([N+](=O)[O-])ccc21 ZINC000593718493 349314453 /nfs/dbraw/zinc/31/44/53/349314453.db2.gz IBOQKOJLGZYAME-QMTHXVAHSA-N 1 0 296.342 2.627 20 5 CFBDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000593719077 349314504 /nfs/dbraw/zinc/31/45/04/349314504.db2.gz UWKDGHSPMFCOSG-LBPRGKRZSA-N 1 0 278.352 2.798 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)CCF)c2cc([N+](=O)[O-])ccc21 ZINC000593718494 349314822 /nfs/dbraw/zinc/31/48/22/349314822.db2.gz IBOQKOJLGZYAME-YGRLFVJLSA-N 1 0 296.342 2.627 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)cc1[N+](=O)[O-] ZINC000594493759 349429147 /nfs/dbraw/zinc/42/91/47/349429147.db2.gz RGQRPQHBCKXEAU-ZYHUDNBSSA-N 1 0 296.392 2.977 20 5 CFBDRO COC[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271207533 191000050 /nfs/dbraw/zinc/00/00/50/191000050.db2.gz WMQGTNINTUXVDJ-BPJJOFIESA-N 1 0 276.336 2.576 20 5 CFBDRO COCC1(C2CCC2)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597193726 350049662 /nfs/dbraw/zinc/04/96/62/350049662.db2.gz WIUDACYUPIEVFW-UHFFFAOYSA-N 1 0 290.363 2.843 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090725268 180032816 /nfs/dbraw/zinc/03/28/16/180032816.db2.gz IHIKMKQFJMGJLB-VHSXEESVSA-N 1 0 254.355 2.997 20 5 CFBDRO CS[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090725269 180033133 /nfs/dbraw/zinc/03/31/33/180033133.db2.gz IHIKMKQFJMGJLB-NXEZZACHSA-N 1 0 254.355 2.997 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414570040 233295200 /nfs/dbraw/zinc/29/52/00/233295200.db2.gz IZDABRQJGNNGNS-ZDSVCRJJSA-N 1 0 290.363 2.749 20 5 CFBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091477454 180165892 /nfs/dbraw/zinc/16/58/92/180165892.db2.gz RNCAKRGFQAPIRV-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C1CC1 ZINC000105488297 186061409 /nfs/dbraw/zinc/06/14/09/186061409.db2.gz BXKPZKKDMAUWBD-JTQLQIEISA-N 1 0 297.786 2.821 20 5 CFBDRO CO[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091772322 180249288 /nfs/dbraw/zinc/24/92/88/180249288.db2.gz VSYPCYHFNRVHRN-GBXSZLQWSA-N 1 0 276.336 2.719 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCSCC1 ZINC000105445649 186058167 /nfs/dbraw/zinc/05/81/67/186058167.db2.gz QBJVAQGSMWHTGU-UHFFFAOYSA-N 1 0 282.365 2.589 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000091859803 180275794 /nfs/dbraw/zinc/27/57/94/180275794.db2.gz AGBXNFNDTCRBDJ-GHMZBOCLSA-N 1 0 294.351 2.842 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000598466650 350272999 /nfs/dbraw/zinc/27/29/99/350272999.db2.gz RSQGFEJPRARACY-UHFFFAOYSA-N 1 0 299.396 2.507 20 5 CFBDRO C[NH2+]C1(CNc2nccc3c2cccc3[N+](=O)[O-])CCC1 ZINC000598632267 350297327 /nfs/dbraw/zinc/29/73/27/350297327.db2.gz CPWWKKLUFAJOSS-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598649292 350302639 /nfs/dbraw/zinc/30/26/39/350302639.db2.gz SXTNHJDYPWOWOR-AWEZNQCLSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415006165 233432791 /nfs/dbraw/zinc/43/27/91/233432791.db2.gz KAWWURKDIVWBTK-QWRGUYRKSA-N 1 0 289.335 2.680 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCCOC1 ZINC000599057322 350367176 /nfs/dbraw/zinc/36/71/76/350367176.db2.gz MFYJOJAHFHDRPB-IUODEOHRSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCCOC1 ZINC000599057323 350367652 /nfs/dbraw/zinc/36/76/52/350367652.db2.gz MFYJOJAHFHDRPB-SWLSCSKDSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCCOC1 ZINC000599057321 350367673 /nfs/dbraw/zinc/36/76/73/350367673.db2.gz MFYJOJAHFHDRPB-DOMZBBRYSA-N 1 0 290.363 2.988 20 5 CFBDRO C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598956117 350348969 /nfs/dbraw/zinc/34/89/69/350348969.db2.gz XKWKHUGSNSHZQK-ZDUSSCGKSA-N 1 0 277.368 2.557 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985570 350354141 /nfs/dbraw/zinc/35/41/41/350354141.db2.gz TZUXIFDPJOJBHR-CYBMUJFWSA-N 1 0 278.352 2.810 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000598989560 350355083 /nfs/dbraw/zinc/35/50/83/350355083.db2.gz MADKUOGIUARNJD-AWEZNQCLSA-N 1 0 266.341 2.890 20 5 CFBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598989023 350355128 /nfs/dbraw/zinc/35/51/28/350355128.db2.gz XZTDMSIVKVIKNJ-PPDNHJNESA-N 1 0 288.347 2.765 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599012662 350358993 /nfs/dbraw/zinc/35/89/93/350358993.db2.gz IVDHXVGWBLFDFH-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CC[C@](C)(O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599037642 350363207 /nfs/dbraw/zinc/36/32/07/350363207.db2.gz JSOVQCCNRYOVTR-AWEZNQCLSA-N 1 0 275.308 2.716 20 5 CFBDRO C[C@@H](O)C[C@H](C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599046753 350365183 /nfs/dbraw/zinc/36/51/83/350365183.db2.gz MKGSYVYCHSSXCU-WDEREUQCSA-N 1 0 289.335 2.962 20 5 CFBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[C@H](O)C2)ccc2cnccc21 ZINC000599079450 350371673 /nfs/dbraw/zinc/37/16/73/350371673.db2.gz KUMZBRJQZVVXOK-PWSUYJOCSA-N 1 0 287.319 2.716 20 5 CFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC(C2CC2)C1 ZINC000599079309 350371846 /nfs/dbraw/zinc/37/18/46/350371846.db2.gz DJIJTEUGDLQKGG-UHFFFAOYSA-N 1 0 269.304 2.989 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1COC1 ZINC000599081535 350372569 /nfs/dbraw/zinc/37/25/69/350372569.db2.gz OIKNQZPGZZONBQ-UKRRQHHQSA-N 1 0 290.363 2.542 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084979 350373430 /nfs/dbraw/zinc/37/34/30/350373430.db2.gz HOPBVSSIPNRCIU-ZBINZKHDSA-N 1 0 276.336 2.813 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599091247 350374082 /nfs/dbraw/zinc/37/40/82/350374082.db2.gz ISGSGRWSOBPWSY-SGMGOOAPSA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599091364 350374300 /nfs/dbraw/zinc/37/43/00/350374300.db2.gz GAUOTJYDUVHQSL-UBHSHLNASA-N 1 0 278.352 2.683 20 5 CFBDRO CCO[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599411762 350431760 /nfs/dbraw/zinc/43/17/60/350431760.db2.gz DFYRCFLZOKIOFX-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599506917 350447811 /nfs/dbraw/zinc/44/78/11/350447811.db2.gz ONIZMTOYMXCAOR-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+](C2CC2)C2CC2)c1 ZINC000599596009 350462311 /nfs/dbraw/zinc/46/23/11/350462311.db2.gz YFUAQSCYOLYCPI-UHFFFAOYSA-N 1 0 262.309 2.600 20 5 CFBDRO CC[C@H]1CCCC[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000600140895 350518546 /nfs/dbraw/zinc/51/85/46/350518546.db2.gz ARHSQNKGGHHTGD-STQMWFEESA-N 1 0 280.372 2.597 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746365 350605544 /nfs/dbraw/zinc/60/55/44/350605544.db2.gz JAXPZAWPIZCMNF-VBNZEHGJSA-N 1 0 289.379 2.587 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000600710387 350599089 /nfs/dbraw/zinc/59/90/89/350599089.db2.gz RKUGTPWROPSULM-WFASDCNBSA-N 1 0 289.379 2.838 20 5 CFBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600714424 350600103 /nfs/dbraw/zinc/60/01/03/350600103.db2.gz RLMZRYSTFOAZIH-CQSZACIVSA-N 1 0 297.786 2.678 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109543935 186261014 /nfs/dbraw/zinc/26/10/14/186261014.db2.gz CLNWHBYDOGIQLZ-TZMCWYRMSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[NH+](CC)CCCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601108298 350669887 /nfs/dbraw/zinc/66/98/87/350669887.db2.gz HELKKCMRWGEEFF-UHFFFAOYSA-N 1 0 284.335 2.663 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000601229219 350703512 /nfs/dbraw/zinc/70/35/12/350703512.db2.gz JGPKWMZWGKVQBW-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601128868 350676793 /nfs/dbraw/zinc/67/67/93/350676793.db2.gz FODYKUJZAHITCN-NSHDSACASA-N 1 0 296.346 2.519 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601149559 350682130 /nfs/dbraw/zinc/68/21/30/350682130.db2.gz MXEBLMNQEMSRMS-NFJYJTDPSA-N 1 0 276.336 2.764 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000601149479 350682211 /nfs/dbraw/zinc/68/22/11/350682211.db2.gz MKLGOYLRXVXTKD-MISXGVKJSA-N 1 0 294.351 2.649 20 5 CFBDRO CCOc1cc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000111049944 186348076 /nfs/dbraw/zinc/34/80/76/186348076.db2.gz BMXWLAYSNMKUQZ-UHFFFAOYSA-N 1 0 279.340 2.501 20 5 CFBDRO CCOc1cc(NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000111049928 186348118 /nfs/dbraw/zinc/34/81/18/186348118.db2.gz OJXGGYBHGOFINX-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO C[NH+](C)C1(CNCc2csc([N+](=O)[O-])c2)CCCC1 ZINC000111158403 186362502 /nfs/dbraw/zinc/36/25/02/186362502.db2.gz TZPNZCSRGWVAHF-UHFFFAOYSA-N 1 0 283.397 2.620 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000601288637 350717708 /nfs/dbraw/zinc/71/77/08/350717708.db2.gz ACZAJBBDRISYQD-DGCLKSJQSA-N 1 0 266.341 2.797 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601289110 350717765 /nfs/dbraw/zinc/71/77/65/350717765.db2.gz IDVSZGMEFZFZNV-BXUZGUMPSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)C[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483878 350901891 /nfs/dbraw/zinc/90/18/91/350901891.db2.gz JMQMJBICVFJHQN-GFCCVEGCSA-N 1 0 280.372 2.586 20 5 CFBDRO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602595915 350939978 /nfs/dbraw/zinc/93/99/78/350939978.db2.gz ZDODYGQJQSEPDC-UHFFFAOYSA-N 1 0 261.281 2.768 20 5 CFBDRO CCOCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602520804 350913239 /nfs/dbraw/zinc/91/32/39/350913239.db2.gz MMQXUMZRZHWUKM-UHFFFAOYSA-N 1 0 293.323 2.642 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000602538315 350917594 /nfs/dbraw/zinc/91/75/94/350917594.db2.gz DZVFBDGWEGAPGZ-CABZTGNLSA-N 1 0 286.278 2.607 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602556365 350922850 /nfs/dbraw/zinc/92/28/50/350922850.db2.gz DMZZNXDANQRLLE-GXTWGEPZSA-N 1 0 280.368 2.524 20 5 CFBDRO COCCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602565120 350926541 /nfs/dbraw/zinc/92/65/41/350926541.db2.gz QFZLBNGIBYMWLD-UHFFFAOYSA-N 1 0 293.323 2.641 20 5 CFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCF)cc1Br ZINC000602565321 350926932 /nfs/dbraw/zinc/92/69/32/350926932.db2.gz AVWFOINCKAWOJT-UHFFFAOYSA-N 1 0 297.149 2.868 20 5 CFBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC[C@H]1O ZINC000602573593 350929488 /nfs/dbraw/zinc/92/94/88/350929488.db2.gz SOPUXMWYDUNZSO-CVEARBPZSA-N 1 0 292.379 2.668 20 5 CFBDRO CCC[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000602651627 350962262 /nfs/dbraw/zinc/96/22/62/350962262.db2.gz TZZMMDKTWROAIS-AWEZNQCLSA-N 1 0 280.368 2.884 20 5 CFBDRO CC/C=C/C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602676836 350973763 /nfs/dbraw/zinc/97/37/63/350973763.db2.gz SEKGVLKYNCLBMI-ONEGZZNKSA-N 1 0 290.367 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000602682980 350976405 /nfs/dbraw/zinc/97/64/05/350976405.db2.gz VSOQXVKOJYUECN-ZFWWWQNUSA-N 1 0 260.337 2.773 20 5 CFBDRO CC1(C)C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602688232 350979694 /nfs/dbraw/zinc/97/96/94/350979694.db2.gz PNPNVYNIJXSPCV-CQSZACIVSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000602707933 350992060 /nfs/dbraw/zinc/99/20/60/350992060.db2.gz CYKFDFHXRRGRMD-LBPRGKRZSA-N 1 0 270.279 2.772 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000602708868 350992136 /nfs/dbraw/zinc/99/21/36/350992136.db2.gz YWHDASHCHVZDCI-GFCCVEGCSA-N 1 0 252.289 2.571 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)nc2c1 ZINC000602719965 350998886 /nfs/dbraw/zinc/99/88/86/350998886.db2.gz UYABBUHHKZTLHF-WDAIWFPHSA-N 1 0 273.292 2.624 20 5 CFBDRO CC1(C)OCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602725474 351001482 /nfs/dbraw/zinc/00/14/82/351001482.db2.gz XSMZIEXTAFIGSZ-CYBMUJFWSA-N 1 0 278.352 2.542 20 5 CFBDRO Cn1cc(C[NH+]2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602611987 350945592 /nfs/dbraw/zinc/94/55/92/350945592.db2.gz PDUVVRBLLLMZMV-UHFFFAOYSA-N 1 0 280.372 2.586 20 5 CFBDRO CCOC1CC(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000602635060 350955569 /nfs/dbraw/zinc/95/55/69/350955569.db2.gz RWIXSPUHAJPPJB-UHFFFAOYSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602781046 351022830 /nfs/dbraw/zinc/02/28/30/351022830.db2.gz GOFSIWHBWDTYKD-CQSZACIVSA-N 1 0 280.372 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC12CCCCC2 ZINC000602797484 351029104 /nfs/dbraw/zinc/02/91/04/351029104.db2.gz WVCWWPYXSGDPOH-UHFFFAOYSA-N 1 0 292.383 2.898 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cnccn2)C2CC2)cc1 ZINC000602799252 351029117 /nfs/dbraw/zinc/02/91/17/351029117.db2.gz MRNKTNORAWGQIO-UHFFFAOYSA-N 1 0 298.346 2.592 20 5 CFBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000602807320 351032833 /nfs/dbraw/zinc/03/28/33/351032833.db2.gz XUHNIXCNTSYQCG-VXGBXAGGSA-N 1 0 288.351 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000602804812 351033001 /nfs/dbraw/zinc/03/30/01/351033001.db2.gz LNJBJTZHGMAUHD-IUODEOHRSA-N 1 0 292.383 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000602831963 351039739 /nfs/dbraw/zinc/03/97/39/351039739.db2.gz MVTGPTRHNQZFLK-OLZOCXBDSA-N 1 0 292.383 2.610 20 5 CFBDRO C[C@@H]1OCC[C@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602842431 351042751 /nfs/dbraw/zinc/04/27/51/351042751.db2.gz VECWPPOHQSBVAU-RYUDHWBXSA-N 1 0 278.352 2.845 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000602843669 351043325 /nfs/dbraw/zinc/04/33/25/351043325.db2.gz WVEBSJBWQVGPFN-FZMZJTMJSA-N 1 0 280.372 2.658 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602883537 351057585 /nfs/dbraw/zinc/05/75/85/351057585.db2.gz NRDPRSDBOANIPC-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO Cn1cc(C2=CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000602889391 351058172 /nfs/dbraw/zinc/05/81/72/351058172.db2.gz VRRHNHQFYLNFDT-UHFFFAOYSA-N 1 0 298.346 2.618 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1CCCCC1 ZINC000602755240 351014948 /nfs/dbraw/zinc/01/49/48/351014948.db2.gz BYLBLFIEPZDCCZ-UHFFFAOYSA-N 1 0 280.372 2.612 20 5 CFBDRO C[C@@](CO)([NH2+]CCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000602962348 351073306 /nfs/dbraw/zinc/07/33/06/351073306.db2.gz JQRSSJZRRQQYFY-AWEZNQCLSA-N 1 0 284.331 2.532 20 5 CFBDRO CC[C@@]1(O)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000602982246 351083531 /nfs/dbraw/zinc/08/35/31/351083531.db2.gz PMTSZOUVKJCMDI-IUODEOHRSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602997667 351088070 /nfs/dbraw/zinc/08/80/70/351088070.db2.gz OPTZLXAQQMBLEN-PMPSAXMXSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997050 351088461 /nfs/dbraw/zinc/08/84/61/351088461.db2.gz BESQLPADJXSFJO-KBMXLJTQSA-N 1 0 290.363 2.720 20 5 CFBDRO CC(C)(C)CC[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603942682 351192943 /nfs/dbraw/zinc/19/29/43/351192943.db2.gz FKMHUJMSURAIIC-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CCCC[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000604466758 351213815 /nfs/dbraw/zinc/21/38/15/351213815.db2.gz NRKUCISOEXLNMV-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000609385887 351499746 /nfs/dbraw/zinc/49/97/46/351499746.db2.gz GMEIDIMZQSVJAZ-AWEZNQCLSA-N 1 0 277.368 2.557 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000609560661 351507144 /nfs/dbraw/zinc/50/71/44/351507144.db2.gz FYVMFRGOYIXNSU-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO COc1ccc(C[NH2+]Cc2cccnc2C)cc1[N+](=O)[O-] ZINC000609140478 351487033 /nfs/dbraw/zinc/48/70/33/351487033.db2.gz HRVPDPKGNQWQBY-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610133299 351535701 /nfs/dbraw/zinc/53/57/01/351535701.db2.gz BOSMICVGOUJZAO-RYUDHWBXSA-N 1 0 264.325 2.704 20 5 CFBDRO Cc1ccnc(Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000609670276 351515237 /nfs/dbraw/zinc/51/52/37/351515237.db2.gz DCPULHARBNPIDM-UHFFFAOYSA-N 1 0 296.290 2.623 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000610762795 351605440 /nfs/dbraw/zinc/60/54/40/351605440.db2.gz WXXRSLIFLIRATH-NEPJUHHUSA-N 1 0 262.309 2.588 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000610804164 351610573 /nfs/dbraw/zinc/61/05/73/351610573.db2.gz FXYBPKLEQBAZNM-QWHCGFSZSA-N 1 0 277.368 2.648 20 5 CFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000611202983 351651373 /nfs/dbraw/zinc/65/13/73/351651373.db2.gz XBTGOOILEHKGQI-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000611256566 351659258 /nfs/dbraw/zinc/65/92/58/351659258.db2.gz GPJBXPQMTHWCKK-AWEZNQCLSA-N 1 0 278.352 2.762 20 5 CFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412736 351686204 /nfs/dbraw/zinc/68/62/04/351686204.db2.gz HYNYSCIWQYRGFE-LBPRGKRZSA-N 1 0 295.408 2.824 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000611470232 351694242 /nfs/dbraw/zinc/69/42/42/351694242.db2.gz PJQBOHQNPXJYPA-QWRGUYRKSA-N 1 0 266.341 2.713 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000611515573 351702809 /nfs/dbraw/zinc/70/28/09/351702809.db2.gz FGHQLPGLZMPFQT-CYBMUJFWSA-N 1 0 276.336 2.978 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611792870 351741166 /nfs/dbraw/zinc/74/11/66/351741166.db2.gz RKEKUJLBIRALCF-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H](OC(F)F)C1 ZINC000611576775 351710902 /nfs/dbraw/zinc/71/09/02/351710902.db2.gz DNLYYNBPIMODLX-NSHDSACASA-N 1 0 286.278 2.798 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611616555 351714347 /nfs/dbraw/zinc/71/43/47/351714347.db2.gz ZRHRHMGEDMBYPQ-CYBMUJFWSA-N 1 0 292.383 2.893 20 5 CFBDRO COC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000612482579 351826170 /nfs/dbraw/zinc/82/61/70/351826170.db2.gz KETVXZHVJUBHOQ-HNNXBMFYSA-N 1 0 296.367 2.624 20 5 CFBDRO CC[C@@H](CO)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000122194639 187020109 /nfs/dbraw/zinc/02/01/09/187020109.db2.gz DVCATYOYCGPWIJ-JTQLQIEISA-N 1 0 275.308 2.634 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC(C)C ZINC000612574922 351837706 /nfs/dbraw/zinc/83/77/06/351837706.db2.gz ZJTQVQRXKLYRPE-LBPRGKRZSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000123137368 187073414 /nfs/dbraw/zinc/07/34/14/187073414.db2.gz IHOFSRZHECKZOR-OAHLLOKOSA-N 1 0 288.351 2.612 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122708088 187047134 /nfs/dbraw/zinc/04/71/34/187047134.db2.gz RDAXKOJEQYCRMH-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000123416674 187090464 /nfs/dbraw/zinc/09/04/64/187090464.db2.gz ISACEIFOFMFHRL-RYUDHWBXSA-N 1 0 264.325 2.846 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000123416888 187090695 /nfs/dbraw/zinc/09/06/95/187090695.db2.gz ISACEIFOFMFHRL-VXGBXAGGSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000123627736 187101830 /nfs/dbraw/zinc/10/18/30/187101830.db2.gz KOPFFGZULKNFOD-JSGCOSHPSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123807285 187109955 /nfs/dbraw/zinc/10/99/55/187109955.db2.gz AVGOURUPFDPWLP-OCCSQVGLSA-N 1 0 277.368 2.509 20 5 CFBDRO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C[NH+](C)C ZINC000291972584 198121814 /nfs/dbraw/zinc/12/18/14/198121814.db2.gz WHCBKUUHTGGTIX-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@@H](Cc1ccncc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000613617035 351988144 /nfs/dbraw/zinc/98/81/44/351988144.db2.gz HZASXYVCXNTVGK-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ccsc1[N+](=O)[O-] ZINC000614982755 352139895 /nfs/dbraw/zinc/13/98/95/352139895.db2.gz MCCRURYAAVLAHY-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000271534301 191197868 /nfs/dbraw/zinc/19/78/68/191197868.db2.gz QBXYOACUHPDPHS-GZMMTYOYSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000271534306 191197936 /nfs/dbraw/zinc/19/79/36/191197936.db2.gz QBXYOACUHPDPHS-KCJUWKMLSA-N 1 0 292.257 2.559 20 5 CFBDRO COCCC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271529607 191193794 /nfs/dbraw/zinc/19/37/94/191193794.db2.gz PIAPZYIFHVXZSP-GFCCVEGCSA-N 1 0 266.341 2.542 20 5 CFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561409 191212008 /nfs/dbraw/zinc/21/20/08/191212008.db2.gz PTBAXYRFTJRYKP-RYUDHWBXSA-N 1 0 291.351 2.796 20 5 CFBDRO CCOc1cc(C[NH2+][C@]2(CC)CCOC2)ccc1[N+](=O)[O-] ZINC000617228057 352521347 /nfs/dbraw/zinc/52/13/47/352521347.db2.gz QVXNXOKBJSJGCI-OAHLLOKOSA-N 1 0 294.351 2.652 20 5 CFBDRO CCCCOCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134445118 187750137 /nfs/dbraw/zinc/75/01/37/187750137.db2.gz MGOVFRWYQDVFLE-UHFFFAOYSA-N 1 0 296.367 2.900 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000617491721 352572048 /nfs/dbraw/zinc/57/20/48/352572048.db2.gz QKOVMHNPVRTOLK-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000618197809 352736659 /nfs/dbraw/zinc/73/66/59/352736659.db2.gz AJVPSZVABCRVCE-HNNXBMFYSA-N 1 0 298.342 2.948 20 5 CFBDRO CC(C)([NH2+]C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000292218565 198206497 /nfs/dbraw/zinc/20/64/97/198206497.db2.gz UUMHQWGZWAHBEO-LLVKDONJSA-N 1 0 264.325 2.599 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000152515630 188025183 /nfs/dbraw/zinc/02/51/83/188025183.db2.gz DDGUUBFBOQHZGQ-VIFPVBQESA-N 1 0 250.298 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000153131818 188067198 /nfs/dbraw/zinc/06/71/98/188067198.db2.gz MSCQCWGYSKXJPU-QWRGUYRKSA-N 1 0 264.300 2.966 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CC)cc1[N+](=O)[O-] ZINC000153668870 188096288 /nfs/dbraw/zinc/09/62/88/188096288.db2.gz UGSMFSJDPFZEIC-ABAIWWIYSA-N 1 0 296.367 2.805 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000153818985 188105071 /nfs/dbraw/zinc/10/50/71/188105071.db2.gz CIDOCVJCXGQAFC-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO Cc1cc(C)n(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271670706 191269354 /nfs/dbraw/zinc/26/93/54/191269354.db2.gz AXYFRNRLVTZQLZ-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153905786 188110658 /nfs/dbraw/zinc/11/06/58/188110658.db2.gz REYQMSPZHZJCDT-GHMZBOCLSA-N 1 0 298.774 2.928 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000295166206 199382567 /nfs/dbraw/zinc/38/25/67/199382567.db2.gz NTWKNTJUTWUTEC-UHFFFAOYSA-N 1 0 287.319 2.501 20 5 CFBDRO CC1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154265160 188132536 /nfs/dbraw/zinc/13/25/36/188132536.db2.gz OWFIKCBRSTYPMH-AWEZNQCLSA-N 1 0 278.352 2.750 20 5 CFBDRO C[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000157600286 188327353 /nfs/dbraw/zinc/32/73/53/188327353.db2.gz MVQRWIYWGAVIID-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCC2)n1 ZINC000157899483 188345413 /nfs/dbraw/zinc/34/54/13/188345413.db2.gz QWXFGFLPQVITSX-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000567853677 290500179 /nfs/dbraw/zinc/50/01/79/290500179.db2.gz KLZSMQGTBOVJDF-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1ncc(C)cc1[N+](=O)[O-] ZINC000359238704 283236907 /nfs/dbraw/zinc/23/69/07/283236907.db2.gz ZRMDFIGTMHTBJR-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO C[NH+](C)Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294455551 199046062 /nfs/dbraw/zinc/04/60/62/199046062.db2.gz NNBSPPYEABEQCP-UHFFFAOYSA-N 1 0 293.367 2.522 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC000285753202 291127492 /nfs/dbraw/zinc/12/74/92/291127492.db2.gz YYARNASSQJQMDX-ZFWWWQNUSA-N 1 0 289.379 2.653 20 5 CFBDRO CC(C)(CO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294771253 199174885 /nfs/dbraw/zinc/17/48/85/199174885.db2.gz KDOUHKHYTBAMSZ-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccnc1N)c1cccc([N+](=O)[O-])c1 ZINC000294867880 199221628 /nfs/dbraw/zinc/22/16/28/199221628.db2.gz ATLBIDSWTCLTFB-AWEZNQCLSA-N 1 0 286.335 2.813 20 5 CFBDRO Cc1cccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289544 236601184 /nfs/dbraw/zinc/60/11/84/236601184.db2.gz TWZRXOZCJFJWPM-NEPJUHHUSA-N 1 0 263.341 2.833 20 5 CFBDRO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000296829387 200008806 /nfs/dbraw/zinc/00/88/06/200008806.db2.gz WHMLGEMFRPYWCN-WFASDCNBSA-N 1 0 294.351 2.789 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916814 237346013 /nfs/dbraw/zinc/34/60/13/237346013.db2.gz BOAUYHSHBGNUTE-DYEKYZERSA-N 1 0 277.368 2.694 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+](C)CC1 ZINC000297711112 200266504 /nfs/dbraw/zinc/26/65/04/200266504.db2.gz BJFHXHKFAIIMHO-ZDUSSCGKSA-N 1 0 277.368 2.602 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000177907691 189078503 /nfs/dbraw/zinc/07/85/03/189078503.db2.gz NYXSHNAERDONJO-JQWIXIFHSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000177930713 189080127 /nfs/dbraw/zinc/08/01/27/189080127.db2.gz VCZQQBHHSRXNRQ-RYUDHWBXSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000178163901 189094618 /nfs/dbraw/zinc/09/46/18/189094618.db2.gz PMICOLMWPJHRGT-GFCCVEGCSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000178249359 189100384 /nfs/dbraw/zinc/10/03/84/189100384.db2.gz JGCHYEUBKCSVNU-NEPJUHHUSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000178431158 189115979 /nfs/dbraw/zinc/11/59/79/189115979.db2.gz UHQBWRQKSDQHKB-KBPBESRZSA-N 1 0 292.379 2.932 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178551274 189126303 /nfs/dbraw/zinc/12/63/03/189126303.db2.gz ZLTGCLOCMWULNM-HZMBPMFUSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000301424565 201003148 /nfs/dbraw/zinc/00/31/48/201003148.db2.gz OOZUUUPPLRLYID-FZMZJTMJSA-N 1 0 295.358 2.900 20 5 CFBDRO CCOCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183090419 189346354 /nfs/dbraw/zinc/34/63/54/189346354.db2.gz UWDBJSXXSSREQY-GFCCVEGCSA-N 1 0 266.341 2.933 20 5 CFBDRO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183362119 189356677 /nfs/dbraw/zinc/35/66/77/189356677.db2.gz CZZASAAVEWNLJS-UHFFFAOYSA-N 1 0 292.379 2.888 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185499305 189415502 /nfs/dbraw/zinc/41/55/02/189415502.db2.gz HQFMDMIJYWZSCA-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000302039798 201314178 /nfs/dbraw/zinc/31/41/78/201314178.db2.gz VZZALARMBNUXAG-ZJUUUORDSA-N 1 0 269.370 2.941 20 5 CFBDRO CC[N@H+](C)CCNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000302047537 201318199 /nfs/dbraw/zinc/31/81/99/201318199.db2.gz YWTKXEVKJNXVLL-UHFFFAOYSA-N 1 0 288.351 2.815 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CC=C(C)CC1 ZINC000302144552 201363076 /nfs/dbraw/zinc/36/30/76/201363076.db2.gz IQNFCZDOAKEBQH-UHFFFAOYSA-N 1 0 275.352 2.967 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186492816 189440981 /nfs/dbraw/zinc/44/09/81/189440981.db2.gz VFERCPILQUENJU-BBZUXEQDSA-N 1 0 278.352 2.963 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426461166 239225271 /nfs/dbraw/zinc/22/52/71/239225271.db2.gz PJAKPOIAVIBFCB-STQMWFEESA-N 1 0 276.336 2.848 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000432368933 239994929 /nfs/dbraw/zinc/99/49/29/239994929.db2.gz OUYUWCPOPQVKLL-HRLNJXSSSA-N 1 0 276.336 2.623 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000432413041 240002178 /nfs/dbraw/zinc/00/21/78/240002178.db2.gz FKEZXSTYYCPENF-DNOWBOINSA-N 1 0 292.379 2.667 20 5 CFBDRO CC1(C)CCC[N@H+](CCNc2ncccc2[N+](=O)[O-])C1 ZINC000443942619 241097363 /nfs/dbraw/zinc/09/73/63/241097363.db2.gz DDMOZMZYCGREMU-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000252884113 299365103 /nfs/dbraw/zinc/36/51/03/299365103.db2.gz WAMSNLOFSCXRQH-NILFDRSVSA-N 1 0 278.352 2.939 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCOC1)CCC2 ZINC000447600384 241392362 /nfs/dbraw/zinc/39/23/62/241392362.db2.gz MFJYTPWZBMKBFG-WBMJQRKESA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@]1(C)CO ZINC000449174838 241745010 /nfs/dbraw/zinc/74/50/10/241745010.db2.gz NDDUQFWVKYTCQH-UHOFOFEASA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C ZINC000449194163 241758102 /nfs/dbraw/zinc/75/81/02/241758102.db2.gz OQKSDCAHZDAHHV-MBNYWOFBSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cs1 ZINC000449317847 241843315 /nfs/dbraw/zinc/84/33/15/241843315.db2.gz DVISIBDJIYIPMC-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCC1(C)C ZINC000449621693 242068688 /nfs/dbraw/zinc/06/86/88/242068688.db2.gz ACOZLSURTLYQPG-DOMZBBRYSA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449633535 242080940 /nfs/dbraw/zinc/08/09/40/242080940.db2.gz UMDSEHKVALLXNA-HSMVNMDESA-N 1 0 292.379 2.929 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000449681250 242103710 /nfs/dbraw/zinc/10/37/10/242103710.db2.gz IPTSIUJYNWXPNR-ZDUSSCGKSA-N 1 0 278.352 2.810 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCOC1 ZINC000449690397 242110543 /nfs/dbraw/zinc/11/05/43/242110543.db2.gz PEEAFMLPGRWVKE-ZIAGYGMSSA-N 1 0 292.379 2.932 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450212656 242309549 /nfs/dbraw/zinc/30/95/49/242309549.db2.gz DTXVRJZCQCWCLP-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[NH+](C)CCSc1nccc2c1cccc2[N+](=O)[O-] ZINC000450382754 242389360 /nfs/dbraw/zinc/38/93/60/242389360.db2.gz YIDMZABMADAFCM-UHFFFAOYSA-N 1 0 277.349 2.797 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000275894944 193157208 /nfs/dbraw/zinc/15/72/08/193157208.db2.gz QTNNZOFNVAVRJE-HDJSIYSDSA-N 1 0 278.352 2.639 20 5 CFBDRO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275974462 193177749 /nfs/dbraw/zinc/17/77/49/193177749.db2.gz MAJXFSABONEWND-KEDPEKRHSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191827097 299390988 /nfs/dbraw/zinc/39/09/88/299390988.db2.gz PVJAUIXTAWBKHO-UHIISALHSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H]1C[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614982 203040944 /nfs/dbraw/zinc/04/09/44/203040944.db2.gz UATVQIIBKWCKKB-KBPBESRZSA-N 1 0 292.379 2.884 20 5 CFBDRO CN(C)CC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000453597807 243613799 /nfs/dbraw/zinc/61/37/99/243613799.db2.gz MYNWQIMRMRSIAI-VQHVLOKHSA-N 1 0 277.368 2.538 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276188321 193237137 /nfs/dbraw/zinc/23/71/37/193237137.db2.gz GQBNDIFJMZXBKE-UHFFFAOYSA-N 1 0 296.367 2.634 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276473003 193345222 /nfs/dbraw/zinc/34/52/22/193345222.db2.gz QSYFQUMHSKWEAM-LBPRGKRZSA-N 1 0 278.352 2.720 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000459654232 245260914 /nfs/dbraw/zinc/26/09/14/245260914.db2.gz YVSPEZBOSRMIIM-BETUJISGSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459774818 245317830 /nfs/dbraw/zinc/31/78/30/245317830.db2.gz JJCRLUIIQKVXQZ-FRRDWIJNSA-N 1 0 276.336 2.752 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC000019988964 372219462 /nfs/dbraw/zinc/21/94/62/372219462.db2.gz DUNLCHFOAYSPAF-UHFFFAOYSA-N 1 0 251.330 2.595 20 5 CFBDRO CCC[C@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091903 372229232 /nfs/dbraw/zinc/22/92/32/372229232.db2.gz BXJRGYVUFJRAEI-HNNXBMFYSA-N 1 0 279.384 2.977 20 5 CFBDRO CN(C)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000020122410 372235605 /nfs/dbraw/zinc/23/56/05/372235605.db2.gz WBDRAICIYZWQOV-AWEZNQCLSA-N 1 0 289.335 2.580 20 5 CFBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023991737 372268264 /nfs/dbraw/zinc/26/82/64/372268264.db2.gz HUQPEEHUBVJDCR-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035056247 372535491 /nfs/dbraw/zinc/53/54/91/372535491.db2.gz OCBBVYUMKUNZPL-UHFFFAOYSA-N 1 0 251.330 2.657 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000034369401 372507656 /nfs/dbraw/zinc/50/76/56/372507656.db2.gz CIEYFYJYDRPVNE-UHFFFAOYSA-N 1 0 286.331 2.589 20 5 CFBDRO CCOCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036228843 372568157 /nfs/dbraw/zinc/56/81/57/372568157.db2.gz DYZPHRAKNJXFEG-CYBMUJFWSA-N 1 0 252.314 2.672 20 5 CFBDRO CC[N@@H+]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037644324 372681221 /nfs/dbraw/zinc/68/12/21/372681221.db2.gz SCNIPCIXVAKVMT-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000037775527 372706199 /nfs/dbraw/zinc/70/61/99/372706199.db2.gz VFZBLZMQFGKAJR-MWLCHTKSSA-N 1 0 252.339 2.751 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C1CC1)C1CC1 ZINC000042335805 372908566 /nfs/dbraw/zinc/90/85/66/372908566.db2.gz QESAEMMLTBDKPF-UHFFFAOYSA-N 1 0 276.336 2.882 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000048947801 373235434 /nfs/dbraw/zinc/23/54/34/373235434.db2.gz LYKUMFFCOGSXRQ-LLVKDONJSA-N 1 0 284.743 2.859 20 5 CFBDRO CC[N@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000049937515 373331801 /nfs/dbraw/zinc/33/18/01/373331801.db2.gz IYRPDCNTNZZHPF-UHFFFAOYSA-N 1 0 291.273 2.977 20 5 CFBDRO CC(C)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000049970654 373338463 /nfs/dbraw/zinc/33/84/63/373338463.db2.gz KUQSNDRQVVDXMG-CQSZACIVSA-N 1 0 291.395 2.929 20 5 CFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC000051740884 373408881 /nfs/dbraw/zinc/40/88/81/373408881.db2.gz SVJAEZXFNQJOLQ-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO COCCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051455067 373398206 /nfs/dbraw/zinc/39/82/06/373398206.db2.gz CHUWOPFGUYFHGP-LLVKDONJSA-N 1 0 252.314 2.624 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054128049 373499439 /nfs/dbraw/zinc/49/94/39/373499439.db2.gz VUJAZBXEQRPGHU-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196098 373562998 /nfs/dbraw/zinc/56/29/98/373562998.db2.gz FVYWDQNEVWPZEM-SRVKXCTJSA-N 1 0 293.367 2.549 20 5 CFBDRO COc1ccc(C[N@H+](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000061164243 373713402 /nfs/dbraw/zinc/71/34/02/373713402.db2.gz QPPCZVBODOUXKN-UHFFFAOYSA-N 1 0 264.325 2.976 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351196 373759750 /nfs/dbraw/zinc/75/97/50/373759750.db2.gz KDDQYNLOPMCNJR-JMSVASOKSA-N 1 0 278.352 2.606 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncs1 ZINC000289539483 197395340 /nfs/dbraw/zinc/39/53/40/197395340.db2.gz QKEFNKANLZQEAE-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000067948943 374017080 /nfs/dbraw/zinc/01/70/80/374017080.db2.gz SPYQHEAZZMKVEF-LLVKDONJSA-N 1 0 267.304 2.630 20 5 CFBDRO CCCC[N@H+](CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000068853046 374040971 /nfs/dbraw/zinc/04/09/71/374040971.db2.gz LEOGCSWPMOOYEO-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361293 374169985 /nfs/dbraw/zinc/16/99/85/374169985.db2.gz UUSLLWVQHFKOKU-LBPRGKRZSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C ZINC000072874412 374297617 /nfs/dbraw/zinc/29/76/17/374297617.db2.gz VRKFCGXGISXWGI-LBPRGKRZSA-N 1 0 291.351 2.716 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287516 374411636 /nfs/dbraw/zinc/41/16/36/374411636.db2.gz CPKCEYZBNYPJOH-CVEARBPZSA-N 1 0 292.379 2.763 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000079618944 374622942 /nfs/dbraw/zinc/62/29/42/374622942.db2.gz OQJCWBHSYGNHCV-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000080524059 374658794 /nfs/dbraw/zinc/65/87/94/374658794.db2.gz KXPDGLLQEFCWEY-ZDUSSCGKSA-N 1 0 280.368 2.792 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCSCC2)cc1 ZINC000089985592 374982643 /nfs/dbraw/zinc/98/26/43/374982643.db2.gz OVRDNIMCTTXGLG-UHFFFAOYSA-N 1 0 266.366 2.576 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090514111 375017982 /nfs/dbraw/zinc/01/79/82/375017982.db2.gz PWXJNRUSYJTCIK-JOOBJXAISA-N 1 0 298.408 2.711 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)s1 ZINC000090537831 375020036 /nfs/dbraw/zinc/02/00/36/375020036.db2.gz UPFRZIZCBINSKN-SNVBAGLBSA-N 1 0 294.380 2.820 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092623054 375131188 /nfs/dbraw/zinc/13/11/88/375131188.db2.gz AJOQLADCACLKRQ-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cc(NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000092649047 375135727 /nfs/dbraw/zinc/13/57/27/375135727.db2.gz AGDHRPBPAJYZAE-UHFFFAOYSA-N 1 0 251.330 2.703 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093337603 375215014 /nfs/dbraw/zinc/21/50/14/375215014.db2.gz QCAGSBCREHBACK-AWEZNQCLSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094472678 375363599 /nfs/dbraw/zinc/36/35/99/375363599.db2.gz YPJFWJBRCUNIPY-KOLCDFICSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000094473072 375363720 /nfs/dbraw/zinc/36/37/20/375363720.db2.gz VWTVNKQRZKTVHV-MWLCHTKSSA-N 1 0 252.339 2.578 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCCC1 ZINC000101590304 375645029 /nfs/dbraw/zinc/64/50/29/375645029.db2.gz IIKUTJYQPZDTGY-UHFFFAOYSA-N 1 0 250.298 2.589 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510140572 247195876 /nfs/dbraw/zinc/19/58/76/247195876.db2.gz SRFYFJFQXYAMQC-OKILXGFUSA-N 1 0 294.351 2.603 20 5 CFBDRO CCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113311683 376009319 /nfs/dbraw/zinc/00/93/19/376009319.db2.gz GKGMGDLGBQPHPF-UHFFFAOYSA-N 1 0 288.351 2.885 20 5 CFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118842505 376319135 /nfs/dbraw/zinc/31/91/35/376319135.db2.gz GKYCXYICIJBVAK-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264235975 383714025 /nfs/dbraw/zinc/71/40/25/383714025.db2.gz DDATWYRVJLGJLI-HZMBPMFUSA-N 1 0 292.335 2.740 20 5 CFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000120019344 376529667 /nfs/dbraw/zinc/52/96/67/376529667.db2.gz JGGKHLCHPPNTRU-GFCCVEGCSA-N 1 0 252.339 2.532 20 5 CFBDRO CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000120071167 376541541 /nfs/dbraw/zinc/54/15/41/376541541.db2.gz WLIGBIUHQYIQHF-UHFFFAOYSA-N 1 0 288.307 2.629 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264235979 383714215 /nfs/dbraw/zinc/71/42/15/383714215.db2.gz DDATWYRVJLGJLI-QMTHXVAHSA-N 1 0 292.335 2.740 20 5 CFBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900527 376720181 /nfs/dbraw/zinc/72/01/81/376720181.db2.gz YFUBGVMOICRPAW-GXTWGEPZSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123606247 376961538 /nfs/dbraw/zinc/96/15/38/376961538.db2.gz ZNXXPJCGUUGXDV-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000451823571 383717827 /nfs/dbraw/zinc/71/78/27/383717827.db2.gz NRSQBCZGHUSMGY-ZDUSSCGKSA-N 1 0 291.395 2.819 20 5 CFBDRO CC(C)([NH2+]CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000127767868 377302526 /nfs/dbraw/zinc/30/25/26/377302526.db2.gz XFMBEBBOEBXNKE-UHFFFAOYSA-N 1 0 276.336 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000129636791 377454025 /nfs/dbraw/zinc/45/40/25/377454025.db2.gz BDUHQGMWPRSZFF-CYBMUJFWSA-N 1 0 292.383 2.688 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[NH+]1CCCCC1 ZINC000129775240 377472098 /nfs/dbraw/zinc/47/20/98/377472098.db2.gz HXTPCPIHSKQHMY-UHFFFAOYSA-N 1 0 284.747 2.541 20 5 CFBDRO C[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000130355157 377542945 /nfs/dbraw/zinc/54/29/45/377542945.db2.gz PUAQCUYGFTTYPJ-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000130312190 377536165 /nfs/dbraw/zinc/53/61/65/377536165.db2.gz FOHATEJXKCACTF-GXSJLCMTSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000131289996 377688881 /nfs/dbraw/zinc/68/88/81/377688881.db2.gz OJBAYNPKEVPNLW-BXUZGUMPSA-N 1 0 266.341 2.571 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131921657 377777857 /nfs/dbraw/zinc/77/78/57/377777857.db2.gz NDUBLXFMVIKVLQ-ONGXEEELSA-N 1 0 252.314 2.589 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)C(C)(C)C ZINC000134435055 378015420 /nfs/dbraw/zinc/01/54/20/378015420.db2.gz UKIIYOAWAPNARU-ZDUSSCGKSA-N 1 0 284.331 2.573 20 5 CFBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135336949 378120073 /nfs/dbraw/zinc/12/00/73/378120073.db2.gz TVLKDGYZLFLEQT-QWHCGFSZSA-N 1 0 280.372 2.692 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135467713 378135703 /nfs/dbraw/zinc/13/57/03/378135703.db2.gz SYQHGJNFFQRCKZ-ZJUUUORDSA-N 1 0 254.355 2.997 20 5 CFBDRO CSC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135467735 378136730 /nfs/dbraw/zinc/13/67/30/378136730.db2.gz SYQHGJNFFQRCKZ-VHSXEESVSA-N 1 0 254.355 2.997 20 5 CFBDRO Cc1c(C[NH2+]C2CCSCC2)cccc1[N+](=O)[O-] ZINC000136396124 378199399 /nfs/dbraw/zinc/19/93/99/378199399.db2.gz RYFNMVLDFJTBBG-UHFFFAOYSA-N 1 0 266.366 2.888 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152732165 378441509 /nfs/dbraw/zinc/44/15/09/378441509.db2.gz KVGVRPSHTXMBPI-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152791797 378448668 /nfs/dbraw/zinc/44/86/68/378448668.db2.gz ROSHUNWWTLZEIR-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000153101249 378472998 /nfs/dbraw/zinc/47/29/98/378472998.db2.gz VQEUOOZZSRCVGZ-WCQYABFASA-N 1 0 264.325 2.733 20 5 CFBDRO CC(C)OCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073843 378471904 /nfs/dbraw/zinc/47/19/04/378471904.db2.gz VVDOYFUTLPOWDH-UHFFFAOYSA-N 1 0 278.352 2.768 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)CCO)cc1[N+](=O)[O-] ZINC000153936309 378525005 /nfs/dbraw/zinc/52/50/05/378525005.db2.gz VVJACBZTTLNMEK-YPMHNXCESA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330368048 378537923 /nfs/dbraw/zinc/53/79/23/378537923.db2.gz KACUSLSIYVTRMW-MWLCHTKSSA-N 1 0 295.314 2.870 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330498925 378571267 /nfs/dbraw/zinc/57/12/67/378571267.db2.gz FDSBUUNIOJZZJY-GFCCVEGCSA-N 1 0 264.325 2.978 20 5 CFBDRO COc1ccc(C[NH2+]C2(C)CCC2)cc1[N+](=O)[O-] ZINC000159924747 378739362 /nfs/dbraw/zinc/73/93/62/378739362.db2.gz FLOJSJQJINGBLX-UHFFFAOYSA-N 1 0 250.298 2.636 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159520571 378713648 /nfs/dbraw/zinc/71/36/48/378713648.db2.gz WZFLAJOGDMMLNA-KKUMJFAQSA-N 1 0 288.347 2.642 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160754539 378796741 /nfs/dbraw/zinc/79/67/41/378796741.db2.gz WEQJSGLLYOPVIN-ZBFHGGJFSA-N 1 0 290.363 2.722 20 5 CFBDRO CC(C)OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922080 378997381 /nfs/dbraw/zinc/99/73/81/378997381.db2.gz WGFHHUVDHATBEK-NSHDSACASA-N 1 0 252.314 2.670 20 5 CFBDRO CC(C)OCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000164199929 379009806 /nfs/dbraw/zinc/00/98/06/379009806.db2.gz UXBSVAAFUQIAIC-NSHDSACASA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278605009 194065371 /nfs/dbraw/zinc/06/53/71/194065371.db2.gz GAPDMCIGPLZHTR-NXEZZACHSA-N 1 0 276.340 2.995 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856279 194184629 /nfs/dbraw/zinc/18/46/29/194184629.db2.gz VYXAUXOPFJWCDJ-XHDPSFHLSA-N 1 0 278.352 2.580 20 5 CFBDRO CC(C)[N@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000171145789 379245137 /nfs/dbraw/zinc/24/51/37/379245137.db2.gz ZJADTHSJBNNABN-UHFFFAOYSA-N 1 0 280.368 2.968 20 5 CFBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000171682099 379371203 /nfs/dbraw/zinc/37/12/03/379371203.db2.gz HXXWRNLEPVQOIG-UHFFFAOYSA-N 1 0 292.335 2.836 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCC1CCC1 ZINC000571895027 383737448 /nfs/dbraw/zinc/73/74/48/383737448.db2.gz OWLHMRJAWOOBBZ-OAHLLOKOSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279004772 194247768 /nfs/dbraw/zinc/24/77/68/194247768.db2.gz GGEXBMIJLZJJAB-NHYWBVRUSA-N 1 0 292.379 2.925 20 5 CFBDRO CC(C)(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174866136 379953022 /nfs/dbraw/zinc/95/30/22/379953022.db2.gz BADYLNFAULLCNJ-ZDUSSCGKSA-N 1 0 294.399 2.940 20 5 CFBDRO C[C@H](c1ccccc1F)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211749 380196138 /nfs/dbraw/zinc/19/61/38/380196138.db2.gz BSCCKULIEZGVDV-LLVKDONJSA-N 1 0 292.314 2.623 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178668151 380474959 /nfs/dbraw/zinc/47/49/59/380474959.db2.gz VWBWWGOKMIFPIH-WFASDCNBSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000179395027 380539624 /nfs/dbraw/zinc/53/96/24/380539624.db2.gz HMHWXKIOJPIKMA-LVDDQXARSA-N 1 0 276.336 2.719 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000452115824 383747516 /nfs/dbraw/zinc/74/75/16/383747516.db2.gz MFNNIXQTDWGLFC-MRXNPFEDSA-N 1 0 291.395 2.552 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000180192480 380630153 /nfs/dbraw/zinc/63/01/53/380630153.db2.gz YKYJVZQPKZSNDD-OAHLLOKOSA-N 1 0 278.352 2.675 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCO)c2ccccc2)c1 ZINC000179969080 380603612 /nfs/dbraw/zinc/60/36/12/380603612.db2.gz FFDHAHHLARNVAT-MRXNPFEDSA-N 1 0 286.331 2.656 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000336814765 380676110 /nfs/dbraw/zinc/67/61/10/380676110.db2.gz XZADKRCGLQOZBX-UHFFFAOYSA-N 1 0 269.320 2.734 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000181455387 380797714 /nfs/dbraw/zinc/79/77/14/380797714.db2.gz ZHGJPVYGQMBTEZ-CYBMUJFWSA-N 1 0 284.331 2.621 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCC(=O)CC1 ZINC000295342105 380798848 /nfs/dbraw/zinc/79/88/48/380798848.db2.gz NDMNSXQBMDUUFX-UHFFFAOYSA-N 1 0 290.363 2.828 20 5 CFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353942597 380975234 /nfs/dbraw/zinc/97/52/34/380975234.db2.gz GMNADYNINCVDBW-KBPBESRZSA-N 1 0 278.352 2.890 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000182070116 380982134 /nfs/dbraw/zinc/98/21/34/380982134.db2.gz DPQLEGPBQJVICD-LBPRGKRZSA-N 1 0 284.743 2.859 20 5 CFBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347101540 380939684 /nfs/dbraw/zinc/93/96/84/380939684.db2.gz KXCTUALUYAJWHA-NSHDSACASA-N 1 0 289.335 2.634 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC23CCCCCC3)c1 ZINC000368404060 381014056 /nfs/dbraw/zinc/01/40/56/381014056.db2.gz UGPAQYLWDSFEJD-UHFFFAOYSA-N 1 0 292.383 2.980 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000289609987 381065480 /nfs/dbraw/zinc/06/54/80/381065480.db2.gz VRLUMEJHTWWBOV-UHFFFAOYSA-N 1 0 260.293 2.862 20 5 CFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411951129 381068947 /nfs/dbraw/zinc/06/89/47/381068947.db2.gz PRTAKZNKSYALKC-ABAIWWIYSA-N 1 0 278.352 2.888 20 5 CFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000411952576 381069084 /nfs/dbraw/zinc/06/90/84/381069084.db2.gz REIBVZYUMXZTOQ-RNCFNFMXSA-N 1 0 284.381 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000182228003 381032667 /nfs/dbraw/zinc/03/26/67/381032667.db2.gz ZGHAMHYTMYSFSY-AWEZNQCLSA-N 1 0 296.754 2.861 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C)(O)CC1 ZINC000347356006 381094293 /nfs/dbraw/zinc/09/42/93/381094293.db2.gz KHTRULCXADAITA-JLHYYAGUSA-N 1 0 290.363 2.845 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412024785 381097860 /nfs/dbraw/zinc/09/78/60/381097860.db2.gz ZYJMWHSNTVSDLH-NSHDSACASA-N 1 0 294.351 2.651 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC[C@@H](C)O ZINC000347383687 381113290 /nfs/dbraw/zinc/11/32/90/381113290.db2.gz YSZPGPNVAYWOBM-KIWPFMIBSA-N 1 0 278.352 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)c(F)c1 ZINC000342290573 381251920 /nfs/dbraw/zinc/25/19/20/381251920.db2.gz MVGGLXUJMUKAGZ-VHSXEESVSA-N 1 0 256.252 2.714 20 5 CFBDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354423494 381256320 /nfs/dbraw/zinc/25/63/20/381256320.db2.gz SQUFAYBXNCCYED-UONOGXRCSA-N 1 0 294.399 2.986 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000290009421 381259333 /nfs/dbraw/zinc/25/93/33/381259333.db2.gz ZNHPUEVZILXIFM-CABCVRRESA-N 1 0 290.363 2.984 20 5 CFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000354352857 381221137 /nfs/dbraw/zinc/22/11/37/381221137.db2.gz RTMVHWMAYBCSLS-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000289969770 381242195 /nfs/dbraw/zinc/24/21/95/381242195.db2.gz YUIPWRVVFLVAQG-STMXVASLSA-N 1 0 264.325 2.623 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296079522 381245592 /nfs/dbraw/zinc/24/55/92/381245592.db2.gz SLFLCDQAYDSSOM-YHWZYXNKSA-N 1 0 275.352 2.940 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342351548 381291376 /nfs/dbraw/zinc/29/13/76/381291376.db2.gz VKFRARMRNRBVHQ-WAIVJAFWSA-N 1 0 264.325 2.621 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000369489785 381274347 /nfs/dbraw/zinc/27/43/47/381274347.db2.gz JUSIJBFSUIOYAZ-UHFFFAOYSA-N 1 0 286.335 2.628 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342419738 381322863 /nfs/dbraw/zinc/32/28/63/381322863.db2.gz MQHCZLJVRSWIGX-LBPRGKRZSA-N 1 0 297.374 2.944 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000342407758 381316133 /nfs/dbraw/zinc/31/61/33/381316133.db2.gz ZDPDOUIWAFQTGS-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354705872 381412764 /nfs/dbraw/zinc/41/27/64/381412764.db2.gz MIPICXGKWPOFRX-LLVKDONJSA-N 1 0 290.319 2.979 20 5 CFBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000342602295 381428031 /nfs/dbraw/zinc/42/80/31/381428031.db2.gz LXEBQALGWUDOCL-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000290622363 381501647 /nfs/dbraw/zinc/50/16/47/381501647.db2.gz XJGAKHMLEZKPAD-CQSZACIVSA-N 1 0 280.368 2.742 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000290760479 381541900 /nfs/dbraw/zinc/54/19/00/381541900.db2.gz UGNBVCCUYSHTAP-LLVKDONJSA-N 1 0 251.330 2.735 20 5 CFBDRO COc1cccc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000185121861 381541987 /nfs/dbraw/zinc/54/19/87/381541987.db2.gz GHHHYZIXHYYOOS-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000348469686 381580924 /nfs/dbraw/zinc/58/09/24/381580924.db2.gz OJOMWVHULBNOOE-ZDUSSCGKSA-N 1 0 284.331 2.885 20 5 CFBDRO C[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290811628 381560378 /nfs/dbraw/zinc/56/03/78/381560378.db2.gz REHYAPKFXFLKQA-UWVGGRQHSA-N 1 0 279.315 2.771 20 5 CFBDRO [NH3+]CC1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000185340411 381603029 /nfs/dbraw/zinc/60/30/29/381603029.db2.gz CZUZPLODWKWWQP-UHFFFAOYSA-N 1 0 291.351 2.833 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355203325 381674416 /nfs/dbraw/zinc/67/44/16/381674416.db2.gz DUDNOLFIRJESDV-ZFWWWQNUSA-N 1 0 290.363 2.843 20 5 CFBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000348712073 381680657 /nfs/dbraw/zinc/68/06/57/381680657.db2.gz HIKUVLWMIOXEGE-YQCJOKCJSA-N 1 0 278.352 2.701 20 5 CFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C ZINC000291139703 381680672 /nfs/dbraw/zinc/68/06/72/381680672.db2.gz CSITXKRJQILUPC-UHFFFAOYSA-N 1 0 293.367 2.562 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000355232461 381693508 /nfs/dbraw/zinc/69/35/08/381693508.db2.gz CUEFURHLYWYSAU-CABCVRRESA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291280949 381735212 /nfs/dbraw/zinc/73/52/12/381735212.db2.gz ORIDWMSFRPCPQL-YFCVBGDOSA-N 1 0 298.346 2.752 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1O ZINC000355305489 381739574 /nfs/dbraw/zinc/73/95/74/381739574.db2.gz AEIYXHGMOJFACR-XYOKQWHBSA-N 1 0 299.330 2.889 20 5 CFBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000415056064 381743420 /nfs/dbraw/zinc/74/34/20/381743420.db2.gz PJMBUBZJZFWQKB-MOCUHTECSA-N 1 0 289.379 2.525 20 5 CFBDRO CCc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000348896346 381759208 /nfs/dbraw/zinc/75/92/08/381759208.db2.gz UABSDIKMWKTBCW-UHFFFAOYSA-N 1 0 289.335 2.716 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291322248 381747975 /nfs/dbraw/zinc/74/79/75/381747975.db2.gz STZHKAFYNMWQKV-AWEZNQCLSA-N 1 0 286.335 2.547 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000360047435 381749326 /nfs/dbraw/zinc/74/93/26/381749326.db2.gz LHCMDKLLJLSVGN-RYUDHWBXSA-N 1 0 295.358 2.961 20 5 CFBDRO [NH3+]C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071571 381756554 /nfs/dbraw/zinc/75/65/54/381756554.db2.gz WOYFIDXKKMJZMF-FUVBFXSKSA-N 1 0 289.379 2.715 20 5 CFBDRO CC(C)(C)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372334149 381790899 /nfs/dbraw/zinc/79/08/99/381790899.db2.gz ZEVGFAHZRBEFOJ-LBPRGKRZSA-N 1 0 280.372 2.864 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C4CC4)C3)nc2c1 ZINC000372337201 381793494 /nfs/dbraw/zinc/79/34/94/381793494.db2.gz BOQQSNYEKRHCSO-NSHDSACASA-N 1 0 287.319 2.968 20 5 CFBDRO C[NH+](C)Cc1cnc(/C=C\c2ccc([N+](=O)[O-])cn2)s1 ZINC000349114646 381826085 /nfs/dbraw/zinc/82/60/85/381826085.db2.gz VCDUORYHEJLLBS-XQRVVYSFSA-N 1 0 290.348 2.678 20 5 CFBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000415138816 381802590 /nfs/dbraw/zinc/80/25/90/381802590.db2.gz QJPHUQYEGHCIIB-GFCCVEGCSA-N 1 0 289.360 2.546 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186506384 381930038 /nfs/dbraw/zinc/93/00/38/381930038.db2.gz BPILWDSMYKPHAG-QITAHTHBSA-N 1 0 278.352 2.881 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186506417 381930244 /nfs/dbraw/zinc/93/02/44/381930244.db2.gz BPILWDSMYKPHAG-IJWDBEHRSA-N 1 0 278.352 2.881 20 5 CFBDRO COC1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000292950723 381918769 /nfs/dbraw/zinc/91/87/69/381918769.db2.gz KPSTZBBLSCDTMU-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC23CCC3)c1 ZINC000373100220 381926009 /nfs/dbraw/zinc/92/60/09/381926009.db2.gz QQUBRYJESOMIER-AWEZNQCLSA-N 1 0 276.336 2.647 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000293148025 382008239 /nfs/dbraw/zinc/00/82/39/382008239.db2.gz USTLZCZHTSLBBT-IUODEOHRSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357030522 381975944 /nfs/dbraw/zinc/97/59/44/381975944.db2.gz DWUKICUUTZWVSQ-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO COCC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000293085523 381982789 /nfs/dbraw/zinc/98/27/89/381982789.db2.gz WNPXVNMNFDVCNP-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417329036 382042056 /nfs/dbraw/zinc/04/20/56/382042056.db2.gz JGLAQLJFWIQWRP-XHDPSFHLSA-N 1 0 278.352 2.987 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCOC1)CCCC2 ZINC000417347893 382047852 /nfs/dbraw/zinc/04/78/52/382047852.db2.gz XRDFZYAWCXWDCS-WBMJQRKESA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c(F)c1 ZINC000344015894 382070127 /nfs/dbraw/zinc/07/01/27/382070127.db2.gz YOFDCYWLKQQIEF-LLVKDONJSA-N 1 0 264.300 2.966 20 5 CFBDRO CC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000417310954 382037242 /nfs/dbraw/zinc/03/72/42/382037242.db2.gz LBGUHXIFWABQIY-OAHLLOKOSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000344021711 382072594 /nfs/dbraw/zinc/07/25/94/382072594.db2.gz QJBVUAQJWZUYBI-ZDUSSCGKSA-N 1 0 276.336 2.706 20 5 CFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000186999322 382073739 /nfs/dbraw/zinc/07/37/39/382073739.db2.gz QAQPCGMXADSNFH-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000344026845 382076877 /nfs/dbraw/zinc/07/68/77/382076877.db2.gz JECPEFRCYLQKLL-AWEZNQCLSA-N 1 0 260.337 2.869 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301087807 382079931 /nfs/dbraw/zinc/07/99/31/382079931.db2.gz KDPSFVQVLBUZBD-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(F)ccc1[N+](=O)[O-] ZINC000376261136 382127237 /nfs/dbraw/zinc/12/72/37/382127237.db2.gz XKUVSIIVNOOAMQ-YPMHNXCESA-N 1 0 293.342 2.797 20 5 CFBDRO CCOc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301556101 382175211 /nfs/dbraw/zinc/17/52/11/382175211.db2.gz WPWDNSDFONCIQS-CYBMUJFWSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000301554749 382175440 /nfs/dbraw/zinc/17/54/40/382175440.db2.gz IETAMMJYAKCBQM-OAHLLOKOSA-N 1 0 277.368 2.680 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301604427 382180527 /nfs/dbraw/zinc/18/05/27/382180527.db2.gz LUUANWIGOJOQMH-CYBMUJFWSA-N 1 0 277.368 2.985 20 5 CFBDRO CC[C@@]1(C)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344222790 382209030 /nfs/dbraw/zinc/20/90/30/382209030.db2.gz UWAMKKAWACQVIA-HNNXBMFYSA-N 1 0 291.351 2.655 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352177416 382209452 /nfs/dbraw/zinc/20/94/52/382209452.db2.gz BKSOCGCWPOOHHF-ZDUSSCGKSA-N 1 0 295.314 2.547 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792150 382281681 /nfs/dbraw/zinc/28/16/81/382281681.db2.gz QPXIVJMAORAZMD-BONVTDFDSA-N 1 0 295.383 2.625 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419332513 382289875 /nfs/dbraw/zinc/28/98/75/382289875.db2.gz SQLSZASRBJSCAF-RYUDHWBXSA-N 1 0 294.399 2.975 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000377652615 382312449 /nfs/dbraw/zinc/31/24/49/382312449.db2.gz OCVMDUKDDSQEDB-MRXNPFEDSA-N 1 0 292.379 2.744 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817558 382324889 /nfs/dbraw/zinc/32/48/89/382324889.db2.gz MQZNIRAXWALJOB-WCQYABFASA-N 1 0 293.342 2.654 20 5 CFBDRO CCOC(=O)CC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352424306 382325567 /nfs/dbraw/zinc/32/55/67/382325567.db2.gz FAXYXHCXWOMKKL-LBPRGKRZSA-N 1 0 294.351 2.849 20 5 CFBDRO COc1cccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294298 382346324 /nfs/dbraw/zinc/34/63/24/382346324.db2.gz YYDMJTMIFXEQJI-MNOVXSKESA-N 1 0 279.340 2.533 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CC3)CC2)c1 ZINC000364628378 382343507 /nfs/dbraw/zinc/34/35/07/382343507.db2.gz CBFRZXPRFHDFIJ-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)OC)cc1[N+](=O)[O-] ZINC000188124945 382349462 /nfs/dbraw/zinc/34/94/62/382349462.db2.gz VGPPVTKSDBRVAL-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CCCCC2)CC1 ZINC000377937105 382372056 /nfs/dbraw/zinc/37/20/56/382372056.db2.gz FODGPMGUXWDRMD-UHFFFAOYSA-N 1 0 292.383 2.875 20 5 CFBDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294004987 382375600 /nfs/dbraw/zinc/37/56/00/382375600.db2.gz CYCXXEOSTOQXBD-MEBBXXQBSA-N 1 0 293.367 2.643 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC2CCC([NH+](C)C)CC2)c1 ZINC000420624209 382432067 /nfs/dbraw/zinc/43/20/67/382432067.db2.gz JAFUIPHUGDLNBT-UHFFFAOYSA-N 1 0 293.367 2.888 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000294164039 382441818 /nfs/dbraw/zinc/44/18/18/382441818.db2.gz IQLLINHXIJJOQY-ONGXEEELSA-N 1 0 272.370 2.807 20 5 CFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000378164219 382411267 /nfs/dbraw/zinc/41/12/67/382411267.db2.gz LVKOEXLFIHQVTA-BTKRWWFXSA-N 1 0 298.346 2.998 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352701979 382449320 /nfs/dbraw/zinc/44/93/20/382449320.db2.gz WYWLOWNEXKBAFK-LERXQTSPSA-N 1 0 264.325 2.501 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC000346641994 382451824 /nfs/dbraw/zinc/45/18/24/382451824.db2.gz RUSSUJMVSDZCCM-LBPRGKRZSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188668973 382454540 /nfs/dbraw/zinc/45/45/40/382454540.db2.gz JPICVHMDHKYFQJ-QEJZJMRPSA-N 1 0 292.379 2.667 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308386212 382475285 /nfs/dbraw/zinc/47/52/85/382475285.db2.gz DMJBJIDDGJWCIX-UONOGXRCSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@H](O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353145044 382496567 /nfs/dbraw/zinc/49/65/67/382496567.db2.gz LEJZFNIDNBNGFM-AGLBCWCQSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161004 382504448 /nfs/dbraw/zinc/50/44/48/382504448.db2.gz ASLJMOODGGYWHR-WRLNGNIRSA-N 1 0 290.363 2.965 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]12CCOC2 ZINC000421399979 382517593 /nfs/dbraw/zinc/51/75/93/382517593.db2.gz JDDXKVVFBODUFG-RCBBPTIPSA-N 1 0 288.347 2.863 20 5 CFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421401558 382519068 /nfs/dbraw/zinc/51/90/68/382519068.db2.gz CPDHGGUMAHHRKI-SBJJXXPASA-N 1 0 289.379 2.634 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189152432 382555370 /nfs/dbraw/zinc/55/53/70/382555370.db2.gz DXQSUNNJGRRPJD-INIZCTEOSA-N 1 0 290.363 2.986 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000295050987 382567951 /nfs/dbraw/zinc/56/79/51/382567951.db2.gz QHMOXXZUPNXPTJ-NHYWBVRUSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1ccc(CN(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000346838149 382536570 /nfs/dbraw/zinc/53/65/70/382536570.db2.gz QOOUMAYUHAZBSX-UHFFFAOYSA-N 1 0 299.374 2.864 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000189291440 382584419 /nfs/dbraw/zinc/58/44/19/382584419.db2.gz MWDFETMFWAIMRF-OBJOEFQTSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189320585 382591411 /nfs/dbraw/zinc/59/14/11/382591411.db2.gz UKXYLMFZIHRZFQ-TUKIKUTGSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358407197 382602611 /nfs/dbraw/zinc/60/26/11/382602611.db2.gz SVVXVHMCOUZDBP-OBJOEFQTSA-N 1 0 277.368 2.504 20 5 CFBDRO CCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000336849067 382734703 /nfs/dbraw/zinc/73/47/03/382734703.db2.gz PGVIBNOYFNCGIG-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1c(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000191274636 382697445 /nfs/dbraw/zinc/69/74/45/382697445.db2.gz NRYXVYJKWNUNBO-BVUQATHDSA-N 1 0 278.352 2.637 20 5 CFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191651882 382701755 /nfs/dbraw/zinc/70/17/55/382701755.db2.gz DODCKIAIKRUMLW-INIZCTEOSA-N 1 0 292.379 2.968 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000192469507 382709293 /nfs/dbraw/zinc/70/92/93/382709293.db2.gz IMUUGTPXMNZAOO-NSHDSACASA-N 1 0 296.396 2.728 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])s1 ZINC000192547101 382709995 /nfs/dbraw/zinc/70/99/95/382709995.db2.gz QJNDXOBDFDBPSO-UHFFFAOYSA-N 1 0 286.401 2.610 20 5 CFBDRO C[C@@H](CCCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192949906 382713871 /nfs/dbraw/zinc/71/38/71/382713871.db2.gz NUWZSDIZHJHVSV-NHYWBVRUSA-N 1 0 278.352 2.723 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193337406 382718925 /nfs/dbraw/zinc/71/89/25/382718925.db2.gz HCSSUMFAAFQROG-ZIBATOQPSA-N 1 0 278.352 2.985 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193390582 382719560 /nfs/dbraw/zinc/71/95/60/382719560.db2.gz ICSODSPEJXKSEH-UHFFFAOYSA-N 1 0 292.383 2.852 20 5 CFBDRO COC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575001712 382723032 /nfs/dbraw/zinc/72/30/32/382723032.db2.gz LMOCAAFUZAGVGN-LBPRGKRZSA-N 1 0 264.325 2.597 20 5 CFBDRO COC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000336833867 382727476 /nfs/dbraw/zinc/72/74/76/382727476.db2.gz PMNJIAYOAZQVRX-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000336836014 382729357 /nfs/dbraw/zinc/72/93/57/382729357.db2.gz KEPLNGLJGWNQIR-OLZOCXBDSA-N 1 0 282.315 2.637 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CC1 ZINC000193952505 382730766 /nfs/dbraw/zinc/73/07/66/382730766.db2.gz MLROGZYVMCZQDW-UHFFFAOYSA-N 1 0 279.296 2.735 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195509454 382768716 /nfs/dbraw/zinc/76/87/16/382768716.db2.gz IIWIGZHNLWFMGE-UHFFFAOYSA-N 1 0 284.385 2.728 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000217363788 382785908 /nfs/dbraw/zinc/78/59/08/382785908.db2.gz ZIWATRNRFCKESX-ZFWWWQNUSA-N 1 0 275.352 2.942 20 5 CFBDRO CC(C)[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337050462 382756028 /nfs/dbraw/zinc/75/60/28/382756028.db2.gz RFCLHNZIEGXWKZ-CYBMUJFWSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1c(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317698 382846613 /nfs/dbraw/zinc/84/66/13/382846613.db2.gz IPXFBSXSZPMZRJ-YWPYICTPSA-N 1 0 291.395 2.722 20 5 CFBDRO CCC[N@H+](CC)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577231398 382852711 /nfs/dbraw/zinc/85/27/11/382852711.db2.gz JXVPZBYRQIRFFR-HNNXBMFYSA-N 1 0 291.395 2.904 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067295 382850092 /nfs/dbraw/zinc/85/00/92/382850092.db2.gz SEYIPTPMYNOWLA-UPJWGTAASA-N 1 0 277.368 2.573 20 5 CFBDRO CCC[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000337361112 382809705 /nfs/dbraw/zinc/80/97/05/382809705.db2.gz GAKQYUISEMOZGW-LLVKDONJSA-N 1 0 266.345 2.617 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCSC1 ZINC000225516911 382817791 /nfs/dbraw/zinc/81/77/91/382817791.db2.gz QTJGWZYEOBIOAD-JTQLQIEISA-N 1 0 272.757 2.843 20 5 CFBDRO COCC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000337481459 382828475 /nfs/dbraw/zinc/82/84/75/382828475.db2.gz QUQRRKTWOBKINY-UKRRQHHQSA-N 1 0 292.379 2.932 20 5 CFBDRO COc1ccc(C[NH2+]CC2(C)CCC2)cc1[N+](=O)[O-] ZINC000226787313 382831450 /nfs/dbraw/zinc/83/14/50/382831450.db2.gz PODUWWBIYBQEIM-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577209223 382851751 /nfs/dbraw/zinc/85/17/51/382851751.db2.gz AJKYSEYVVQLEGX-MCIONIFRSA-N 1 0 289.379 2.791 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 ZINC000227082276 382833047 /nfs/dbraw/zinc/83/30/47/382833047.db2.gz LDJDSKSTPZBZII-RRFJBIMHSA-N 1 0 290.363 2.888 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227713474 382840186 /nfs/dbraw/zinc/84/01/86/382840186.db2.gz XVMLCBZWXNQCQU-HUUCEWRRSA-N 1 0 296.367 2.687 20 5 CFBDRO COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000441343659 382908992 /nfs/dbraw/zinc/90/89/92/382908992.db2.gz WJXFGGDKQKWRIY-AAEUAGOBSA-N 1 0 294.351 2.603 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441345252 382909015 /nfs/dbraw/zinc/90/90/15/382909015.db2.gz GLQOOTRGLZPIJY-BXUZGUMPSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000230692651 382862815 /nfs/dbraw/zinc/86/28/15/382862815.db2.gz LLIHUIUKEGALRR-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CCOC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000233772677 382871882 /nfs/dbraw/zinc/87/18/82/382871882.db2.gz LQTBHQVNCFXCEY-HNNXBMFYSA-N 1 0 280.368 2.788 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CCC3)CC2)c1 ZINC000441200271 382899498 /nfs/dbraw/zinc/89/94/98/382899498.db2.gz QQGRHDNLQROOET-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000308401386 532963923 /nfs/dbraw/zinc/96/39/23/532963923.db2.gz WUMLCUDTWPSVLL-UONOGXRCSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000280237877 194760764 /nfs/dbraw/zinc/76/07/64/194760764.db2.gz JWEMTSJQNXSJTP-ZWNOBZJWSA-N 1 0 298.770 2.805 20 5 CFBDRO CC(C)=CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447599779 382998042 /nfs/dbraw/zinc/99/80/42/382998042.db2.gz KVIPLYUZXILPFY-OLZOCXBDSA-N 1 0 278.356 2.831 20 5 CFBDRO CC[C@H](F)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363331 383005667 /nfs/dbraw/zinc/00/56/67/383005667.db2.gz UBNUVAVNKKIXLK-LBPRGKRZSA-N 1 0 254.305 2.817 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447817076 383011605 /nfs/dbraw/zinc/01/16/05/383011605.db2.gz OGZISLOWAUFEJC-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017760 383014227 /nfs/dbraw/zinc/01/42/27/383014227.db2.gz XAVCHFYMDYZJRM-SJORKVTESA-N 1 0 297.358 2.872 20 5 CFBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000579613767 383037716 /nfs/dbraw/zinc/03/77/16/383037716.db2.gz BZGJUUROMCAGNO-HIFRSBDPSA-N 1 0 292.379 2.967 20 5 CFBDRO CCOc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338795456 383053906 /nfs/dbraw/zinc/05/39/06/383053906.db2.gz PLSPFCYSYFYJNU-TXEJJXNPSA-N 1 0 293.367 2.522 20 5 CFBDRO C[C@@H]1CC[N@H+](CCNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554002255 383121777 /nfs/dbraw/zinc/12/17/77/383121777.db2.gz YFYKVWQFKZWBSH-YVARQFDVSA-N 1 0 289.379 2.539 20 5 CFBDRO CC[C@@]1(C)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339016519 383122061 /nfs/dbraw/zinc/12/20/61/383122061.db2.gz BRNBYVRAKSEZDD-AWEZNQCLSA-N 1 0 264.325 2.922 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000601962136 383130397 /nfs/dbraw/zinc/13/03/97/383130397.db2.gz BOMPYADZYQZBOU-CYBMUJFWSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1c([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000423468803 383106812 /nfs/dbraw/zinc/10/68/12/383106812.db2.gz FTHFHJBQGLJLJT-MFKMUULPSA-N 1 0 299.321 2.551 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000517244444 383172407 /nfs/dbraw/zinc/17/24/07/383172407.db2.gz HEAITIGOEKMQEV-ZDUSSCGKSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000449106817 383178798 /nfs/dbraw/zinc/17/87/98/383178798.db2.gz KBLHRTVRTOXXLX-JTQLQIEISA-N 1 0 277.349 2.772 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000339459913 383205450 /nfs/dbraw/zinc/20/54/50/383205450.db2.gz DQEDSVSVBQFHAK-JTQLQIEISA-N 1 0 273.292 2.546 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(F)F ZINC000449305219 383210191 /nfs/dbraw/zinc/21/01/91/383210191.db2.gz FHGWVWWAYJTYRV-JTQLQIEISA-N 1 0 288.294 2.745 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCCO1 ZINC000449071630 383160548 /nfs/dbraw/zinc/16/05/48/383160548.db2.gz BTCQMQVLDGEWFR-LALPHHSUSA-N 1 0 278.352 2.683 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339586945 383254262 /nfs/dbraw/zinc/25/42/62/383254262.db2.gz NZVLVLTWZMWPAB-WDEREUQCSA-N 1 0 268.288 2.584 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519834049 383241471 /nfs/dbraw/zinc/24/14/71/383241471.db2.gz RSEXXKRXPQLIEI-MFKMUULPSA-N 1 0 278.352 2.721 20 5 CFBDRO Cn1cc(C[NH+]2CC3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449370525 383242619 /nfs/dbraw/zinc/24/26/19/383242619.db2.gz KVTSPJLXAWUBMX-UHFFFAOYSA-N 1 0 298.346 2.591 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000425259834 383352206 /nfs/dbraw/zinc/35/22/06/383352206.db2.gz WFRJABBCLDOJPJ-UHFFFAOYSA-N 1 0 299.346 2.521 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468632289 383362234 /nfs/dbraw/zinc/36/22/34/383362234.db2.gz SJYNZXOPFCLRAU-ARRLWOLASA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000250132080 383372157 /nfs/dbraw/zinc/37/21/57/383372157.db2.gz XGOIQVDRMLYBIA-HUBLWGQQSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000252674578 383427790 /nfs/dbraw/zinc/42/77/90/383427790.db2.gz SJFHPLCHIYPGSX-QWRGUYRKSA-N 1 0 279.315 2.773 20 5 CFBDRO CON1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000568854904 383443021 /nfs/dbraw/zinc/44/30/21/383443021.db2.gz DQBMLJOOHIQSBQ-GFCCVEGCSA-N 1 0 293.367 2.580 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000255024701 383474128 /nfs/dbraw/zinc/47/41/28/383474128.db2.gz YNCCAVMSIWKZJZ-AGLBCWCQSA-N 1 0 276.336 2.576 20 5 CFBDRO CC(C)[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487046741 383476898 /nfs/dbraw/zinc/47/68/98/383476898.db2.gz NGSPYABNZPGCOR-CQSZACIVSA-N 1 0 281.331 2.510 20 5 CFBDRO C[NH+](C)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255723652 383486491 /nfs/dbraw/zinc/48/64/91/383486491.db2.gz KRMGJNFPXKRQAB-ALCCZGGFSA-N 1 0 289.379 2.634 20 5 CFBDRO Cc1c(CN2CC[N@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488002907 383486994 /nfs/dbraw/zinc/48/69/94/383486994.db2.gz CPCYBONKWXKFCT-INIZCTEOSA-N 1 0 291.395 2.675 20 5 CFBDRO CCn1ccnc1[C@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000450828669 383508215 /nfs/dbraw/zinc/50/82/15/383508215.db2.gz KVCRIZCJQJGSBG-VIFPVBQESA-N 1 0 292.343 2.509 20 5 CFBDRO [NH3+]CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000261552730 383509619 /nfs/dbraw/zinc/50/96/19/383509619.db2.gz RSGBPUCBGQAWOT-UHFFFAOYSA-N 1 0 299.374 2.598 20 5 CFBDRO Cc1c(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000261625539 383531330 /nfs/dbraw/zinc/53/13/30/383531330.db2.gz GZHZGRJJRPHAHO-VXGBXAGGSA-N 1 0 291.351 2.749 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429461433 383534424 /nfs/dbraw/zinc/53/44/24/383534424.db2.gz JWYPPCONCJEZOD-ZYHUDNBSSA-N 1 0 288.294 2.652 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429461430 383534724 /nfs/dbraw/zinc/53/47/24/383534724.db2.gz JWYPPCONCJEZOD-CMPLNLGQSA-N 1 0 288.294 2.652 20 5 CFBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(C)cc1 ZINC000341038773 383539578 /nfs/dbraw/zinc/53/95/78/383539578.db2.gz MUHGZPPCGLBCJX-CYBMUJFWSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000570540977 383612957 /nfs/dbraw/zinc/61/29/57/383612957.db2.gz DPNQVTMGTQVDTP-GYSYKLTISA-N 1 0 264.325 2.608 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000450953012 383566409 /nfs/dbraw/zinc/56/64/09/383566409.db2.gz WIMMEUMQCPCTKY-GFCCVEGCSA-N 1 0 281.331 2.653 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000570827900 383639339 /nfs/dbraw/zinc/63/93/39/383639339.db2.gz YLFJQHRMBSXZMU-GXFFZTMASA-N 1 0 258.321 2.972 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489850794 383639583 /nfs/dbraw/zinc/63/95/83/383639583.db2.gz XLQUXAUIRZMVNN-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3(O)CCC3)C2)cc1 ZINC000451552714 383644764 /nfs/dbraw/zinc/64/47/64/383644764.db2.gz XDRVKARILFHUGA-AWEZNQCLSA-N 1 0 290.363 2.689 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3(O)CCC3)C2)cc1 ZINC000451552716 383645426 /nfs/dbraw/zinc/64/54/26/383645426.db2.gz XDRVKARILFHUGA-CQSZACIVSA-N 1 0 290.363 2.689 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCCO ZINC000570980858 383653281 /nfs/dbraw/zinc/65/32/81/383653281.db2.gz FTOKZAGBVUDEBD-JLHYYAGUSA-N 1 0 278.352 2.750 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCN2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298197 383759131 /nfs/dbraw/zinc/75/91/31/383759131.db2.gz NWBMFUKIHKHBOC-HNNXBMFYSA-N 1 0 289.379 2.613 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436312635 383804784 /nfs/dbraw/zinc/80/47/84/383804784.db2.gz NSVCJZKENYBONX-LLVKDONJSA-N 1 0 292.383 2.705 20 5 CFBDRO CCCC[N@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436395886 383811704 /nfs/dbraw/zinc/81/17/04/383811704.db2.gz YFNVRWVJHUFPCO-UHFFFAOYSA-N 1 0 292.383 2.707 20 5 CFBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000531381598 383858829 /nfs/dbraw/zinc/85/88/29/383858829.db2.gz QQKKNRZMWQFNRY-RDBSUJKOSA-N 1 0 292.383 2.692 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000573353880 383916092 /nfs/dbraw/zinc/91/60/92/383916092.db2.gz GFCCPFPJMBUFOF-LBPRGKRZSA-N 1 0 290.367 2.503 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265366256 383902756 /nfs/dbraw/zinc/90/27/56/383902756.db2.gz HLRXETVGBOPXDK-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO Cc1ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438353369 383990467 /nfs/dbraw/zinc/99/04/67/383990467.db2.gz DLLASZCSLXQUHI-XQQFMLRXSA-N 1 0 278.352 2.901 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000531973538 383951911 /nfs/dbraw/zinc/95/19/11/383951911.db2.gz XWEDUHGPXYHYPD-DOMZBBRYSA-N 1 0 278.352 2.980 20 5 CFBDRO CC(C)OCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000265896167 384026759 /nfs/dbraw/zinc/02/67/59/384026759.db2.gz SWKOMKJPCRKWRM-UHFFFAOYSA-N 1 0 266.341 2.842 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000265880726 384023554 /nfs/dbraw/zinc/02/35/54/384023554.db2.gz OIZIHFIVULSHTO-AWEZNQCLSA-N 1 0 292.360 2.654 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000574884377 384160380 /nfs/dbraw/zinc/16/03/80/384160380.db2.gz OQJBOFYXVOYZQM-UHFFFAOYSA-N 1 0 278.352 2.903 20 5 CFBDRO Cn1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000574927129 384167002 /nfs/dbraw/zinc/16/70/02/384167002.db2.gz YEBYPURLRXABHW-CQSZACIVSA-N 1 0 271.320 2.710 20 5 CFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000266939478 384266038 /nfs/dbraw/zinc/26/60/38/384266038.db2.gz VZIRMLPDRABALO-UHFFFAOYSA-N 1 0 294.380 2.763 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC(F)(F)C1 ZINC000277372176 384283079 /nfs/dbraw/zinc/28/30/79/384283079.db2.gz BSJJSYXAKJPTMY-UHFFFAOYSA-N 1 0 256.252 2.791 20 5 CFBDRO C[NH+](C)[C@@]1(CNc2cccc(F)c2[N+](=O)[O-])CCSC1 ZINC000267045301 384285841 /nfs/dbraw/zinc/28/58/41/384285841.db2.gz DHPMNZGSCOBTRV-CYBMUJFWSA-N 1 0 299.371 2.583 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267085869 384297165 /nfs/dbraw/zinc/29/71/65/384297165.db2.gz ZHUNYIJDCLZIMA-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000267274323 384343985 /nfs/dbraw/zinc/34/39/85/384343985.db2.gz NGGQTMPHQRUTET-NEPJUHHUSA-N 1 0 278.356 2.583 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000267278728 384346167 /nfs/dbraw/zinc/34/61/67/384346167.db2.gz OJTCBCUONZBKCT-VHSXEESVSA-N 1 0 298.774 2.928 20 5 CFBDRO Cc1cnc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277865444 384427344 /nfs/dbraw/zinc/42/73/44/384427344.db2.gz LKBJQTGSMGZNPA-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000355141878 285112667 /nfs/dbraw/zinc/11/26/67/285112667.db2.gz YSRRSTIFYQPXCK-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccsc2)cc1 ZINC000042249128 285115186 /nfs/dbraw/zinc/11/51/86/285115186.db2.gz PADQZKPDGRVNED-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO Cn1cccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289389144 197325029 /nfs/dbraw/zinc/32/50/29/197325029.db2.gz NIBYJAQSXHTSRY-UHFFFAOYSA-N 1 0 273.336 2.608 20 5 CFBDRO C[C@H](CO)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289385025 197322900 /nfs/dbraw/zinc/32/29/00/197322900.db2.gz DAJGKNMOXBQUOP-LLVKDONJSA-N 1 0 290.319 2.667 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000268143469 384542933 /nfs/dbraw/zinc/54/29/33/384542933.db2.gz LDKFIUMXYXIEOH-YMTOWFKASA-N 1 0 279.315 2.629 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000289337455 197302392 /nfs/dbraw/zinc/30/23/92/197302392.db2.gz HLNLCFZVSIRTMY-OKILXGFUSA-N 1 0 264.325 2.512 20 5 CFBDRO CC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)COC1 ZINC000278996143 384603460 /nfs/dbraw/zinc/60/34/60/384603460.db2.gz FGOKCUDXHKCZRI-AWEZNQCLSA-N 1 0 290.363 2.943 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268859561 384679353 /nfs/dbraw/zinc/67/93/53/384679353.db2.gz FNJBCNRNSUVVPS-JVLSTEMRSA-N 1 0 280.368 2.961 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCC2)c(Cl)c1 ZINC000279675372 384717733 /nfs/dbraw/zinc/71/77/33/384717733.db2.gz IFWIGNAKTJOXIL-GFCCVEGCSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000279781754 384758836 /nfs/dbraw/zinc/75/88/36/384758836.db2.gz LMMVKFZOJVYRPK-CQSZACIVSA-N 1 0 278.352 2.544 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662460 384825205 /nfs/dbraw/zinc/82/52/05/384825205.db2.gz KPEPEULEBSFPLS-FZMZJTMJSA-N 1 0 266.341 2.605 20 5 CFBDRO CC(C)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692320 384837686 /nfs/dbraw/zinc/83/76/86/384837686.db2.gz VMBJPYDLRAHVRZ-GJZGRUSLSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269628704 384810473 /nfs/dbraw/zinc/81/04/73/384810473.db2.gz KLFWPPGGHNBXLM-SNVBAGLBSA-N 1 0 299.321 2.651 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269628059 384810977 /nfs/dbraw/zinc/81/09/77/384810977.db2.gz DFHKKXUMJCEMLP-TYNCELHUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269628055 384810999 /nfs/dbraw/zinc/81/09/99/384810999.db2.gz DFHKKXUMJCEMLP-JMSVASOKSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CC3)CC2)c(F)c1 ZINC000269837234 384878403 /nfs/dbraw/zinc/87/84/03/384878403.db2.gz BELKPYHURHMKAJ-UHFFFAOYSA-N 1 0 297.305 2.594 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000280237864 384940008 /nfs/dbraw/zinc/94/00/08/384940008.db2.gz JWEMTSJQNXSJTP-MFKMUULPSA-N 1 0 298.770 2.805 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411949006 285153362 /nfs/dbraw/zinc/15/33/62/285153362.db2.gz QEJOXYJAEJFJAN-DLBZAZTESA-N 1 0 298.342 2.903 20 5 CFBDRO CN(CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000270567344 385149172 /nfs/dbraw/zinc/14/91/72/385149172.db2.gz ZHXCPCOJLKQBSO-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000282193946 385243897 /nfs/dbraw/zinc/24/38/97/385243897.db2.gz HNJSENWGBYAHNP-CYBMUJFWSA-N 1 0 290.367 2.606 20 5 CFBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282402329 385301937 /nfs/dbraw/zinc/30/19/37/385301937.db2.gz FJNQKDGMZKIMHL-LBPRGKRZSA-N 1 0 284.331 2.573 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000282908106 385409177 /nfs/dbraw/zinc/40/91/77/385409177.db2.gz XFUNHVMRIBEBBM-LLVKDONJSA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283238758 385448788 /nfs/dbraw/zinc/44/87/88/385448788.db2.gz UPNRTUGWYOVOOY-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO CC(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283877622 385508961 /nfs/dbraw/zinc/50/89/61/385508961.db2.gz CBRPOTYADRKFMY-SNVBAGLBSA-N 1 0 251.330 2.874 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272365744 385519823 /nfs/dbraw/zinc/51/98/23/385519823.db2.gz SWRYJTGPQACFLO-UKRRQHHQSA-N 1 0 292.379 2.824 20 5 CFBDRO CC[C@H](COC)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272619130 385577554 /nfs/dbraw/zinc/57/75/54/385577554.db2.gz LQDAFQJIDJWHTQ-GFCCVEGCSA-N 1 0 286.759 2.805 20 5 CFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1F ZINC000272522109 385557308 /nfs/dbraw/zinc/55/73/08/385557308.db2.gz NWIRCZHHSFJHBE-NSHDSACASA-N 1 0 295.358 2.900 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1=CCCCC1)CC2 ZINC000450694339 285183976 /nfs/dbraw/zinc/18/39/76/285183976.db2.gz OEMUIGYVYFMBNB-UHFFFAOYSA-N 1 0 273.336 2.848 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000272597315 385571858 /nfs/dbraw/zinc/57/18/58/385571858.db2.gz UOBTWGWMIKLMJU-ZBFHGGJFSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000272900513 385647769 /nfs/dbraw/zinc/64/77/69/385647769.db2.gz IPNIVDMHEOZYRQ-SNVBAGLBSA-N 1 0 279.315 2.796 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000287116829 385783769 /nfs/dbraw/zinc/78/37/69/385783769.db2.gz YVFAOKVSQQBILE-UHFFFAOYSA-N 1 0 294.351 2.603 20 5 CFBDRO COCC1=CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275031839 385916036 /nfs/dbraw/zinc/91/60/36/385916036.db2.gz WIPJTDOWFJSSSG-LBPRGKRZSA-N 1 0 276.336 2.934 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000274781433 385869829 /nfs/dbraw/zinc/86/98/29/385869829.db2.gz KUMZWSWQLPIYFD-GFCCVEGCSA-N 1 0 280.368 2.667 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000274808091 385875932 /nfs/dbraw/zinc/87/59/32/385875932.db2.gz UBJXJMXTMCIELZ-NSHDSACASA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000277004925 386105897 /nfs/dbraw/zinc/10/58/97/386105897.db2.gz IJDOEOXYLXJIRV-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276892586 386072394 /nfs/dbraw/zinc/07/23/94/386072394.db2.gz GOVCYQUIKTUPPR-NSHDSACASA-N 1 0 299.330 2.815 20 5 CFBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276976063 386098021 /nfs/dbraw/zinc/09/80/21/386098021.db2.gz XQBDHKQPQXVCKV-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO CCOc1cc(C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000276984361 386098880 /nfs/dbraw/zinc/09/88/80/386098880.db2.gz YXAKPNAIORULNO-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000090716830 285242408 /nfs/dbraw/zinc/24/24/08/285242408.db2.gz QSYYOVFCNMGNBA-BXUZGUMPSA-N 1 0 278.352 2.979 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426459377 533219505 /nfs/dbraw/zinc/21/95/05/533219505.db2.gz KKNHXJFPPDBXOI-SMDDNHRTSA-N 1 0 276.336 2.978 20 5 CFBDRO CC(C)[NH+](CCNCc1ccccc1[N+](=O)[O-])C(C)C ZINC000020039378 262227115 /nfs/dbraw/zinc/22/71/15/262227115.db2.gz ADVAQXJEWLHQCU-UHFFFAOYSA-N 1 0 279.384 2.803 20 5 CFBDRO Cc1cc(NCC[NH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000081275199 177785516 /nfs/dbraw/zinc/78/55/16/177785516.db2.gz SPKAYKKCCHVMHC-UHFFFAOYSA-N 1 0 280.372 2.829 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281703265 195344384 /nfs/dbraw/zinc/34/43/84/195344384.db2.gz NXYDVMWNEWCJFD-AAEUAGOBSA-N 1 0 264.325 2.594 20 5 CFBDRO COC(=O)CC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000281763364 195369917 /nfs/dbraw/zinc/36/99/17/195369917.db2.gz YYJUVEZTDOYNPM-LLVKDONJSA-N 1 0 292.335 2.589 20 5 CFBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)on1 ZINC000282535378 195638257 /nfs/dbraw/zinc/63/82/57/195638257.db2.gz VLDRLULIEKZAEJ-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190946337 533264814 /nfs/dbraw/zinc/26/48/14/533264814.db2.gz ZWWWHTOOPQKMPX-STQMWFEESA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411958161 533356236 /nfs/dbraw/zinc/35/62/36/533356236.db2.gz WRVDKIFGNIOSFW-XHDPSFHLSA-N 1 0 278.352 2.888 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]1O ZINC000459586110 533385227 /nfs/dbraw/zinc/38/52/27/533385227.db2.gz KNVPZTSDVKINOS-TYJMOYENSA-N 1 0 276.336 2.501 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000426483214 533570153 /nfs/dbraw/zinc/57/01/53/533570153.db2.gz OGWCDHAUDQHIPO-OLZOCXBDSA-N 1 0 276.336 2.978 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307204 533630097 /nfs/dbraw/zinc/63/00/97/533630097.db2.gz GUNKXDRIAUJUBN-BLLLJJGKSA-N 1 0 292.379 2.970 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCCCF)CC2)c1 ZINC000341833575 130064415 /nfs/dbraw/zinc/06/44/15/130064415.db2.gz FYPVPQGWLDYRFK-UHFFFAOYSA-N 1 0 295.358 2.857 20 5 CFBDRO Cc1cccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000341877747 130104572 /nfs/dbraw/zinc/10/45/72/130104572.db2.gz UTLHTZPSLHBMSW-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO COc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000192173309 130386329 /nfs/dbraw/zinc/38/63/29/130386329.db2.gz POEJUHSIIDSHEO-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192183118 130390913 /nfs/dbraw/zinc/39/09/13/130390913.db2.gz NDLSIZFOIHOKSP-LBPRGKRZSA-N 1 0 280.393 2.965 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000192192497 130392068 /nfs/dbraw/zinc/39/20/68/130392068.db2.gz ZEYPPZYNOUSDCS-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000342227721 130399305 /nfs/dbraw/zinc/39/93/05/130399305.db2.gz KVHQGODXOHGIFD-WPRPVWTQSA-N 1 0 276.670 2.991 20 5 CFBDRO Cc1cc(N(C)CC2([NH+](C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000360048007 130581428 /nfs/dbraw/zinc/58/14/28/130581428.db2.gz PHUVBUOKOYNOFO-UHFFFAOYSA-N 1 0 295.358 2.963 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000237784255 131056828 /nfs/dbraw/zinc/05/68/28/131056828.db2.gz DBRBYNDKONDDFE-ZDUSSCGKSA-N 1 0 292.360 2.788 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCOC1 ZINC000237947653 131067989 /nfs/dbraw/zinc/06/79/89/131067989.db2.gz MEASZZXTMYBVTP-MXPWBENCSA-N 1 0 276.336 2.624 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000248347921 131114323 /nfs/dbraw/zinc/11/43/23/131114323.db2.gz NYXSHNAERDONJO-CMPLNLGQSA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344575 131115162 /nfs/dbraw/zinc/11/51/62/131115162.db2.gz LTUUSSNXXIEVOH-GRYCIOLGSA-N 1 0 291.351 2.652 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267307181 131852325 /nfs/dbraw/zinc/85/23/25/131852325.db2.gz WGPSQWXKYZOIPJ-GXTWGEPZSA-N 1 0 263.341 2.880 20 5 CFBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000268435802 132008939 /nfs/dbraw/zinc/00/89/39/132008939.db2.gz BYCXJRAZFNRENN-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000268815500 132070599 /nfs/dbraw/zinc/07/05/99/132070599.db2.gz MEPRLVHPXUJTNS-YPMHNXCESA-N 1 0 288.351 2.839 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000268947747 132092273 /nfs/dbraw/zinc/09/22/73/132092273.db2.gz BRYSRBBWWPSNKW-UTUOFQBUSA-N 1 0 266.341 2.571 20 5 CFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269012609 132100263 /nfs/dbraw/zinc/10/02/63/132100263.db2.gz XQTVJEHZYVNRAK-NEPJUHHUSA-N 1 0 291.351 2.702 20 5 CFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000269027350 132100961 /nfs/dbraw/zinc/10/09/61/132100961.db2.gz RGBMEIGXLYQNRA-UHIISALHSA-N 1 0 298.408 2.666 20 5 CFBDRO Cc1c([C@@H](C)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070662 132107832 /nfs/dbraw/zinc/10/78/32/132107832.db2.gz ZXXARTKZAGRDHM-WCQYABFASA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726919 393477251 /nfs/dbraw/zinc/47/72/51/393477251.db2.gz VMOSMAJLTHTQBS-KBPBESRZSA-N 1 0 289.379 2.824 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000181060332 393488207 /nfs/dbraw/zinc/48/82/07/393488207.db2.gz KHPNBBMBYVTYJS-JKOKRWQUSA-N 1 0 294.351 2.558 20 5 CFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000181776317 393501127 /nfs/dbraw/zinc/50/11/27/393501127.db2.gz DUEKWWOGCOVHMI-LBPRGKRZSA-N 1 0 287.319 2.719 20 5 CFBDRO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000374990976 393504381 /nfs/dbraw/zinc/50/43/81/393504381.db2.gz VZMMFDXGRNKZLV-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000378269788 393544581 /nfs/dbraw/zinc/54/45/81/393544581.db2.gz ISVKDKSVYGJIIG-OAHLLOKOSA-N 1 0 298.346 2.897 20 5 CFBDRO Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000312850469 393522056 /nfs/dbraw/zinc/52/20/56/393522056.db2.gz WCUJNYLQCWWMIC-KOLCDFICSA-N 1 0 281.331 2.606 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000036996371 393526757 /nfs/dbraw/zinc/52/67/57/393526757.db2.gz LXDZQASNPCSFGC-APHBMKBZSA-N 1 0 289.379 2.872 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000037154582 393529483 /nfs/dbraw/zinc/52/94/83/393529483.db2.gz HQBSEMKBUCPPFH-STQMWFEESA-N 1 0 288.351 2.839 20 5 CFBDRO CC(C)C[C@@H](CNCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000037562657 393532336 /nfs/dbraw/zinc/53/23/36/393532336.db2.gz LZMIZBJDVRSTAK-LBPRGKRZSA-N 1 0 285.413 2.722 20 5 CFBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377710906 393534702 /nfs/dbraw/zinc/53/47/02/393534702.db2.gz XDKKJQLPRMYBPN-UHFFFAOYSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200912 393554816 /nfs/dbraw/zinc/55/48/16/393554816.db2.gz VIBPWTIPVDDWLS-OCCSQVGLSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331496940 393556961 /nfs/dbraw/zinc/55/69/61/393556961.db2.gz NKGPSCWOOPMYOP-UWVGGRQHSA-N 1 0 274.324 2.844 20 5 CFBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191828382 393608606 /nfs/dbraw/zinc/60/86/06/393608606.db2.gz LFZLUIPSCNMYEA-CHWSQXEVSA-N 1 0 280.372 2.740 20 5 CFBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191876083 393610392 /nfs/dbraw/zinc/61/03/92/393610392.db2.gz OEKLRJCYOYSXCH-ZIAGYGMSSA-N 1 0 294.399 2.986 20 5 CFBDRO C[NH+](C)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593185 393627033 /nfs/dbraw/zinc/62/70/33/393627033.db2.gz YOOPFBICHRQZJH-HNNXBMFYSA-N 1 0 277.368 2.514 20 5 CFBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000083415328 393743508 /nfs/dbraw/zinc/74/35/08/393743508.db2.gz KGCCJPICHLFTEU-UHFFFAOYSA-N 1 0 280.393 2.965 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411280024 393693618 /nfs/dbraw/zinc/69/36/18/393693618.db2.gz DDMLESRLVMNDCY-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1ccc2nc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)cn2c1 ZINC000195056065 393729795 /nfs/dbraw/zinc/72/97/95/393729795.db2.gz DNQFVKYWVDQZNJ-UHFFFAOYSA-N 1 0 297.318 2.673 20 5 CFBDRO Cc1cc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000338291380 393778655 /nfs/dbraw/zinc/77/86/55/393778655.db2.gz VIYVDHJFERGESO-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424289330 393815699 /nfs/dbraw/zinc/81/56/99/393815699.db2.gz BXCIWCBVIWDXJX-ZLKJLUDKSA-N 1 0 263.341 2.515 20 5 CFBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424305483 393819354 /nfs/dbraw/zinc/81/93/54/393819354.db2.gz SLIQBNFJVIQOAD-XBRFFFJOSA-N 1 0 290.363 2.888 20 5 CFBDRO CC[C@@]1(O)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470201641 393898876 /nfs/dbraw/zinc/89/88/76/393898876.db2.gz IPYWKDHZZYNSEF-RCBBPTIPSA-N 1 0 290.363 2.845 20 5 CFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000344413899 393899841 /nfs/dbraw/zinc/89/98/41/393899841.db2.gz FRKDTYOHYWVDGG-ZDUSSCGKSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471805143 393917182 /nfs/dbraw/zinc/91/71/82/393917182.db2.gz PQSNGQQNHDWWFV-DGCLKSJQSA-N 1 0 278.352 2.673 20 5 CFBDRO CC(C)c1ccc(CN2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000346668487 393932253 /nfs/dbraw/zinc/93/22/53/393932253.db2.gz TZLNDXSWJYALGN-UHFFFAOYSA-N 1 0 277.368 2.514 20 5 CFBDRO COCC(C)(C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430130529 393961016 /nfs/dbraw/zinc/96/10/16/393961016.db2.gz KEUCOENPVIJWDN-UHFFFAOYSA-N 1 0 266.341 2.760 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000430194758 393966289 /nfs/dbraw/zinc/96/62/89/393966289.db2.gz KSSCGXLYPYLFMF-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000430208254 393967688 /nfs/dbraw/zinc/96/76/88/393967688.db2.gz AZNKCHPCWWBNLI-RYUDHWBXSA-N 1 0 276.336 2.835 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000430236563 393971268 /nfs/dbraw/zinc/97/12/68/393971268.db2.gz NTHHYNJMUQCSAW-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO CC(C)C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123557682 393983943 /nfs/dbraw/zinc/98/39/43/393983943.db2.gz GBMNUPLUSIDMCR-CYBMUJFWSA-N 1 0 280.372 2.692 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000267474163 393987163 /nfs/dbraw/zinc/98/71/63/393987163.db2.gz YWALOJVIYOBLHZ-BXUZGUMPSA-N 1 0 266.341 2.916 20 5 CFBDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996965 393999174 /nfs/dbraw/zinc/99/91/74/393999174.db2.gz ICZMUSOUUHCTFD-WQGACYEGSA-N 1 0 289.379 2.728 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000269061587 394001268 /nfs/dbraw/zinc/00/12/68/394001268.db2.gz UGSWFJAKGSPCMU-SMDDNHRTSA-N 1 0 290.319 2.880 20 5 CFBDRO CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000125380642 394006977 /nfs/dbraw/zinc/00/69/77/394006977.db2.gz XRBQDAQJWHMPRY-AWEZNQCLSA-N 1 0 292.335 2.511 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354416254 394047143 /nfs/dbraw/zinc/04/71/43/394047143.db2.gz OHTCNQKUATYRPB-XJKSGUPXSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000358357650 394105105 /nfs/dbraw/zinc/10/51/05/394105105.db2.gz QYTXWQSXCSQYEE-WPRPVWTQSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H](C[NH3+])CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420218130 394097243 /nfs/dbraw/zinc/09/72/43/394097243.db2.gz OUPUYIIEZLKQSC-ZCFIWIBFSA-N 1 0 278.139 2.908 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420272136 394111760 /nfs/dbraw/zinc/11/17/60/394111760.db2.gz CYRNLICUOPIGKE-QWRGUYRKSA-N 1 0 279.340 2.533 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420272244 394112309 /nfs/dbraw/zinc/11/23/09/394112309.db2.gz DHZUJLVFBZBGFK-GHMZBOCLSA-N 1 0 279.340 2.533 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000439490188 394120532 /nfs/dbraw/zinc/12/05/32/394120532.db2.gz GPBRCDBGUPVNGA-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421005901 394154421 /nfs/dbraw/zinc/15/44/21/394154421.db2.gz AQQUEKCDPFOXBD-GFCCVEGCSA-N 1 0 296.342 2.718 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000361157348 394166659 /nfs/dbraw/zinc/16/66/59/394166659.db2.gz WFNZLYHOPBUTEH-CQSZACIVSA-N 1 0 280.368 2.788 20 5 CFBDRO Cc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363621421 394198128 /nfs/dbraw/zinc/19/81/28/394198128.db2.gz BTLYGSXBZNWRSG-CQSZACIVSA-N 1 0 275.352 2.578 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)CCCOC1 ZINC000449219966 394256026 /nfs/dbraw/zinc/25/60/26/394256026.db2.gz GBOMFPZABBJXCT-DOMZBBRYSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000287763543 394209400 /nfs/dbraw/zinc/20/94/00/394209400.db2.gz MJBXMOKJFXGFIJ-LLVKDONJSA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421379693 394210680 /nfs/dbraw/zinc/21/06/80/394210680.db2.gz JCURDRVNPKOFLI-AAEUAGOBSA-N 1 0 282.315 2.781 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN(CCOCC1CC1)C1CC1 ZINC000135241209 394214370 /nfs/dbraw/zinc/21/43/70/394214370.db2.gz MHECCDNKCYSLMT-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162972 394236263 /nfs/dbraw/zinc/23/62/63/394236263.db2.gz KXNJMKCIXLIFHC-AAEUAGOBSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000449174836 394241855 /nfs/dbraw/zinc/24/18/55/394241855.db2.gz NDDUQFWVKYTCQH-DAXOMENPSA-N 1 0 292.379 2.667 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449177770 394242729 /nfs/dbraw/zinc/24/27/29/394242729.db2.gz TVRZDDJUNYOVLL-WFASDCNBSA-N 1 0 280.368 2.786 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCC1 ZINC000449185740 394246473 /nfs/dbraw/zinc/24/64/73/394246473.db2.gz JNOYFRBKSMPWGX-CYBMUJFWSA-N 1 0 292.379 2.668 20 5 CFBDRO COC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449229484 394259512 /nfs/dbraw/zinc/25/95/12/394259512.db2.gz BGZIEWXBAIZLJD-LBPRGKRZSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1cc(N[C@H]2C[N@@H+](C)Cc3ccccc32)ncc1[N+](=O)[O-] ZINC000363449712 394195819 /nfs/dbraw/zinc/19/58/19/394195819.db2.gz MPTUOWMUZRJZCZ-AWEZNQCLSA-N 1 0 298.346 2.897 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000449231855 394261147 /nfs/dbraw/zinc/26/11/47/394261147.db2.gz FXPKXSASQNCUBE-IPYPFGDCSA-N 1 0 291.395 2.598 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105599 394267588 /nfs/dbraw/zinc/26/75/88/394267588.db2.gz UNGBEMAHXUZUDS-JQWIXIFHSA-N 1 0 286.335 2.526 20 5 CFBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292604366 394275362 /nfs/dbraw/zinc/27/53/62/394275362.db2.gz MMURYRNEKGXLQV-NHYWBVRUSA-N 1 0 293.342 2.573 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153210739 394279689 /nfs/dbraw/zinc/27/96/89/394279689.db2.gz IHVGIUKBDRZISZ-QWRGUYRKSA-N 1 0 264.300 2.966 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153586805 394286639 /nfs/dbraw/zinc/28/66/39/394286639.db2.gz ILPLGLRRXFRRBR-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000296382274 394308663 /nfs/dbraw/zinc/30/86/63/394308663.db2.gz JQQCKROSSIZTRB-JFUSQASVSA-N 1 0 288.294 2.650 20 5 CFBDRO CN(Cc1cccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000156779612 394338565 /nfs/dbraw/zinc/33/85/65/394338565.db2.gz CCZWLHCSQQTBCT-UHFFFAOYSA-N 1 0 259.309 2.565 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C1CCC1)CCC2 ZINC000453378784 394392471 /nfs/dbraw/zinc/39/24/71/394392471.db2.gz JQLJADUVRMUDRD-CVEARBPZSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514176834 394369025 /nfs/dbraw/zinc/36/90/25/394369025.db2.gz WOOOGNRSSWVIFC-FZMZJTMJSA-N 1 0 275.352 2.798 20 5 CFBDRO CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000520397495 394380704 /nfs/dbraw/zinc/38/07/04/394380704.db2.gz FRHDODWXZSSAEC-UHFFFAOYSA-N 1 0 291.351 2.703 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314251 394384519 /nfs/dbraw/zinc/38/45/19/394384519.db2.gz YBTRMXMUMWSGEE-ZOBORPQBSA-N 1 0 292.383 2.911 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000177892189 394385212 /nfs/dbraw/zinc/38/52/12/394385212.db2.gz RWWISAYIWSOJIN-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)O ZINC000453326577 394385902 /nfs/dbraw/zinc/38/59/02/394385902.db2.gz NMPONXDFUXUAEK-LKTVYLICSA-N 1 0 278.352 2.721 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](C)O ZINC000453326586 394385909 /nfs/dbraw/zinc/38/59/09/394385909.db2.gz NMPONXDFUXUAEK-WKPIXPDZSA-N 1 0 278.352 2.721 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000453328299 394386463 /nfs/dbraw/zinc/38/64/63/394386463.db2.gz BZLOUUJQHLENEC-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453405657 394398261 /nfs/dbraw/zinc/39/82/61/394398261.db2.gz JTUXVLSQHGXTQM-DYEKYZERSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000536357381 394555233 /nfs/dbraw/zinc/55/52/33/394555233.db2.gz ZEJLZFXGLYQXEQ-AVGNSLFASA-N 1 0 278.352 2.749 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000540537857 394648791 /nfs/dbraw/zinc/64/87/91/394648791.db2.gz ILQADJMIIPNJJK-UHFFFAOYSA-N 1 0 290.319 2.837 20 5 CFBDRO CCc1nocc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000556808248 395016888 /nfs/dbraw/zinc/01/68/88/395016888.db2.gz DISNGCSMYAGHKP-UHFFFAOYSA-N 1 0 287.319 2.704 20 5 CFBDRO COc1cc(N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000558598520 395065719 /nfs/dbraw/zinc/06/57/19/395065719.db2.gz CYFJNQITGBYJOT-JTQLQIEISA-N 1 0 299.346 2.883 20 5 CFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000283135214 285915606 /nfs/dbraw/zinc/91/56/06/285915606.db2.gz NSBYUTUWCNHHPC-GRYCIOLGSA-N 1 0 294.351 2.833 20 5 CFBDRO C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)c1ccccc1[N+](=O)[O-] ZINC000356442036 155267740 /nfs/dbraw/zinc/26/77/40/155267740.db2.gz SZXHRJGKYNDSKQ-SNVBAGLBSA-N 1 0 297.318 2.669 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000450548181 292286894 /nfs/dbraw/zinc/28/68/94/292286894.db2.gz QOXZFIRATBMMST-CYBMUJFWSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452071783 292296576 /nfs/dbraw/zinc/29/65/76/292296576.db2.gz RZSMUPHHMYBWRD-JKOKRWQUSA-N 1 0 278.352 2.667 20 5 CFBDRO CC[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343266111 154160626 /nfs/dbraw/zinc/16/06/26/154160626.db2.gz QRNMCFWKLCCATA-SNVBAGLBSA-N 1 0 283.759 2.779 20 5 CFBDRO CC[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343266110 154161075 /nfs/dbraw/zinc/16/10/75/154161075.db2.gz QRNMCFWKLCCATA-JTQLQIEISA-N 1 0 283.759 2.779 20 5 CFBDRO CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000345560742 154206098 /nfs/dbraw/zinc/20/60/98/154206098.db2.gz RWBBYDJJFZXYKT-CYBMUJFWSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000348166157 154346419 /nfs/dbraw/zinc/34/64/19/154346419.db2.gz FUMRVZFHERPPDG-CHWSQXEVSA-N 1 0 292.383 2.607 20 5 CFBDRO CC(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000355548499 155038203 /nfs/dbraw/zinc/03/82/03/155038203.db2.gz SZOPXEDFHWLPHB-UHFFFAOYSA-N 1 0 280.372 2.729 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000355600904 155051819 /nfs/dbraw/zinc/05/18/19/155051819.db2.gz REAXGSXDZBDDHD-WDEREUQCSA-N 1 0 294.351 2.835 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)CCn2cccn2)cccc1[N+](=O)[O-] ZINC000358328992 155723457 /nfs/dbraw/zinc/72/34/57/155723457.db2.gz VRVBXZXBNKZTKM-LBPRGKRZSA-N 1 0 288.351 2.668 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000367048961 156272076 /nfs/dbraw/zinc/27/20/76/156272076.db2.gz AVPPFLNINXMPNJ-HNNXBMFYSA-N 1 0 290.363 2.686 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCCCCF)C2)c1 ZINC000367080785 156278779 /nfs/dbraw/zinc/27/87/79/156278779.db2.gz OATNFYKDGINJJW-LBPRGKRZSA-N 1 0 284.335 2.568 20 5 CFBDRO Cc1c(C[N@H+]2CCOCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000367655984 156373054 /nfs/dbraw/zinc/37/30/54/156373054.db2.gz FGAVVYOFNVBXDL-NSHDSACASA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1ccc(C[N@H+]2CCOCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000367699278 156377805 /nfs/dbraw/zinc/37/78/05/156377805.db2.gz HKHGFOJJRODKBV-LBPRGKRZSA-N 1 0 264.325 2.514 20 5 CFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCCC1 ZINC000343798574 161861879 /nfs/dbraw/zinc/86/18/79/161861879.db2.gz NATZGLISELHALT-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000344040801 161922427 /nfs/dbraw/zinc/92/24/27/161922427.db2.gz XGKFKBGMPIAHLG-ZDUSSCGKSA-N 1 0 276.336 2.706 20 5 CFBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000344370938 162027433 /nfs/dbraw/zinc/02/74/33/162027433.db2.gz OLZQNSUQZGQBDV-ZDTYVGOBSA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344410506 162037960 /nfs/dbraw/zinc/03/79/60/162037960.db2.gz AYMXQMFNCKCYJO-GFCCVEGCSA-N 1 0 292.383 2.912 20 5 CFBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000344421816 162040519 /nfs/dbraw/zinc/04/05/19/162040519.db2.gz PRNULPFIEILHJA-UHFFFAOYSA-N 1 0 292.383 2.691 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnn1C ZINC000344792485 162121628 /nfs/dbraw/zinc/12/16/28/162121628.db2.gz MYBASDQCFINHCI-XYOKQWHBSA-N 1 0 286.335 2.521 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C)CC1 ZINC000344789399 162121861 /nfs/dbraw/zinc/12/18/61/162121861.db2.gz HCRAYGLGKAIQBJ-RAXLEYEMSA-N 1 0 289.379 2.682 20 5 CFBDRO CC[C@](C)(CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344786873 162122319 /nfs/dbraw/zinc/12/23/19/162122319.db2.gz GPGSWZPWSOTNNS-DDJMYBDESA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@@H](C)CO ZINC000344792721 162123589 /nfs/dbraw/zinc/12/35/89/162123589.db2.gz NHKYMRKOELIASX-ACMJRCFVSA-N 1 0 278.352 2.605 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C[C@H](C)O ZINC000344798087 162123701 /nfs/dbraw/zinc/12/37/01/162123701.db2.gz XQPNTXQZLNMVFC-UILUVHTGSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)O ZINC000344797768 162124706 /nfs/dbraw/zinc/12/47/06/162124706.db2.gz RBMXTBGAJROZEO-FMIVXFBMSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[C@@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344821896 162128585 /nfs/dbraw/zinc/12/85/85/162128585.db2.gz JDPBTZBRGPJTSV-LDCOFTPGSA-N 1 0 278.352 2.749 20 5 CFBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000344965909 162155750 /nfs/dbraw/zinc/15/57/50/162155750.db2.gz HVNPRXLUIFNJSR-PWSUYJOCSA-N 1 0 252.339 2.578 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCCO ZINC000345030850 162164601 /nfs/dbraw/zinc/16/46/01/162164601.db2.gz LGULHSRZRZQXHA-CNELAYHGSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345047758 162169781 /nfs/dbraw/zinc/16/97/81/162169781.db2.gz AZJUDPOLOWXIPC-NOLJZWGESA-N 1 0 290.363 2.963 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109543940 286931965 /nfs/dbraw/zinc/93/19/65/286931965.db2.gz CLNWHBYDOGIQLZ-GXTWGEPZSA-N 1 0 264.325 2.815 20 5 CFBDRO CCC[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000346300338 162375715 /nfs/dbraw/zinc/37/57/15/162375715.db2.gz PSYKEKFMYYDQSE-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[C@H]3C3CC3)nc2c1 ZINC000348382612 162841429 /nfs/dbraw/zinc/84/14/29/162841429.db2.gz KZBOJDOLUITRKB-NWDGAFQWSA-N 1 0 286.335 2.749 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)O ZINC000349210123 162950120 /nfs/dbraw/zinc/95/01/20/162950120.db2.gz RTQMBXSGHLWBRT-NEPJUHHUSA-N 1 0 298.408 2.826 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccc(O)cc1 ZINC000349935409 163038778 /nfs/dbraw/zinc/03/87/78/163038778.db2.gz QEJWKEMRFCIPEW-UHFFFAOYSA-N 1 0 286.331 2.941 20 5 CFBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350119346 163060200 /nfs/dbraw/zinc/06/02/00/163060200.db2.gz ZDZZQPDWIBNFRK-DOMZBBRYSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCCOC1 ZINC000350393963 163075773 /nfs/dbraw/zinc/07/57/73/163075773.db2.gz QFTHVUQEKUBFNO-AWEZNQCLSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCCOC1 ZINC000350393964 163076569 /nfs/dbraw/zinc/07/65/69/163076569.db2.gz QFTHVUQEKUBFNO-CQSZACIVSA-N 1 0 264.325 2.562 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352676050 163221067 /nfs/dbraw/zinc/22/10/67/163221067.db2.gz SQVMZDUXYWMQQW-HONMWMINSA-N 1 0 264.325 2.501 20 5 CFBDRO CC1(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)COC1 ZINC000352760281 163228094 /nfs/dbraw/zinc/22/80/94/163228094.db2.gz BCBJNRQAWBUBSY-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO COc1cc(C[NH+]2CCC(C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000352770775 163230661 /nfs/dbraw/zinc/23/06/61/163230661.db2.gz UYXOOMGCXJHTAN-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000353037707 163292623 /nfs/dbraw/zinc/29/26/23/163292623.db2.gz KUBSNUUKYTWCKA-OCCSQVGLSA-N 1 0 278.352 2.665 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353032087 163293150 /nfs/dbraw/zinc/29/31/50/163293150.db2.gz WUVNBLLUJHOOEX-JTQLQIEISA-N 1 0 286.278 2.656 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)C1CC1 ZINC000353062509 163299770 /nfs/dbraw/zinc/29/97/70/163299770.db2.gz QRFPELRBPUIRCC-BLMSOEDDSA-N 1 0 290.363 2.606 20 5 CFBDRO CC(C)[C@](C)(CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353238144 163323650 /nfs/dbraw/zinc/32/36/50/163323650.db2.gz GLQRJCDEOCOZIT-VFADXPBXSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037177064 287016556 /nfs/dbraw/zinc/01/65/56/287016556.db2.gz VPJXPJSREFAVNX-LLVKDONJSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000343982828 287049414 /nfs/dbraw/zinc/04/94/14/287049414.db2.gz RWHKXETVSRKULD-NWDGAFQWSA-N 1 0 286.335 2.667 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc(C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000284429155 196053058 /nfs/dbraw/zinc/05/30/58/196053058.db2.gz RHQMTUQBLAZFRX-HNNXBMFYSA-N 1 0 288.351 2.878 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000284514695 196074769 /nfs/dbraw/zinc/07/47/69/196074769.db2.gz YSHPVKXSDQWHRK-LBPRGKRZSA-N 1 0 278.352 2.859 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000020089617 170989471 /nfs/dbraw/zinc/98/94/71/170989471.db2.gz SVIDMJYMRBGSMR-LMWSTFAQSA-N 1 0 278.352 2.857 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020089770 170989729 /nfs/dbraw/zinc/98/97/29/170989729.db2.gz NHGBBBKABHLWBR-ZDUSSCGKSA-N 1 0 279.384 2.896 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOCC1CC1 ZINC000020191135 171057239 /nfs/dbraw/zinc/05/72/39/171057239.db2.gz QUVIODYAPDKRAR-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CC(C)C[C@H](CNCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000020201784 171066519 /nfs/dbraw/zinc/06/65/19/171066519.db2.gz MASJIZFINKCEFO-CQSZACIVSA-N 1 0 279.384 2.661 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000284703644 196115279 /nfs/dbraw/zinc/11/52/79/196115279.db2.gz IHHNZUKZDNAGRY-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284952588 196163257 /nfs/dbraw/zinc/16/32/57/196163257.db2.gz FEUXZTUDUIMVCH-LLVKDONJSA-N 1 0 295.383 2.626 20 5 CFBDRO Cc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286332461 292561986 /nfs/dbraw/zinc/56/19/86/292561986.db2.gz LPBUUMHEXQLBFO-UONOGXRCSA-N 1 0 289.379 2.966 20 5 CFBDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035258927 172091292 /nfs/dbraw/zinc/09/12/92/172091292.db2.gz WEJWUZISIXJDOZ-ZDUSSCGKSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000285049892 196185752 /nfs/dbraw/zinc/18/57/52/196185752.db2.gz IVCMMSCHQTWBEJ-JBLDHEPKSA-N 1 0 266.366 2.997 20 5 CFBDRO CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000035414775 172189199 /nfs/dbraw/zinc/18/91/99/172189199.db2.gz XWONBJJBFOXVPB-UHFFFAOYSA-N 1 0 260.240 2.694 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035735510 172387680 /nfs/dbraw/zinc/38/76/80/172387680.db2.gz SZNPBPWOUOONHF-FZMZJTMJSA-N 1 0 264.325 2.560 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000285393900 196271051 /nfs/dbraw/zinc/27/10/51/196271051.db2.gz SQDGRPGOYKSGNS-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO CCOCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036228352 172526143 /nfs/dbraw/zinc/52/61/43/172526143.db2.gz RFELHDHFQAWDIO-LLVKDONJSA-N 1 0 252.314 2.590 20 5 CFBDRO CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010516 172868603 /nfs/dbraw/zinc/86/86/03/172868603.db2.gz BRTGIPHQOCSGHL-CQSZACIVSA-N 1 0 279.384 2.976 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000037292605 173096603 /nfs/dbraw/zinc/09/66/03/173096603.db2.gz MLODATIOQPKDCH-LSDHHAIUSA-N 1 0 289.379 2.620 20 5 CFBDRO CC[NH+](CC)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000037401038 173178527 /nfs/dbraw/zinc/17/85/27/173178527.db2.gz GMHNTQVVAFRLFM-UHFFFAOYSA-N 1 0 251.330 2.657 20 5 CFBDRO CC[NH+](CC)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420695 173197622 /nfs/dbraw/zinc/19/76/22/173197622.db2.gz GMWPFYMURWSHDB-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO CO[C@H](C)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790461 196399423 /nfs/dbraw/zinc/39/94/23/196399423.db2.gz TWBGYTOAVBDTIP-VXGBXAGGSA-N 1 0 266.341 2.931 20 5 CFBDRO CC(C)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079419 174089492 /nfs/dbraw/zinc/08/94/92/174089492.db2.gz ZRTKIRMUBYBIMG-NSHDSACASA-N 1 0 252.314 2.608 20 5 CFBDRO O=[N+]([O-])c1ccccc1NCC[NH+]1CCCCCC1 ZINC000040433121 174260903 /nfs/dbraw/zinc/26/09/03/174260903.db2.gz QOHIBHKTAFTWPD-UHFFFAOYSA-N 1 0 263.341 2.883 20 5 CFBDRO C[C@@H]1CCC[C@](CNc2ncccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670041 174368499 /nfs/dbraw/zinc/36/84/99/174368499.db2.gz TZUXGJAURKKOBV-DOMZBBRYSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000040675867 174373574 /nfs/dbraw/zinc/37/35/74/174373574.db2.gz PCUHXFSHNHBYIQ-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNCC[NH+]1CCCCCC1 ZINC000040767626 174398434 /nfs/dbraw/zinc/39/84/34/174398434.db2.gz LOSGNNXNUSGZFC-UHFFFAOYSA-N 1 0 277.368 2.560 20 5 CFBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000043569910 175067906 /nfs/dbraw/zinc/06/79/06/175067906.db2.gz AQYFLJSLMUCUOE-AGUYFDCRSA-N 1 0 275.352 2.940 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000044537761 175199866 /nfs/dbraw/zinc/19/98/66/175199866.db2.gz NBDLVLBYTIUKLT-LBPRGKRZSA-N 1 0 263.341 2.657 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000044572295 175209921 /nfs/dbraw/zinc/20/99/21/175209921.db2.gz XRZOTIDEQHRJES-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044690756 175233092 /nfs/dbraw/zinc/23/30/92/175233092.db2.gz VZLZGYNJDZPEEY-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000071954255 176304379 /nfs/dbraw/zinc/30/43/79/176304379.db2.gz MQKYDYQMJVQHQY-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO CO[C@@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000191145000 226526093 /nfs/dbraw/zinc/52/60/93/226526093.db2.gz AJZPTWWMZAZMFB-NSHDSACASA-N 1 0 266.341 2.843 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517756899 260189060 /nfs/dbraw/zinc/18/90/60/260189060.db2.gz LJAHRGOUJNKDOD-OPQQBVKSSA-N 1 0 264.325 2.595 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312854540 260212910 /nfs/dbraw/zinc/21/29/10/260212910.db2.gz WOLSHGUHNSPVCQ-WDEREUQCSA-N 1 0 281.331 2.937 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313165474 260255476 /nfs/dbraw/zinc/25/54/76/260255476.db2.gz SOAJUQQPHBPYTQ-HONMWMINSA-N 1 0 266.341 2.795 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000313338654 260285572 /nfs/dbraw/zinc/28/55/72/260285572.db2.gz ZUFZMDLSDFHRGA-QGZVFWFLSA-N 1 0 297.358 2.741 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223247965 270255939 /nfs/dbraw/zinc/25/59/39/270255939.db2.gz IUSAZAULDHPZAW-NWDGAFQWSA-N 1 0 263.341 2.798 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192841731 270235251 /nfs/dbraw/zinc/23/52/51/270235251.db2.gz NUOPGRDSSQRSKE-CABCVRRESA-N 1 0 278.352 2.723 20 5 CFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000237900388 270269045 /nfs/dbraw/zinc/26/90/45/270269045.db2.gz DQEGFPLNNLPQKU-ZIAGYGMSSA-N 1 0 291.351 2.831 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316113784 270294062 /nfs/dbraw/zinc/29/40/62/270294062.db2.gz FNVXFNSQXKFRAC-CABCVRRESA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000397270848 270316668 /nfs/dbraw/zinc/31/66/68/270316668.db2.gz MUNGQJZXXXAOIX-ZOWXZIJZSA-N 1 0 291.395 2.708 20 5 CFBDRO C[C@@H]([NH2+]CC1=CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000397759629 270319434 /nfs/dbraw/zinc/31/94/34/270319434.db2.gz PRAIUFSYEQGSFM-LLVKDONJSA-N 1 0 262.309 2.592 20 5 CFBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000398045097 270321129 /nfs/dbraw/zinc/32/11/29/270321129.db2.gz ARALJEQOQITWPC-JOYOIKCWSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420935638 270331839 /nfs/dbraw/zinc/33/18/39/270331839.db2.gz HXDYJZLWTAGEON-UBHSHLNASA-N 1 0 292.379 2.915 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1CO ZINC000514679694 270349228 /nfs/dbraw/zinc/34/92/28/270349228.db2.gz PUZUTADJBAKHCD-MRXNPFEDSA-N 1 0 298.342 2.864 20 5 CFBDRO CC(C)[C@@H]([NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280447 273545947 /nfs/dbraw/zinc/54/59/47/273545947.db2.gz UEUYYXOTHRSPFA-GJZGRUSLSA-N 1 0 291.395 2.890 20 5 CFBDRO C[NH+](C)C1(CNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000097934273 273791939 /nfs/dbraw/zinc/79/19/39/273791939.db2.gz QXMIYQUQHMMIIX-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000344536091 274211611 /nfs/dbraw/zinc/21/16/11/274211611.db2.gz KULJBGRWDRQALS-LRDDRELGSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H](CO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280331540 274226900 /nfs/dbraw/zinc/22/69/00/274226900.db2.gz HRWDAHBKJRXYBC-ZDUSSCGKSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645773 274384534 /nfs/dbraw/zinc/38/45/34/274384534.db2.gz XZOUIKOFJYQANA-NXEZZACHSA-N 1 0 274.324 2.701 20 5 CFBDRO C[C@H](CCO)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000271859059 274477422 /nfs/dbraw/zinc/47/74/22/274477422.db2.gz VPGCFUPTMZPSLH-CYBMUJFWSA-N 1 0 292.379 2.873 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250745684 275033607 /nfs/dbraw/zinc/03/36/07/275033607.db2.gz ALWDUXLTXNAYHR-MNOVXSKESA-N 1 0 296.758 2.682 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301772161 275033772 /nfs/dbraw/zinc/03/37/72/275033772.db2.gz GBXCXUJQUMSZTE-JTQLQIEISA-N 1 0 297.305 2.548 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000269765722 275039236 /nfs/dbraw/zinc/03/92/36/275039236.db2.gz FGJQWHVTZVMFOS-KRWDZBQOSA-N 1 0 298.342 2.518 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414951792 275741184 /nfs/dbraw/zinc/74/11/84/275741184.db2.gz QDLXUDWBWXOJCF-TZMCWYRMSA-N 1 0 291.395 2.948 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000267207727 276075185 /nfs/dbraw/zinc/07/51/85/276075185.db2.gz GZAUKCTVIIKDPT-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000362975202 276419112 /nfs/dbraw/zinc/41/91/12/276419112.db2.gz DQKOPJFQEPVGKP-IAQYHMDHSA-N 1 0 296.367 2.754 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000362975573 276560031 /nfs/dbraw/zinc/56/00/31/276560031.db2.gz GCFDCEHTHHQKRR-SMDDNHRTSA-N 1 0 266.341 2.746 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158486757 277069409 /nfs/dbraw/zinc/06/94/09/277069409.db2.gz YGBGHMNDVISGNQ-ZBFHGGJFSA-N 1 0 289.379 2.511 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406959 277158015 /nfs/dbraw/zinc/15/80/15/277158015.db2.gz BDXVZEZLTJRELN-GDBMZVCRSA-N 1 0 289.379 2.511 20 5 CFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282331498 277237819 /nfs/dbraw/zinc/23/78/19/277237819.db2.gz UTGAQNYYSPQGMT-DZGCQCFKSA-N 1 0 278.352 2.890 20 5 CFBDRO CO[C@@H](C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000354470870 277276286 /nfs/dbraw/zinc/27/62/86/277276286.db2.gz XIHPJDQHYGHEAW-ZDUSSCGKSA-N 1 0 296.367 2.719 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000040775295 277442280 /nfs/dbraw/zinc/44/22/80/277442280.db2.gz VAFYFIZTQLVPAZ-YPMHNXCESA-N 1 0 266.341 2.652 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110365 277544588 /nfs/dbraw/zinc/54/45/88/277544588.db2.gz CKDBRABJDOBSPQ-VXGBXAGGSA-N 1 0 266.341 2.540 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358178200 277712181 /nfs/dbraw/zinc/71/21/81/277712181.db2.gz PZXVQUDKKIHVJK-CHWSQXEVSA-N 1 0 280.368 2.931 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000122957616 277939283 /nfs/dbraw/zinc/93/92/83/277939283.db2.gz QUBXXHDBVOQDLY-QWRGUYRKSA-N 1 0 264.325 2.976 20 5 CFBDRO C[C@@H](CCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315566 278234781 /nfs/dbraw/zinc/23/47/81/278234781.db2.gz SHYHDNCEPPNBHN-NHYWBVRUSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000250065696 278282050 /nfs/dbraw/zinc/28/20/50/278282050.db2.gz NLNVJCGSBFDZCI-WHOFXGATSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000037140924 278335441 /nfs/dbraw/zinc/33/54/41/278335441.db2.gz UBEWGNJONKWHBA-GFCCVEGCSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000042814932 278350705 /nfs/dbraw/zinc/35/07/05/278350705.db2.gz FBGTTWVFOYBXMY-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447580828 278372380 /nfs/dbraw/zinc/37/23/80/278372380.db2.gz QJASYHBWKLFYMR-FRRDWIJNSA-N 1 0 292.383 2.911 20 5 CFBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164183 278391060 /nfs/dbraw/zinc/39/10/60/278391060.db2.gz YMSRCKAEFSJPQO-QWHCGFSZSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261648697 278552626 /nfs/dbraw/zinc/55/26/26/278552626.db2.gz QAEBFQPPBOOHEU-MFKMUULPSA-N 1 0 297.786 2.807 20 5 CFBDRO CC[C@H](N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423573814 288066490 /nfs/dbraw/zinc/06/64/90/288066490.db2.gz ZQCJNNQBMJPUKU-HIFRSBDPSA-N 1 0 277.368 2.778 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000343255609 278787327 /nfs/dbraw/zinc/78/73/27/278787327.db2.gz VLMZWVVRQFOGNF-UHFFFAOYSA-N 1 0 277.368 2.907 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](C)O ZINC000453337190 288082625 /nfs/dbraw/zinc/08/26/25/288082625.db2.gz KZJNJJLGFPBDFF-WZRBSPASSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@@]1(F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347397572 279165746 /nfs/dbraw/zinc/16/57/46/279165746.db2.gz WLCYYTAYZPZMBX-CYBMUJFWSA-N 1 0 252.289 2.571 20 5 CFBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cn1 ZINC000065944878 280467157 /nfs/dbraw/zinc/46/71/57/280467157.db2.gz RWFDOOWRKTWSAP-UHFFFAOYSA-N 1 0 266.345 2.524 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000071207211 280486782 /nfs/dbraw/zinc/48/67/82/280486782.db2.gz JOIDKPMXAIGPIW-SMDDNHRTSA-N 1 0 264.325 2.752 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000151130280 280800512 /nfs/dbraw/zinc/80/05/12/280800512.db2.gz QCOFYPPOSGKBRR-CYBMUJFWSA-N 1 0 288.351 2.841 20 5 CFBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192537165 280909625 /nfs/dbraw/zinc/90/96/25/280909625.db2.gz ONBFJGVVXIVMEK-JTQLQIEISA-N 1 0 284.385 2.728 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247407944 281011271 /nfs/dbraw/zinc/01/12/71/281011271.db2.gz CADQYSHSJIYTRT-VXGBXAGGSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000182697163 281019526 /nfs/dbraw/zinc/01/95/26/281019526.db2.gz FCPCOZOHKMCJIR-CYBMUJFWSA-N 1 0 289.379 2.744 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420306698 281022034 /nfs/dbraw/zinc/02/20/34/281022034.db2.gz AUEBHYAGZOJQOJ-MJBXVCDLSA-N 1 0 289.379 2.506 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000252732059 281077448 /nfs/dbraw/zinc/07/74/48/281077448.db2.gz SVIDMJYMRBGSMR-MRVWCRGKSA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273080506 281123113 /nfs/dbraw/zinc/12/31/13/281123113.db2.gz QLRLSHHZINEHRA-GJZGRUSLSA-N 1 0 276.336 2.642 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)COC1 ZINC000393957479 281193646 /nfs/dbraw/zinc/19/36/46/281193646.db2.gz IRVXIRBHROKXHY-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO C[NH+](C)C1(CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000397818934 281202350 /nfs/dbraw/zinc/20/23/50/281202350.db2.gz SWFFTSQMLVGNGW-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cccc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000338653937 281224365 /nfs/dbraw/zinc/22/43/65/281224365.db2.gz WLROEBKQNDVGGC-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1cccc(N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375345140 281225851 /nfs/dbraw/zinc/22/58/51/281225851.db2.gz LGZBZSMGJMBTCQ-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cccc(N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000188371206 281226104 /nfs/dbraw/zinc/22/61/04/281226104.db2.gz WFGQHYHBRBPEFJ-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1cccc(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000302494414 281244602 /nfs/dbraw/zinc/24/46/02/281244602.db2.gz LKVAVTKCLMYJNL-ZDUSSCGKSA-N 1 0 263.341 2.655 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000301183881 281259864 /nfs/dbraw/zinc/25/98/64/281259864.db2.gz OHJPPTLWGRRDPZ-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO CC[NH+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000459484394 281267455 /nfs/dbraw/zinc/26/74/55/281267455.db2.gz SLUVZOYUWZLFQE-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000527198005 281325811 /nfs/dbraw/zinc/32/58/11/281325811.db2.gz UCXPINIATOJUAI-QWRGUYRKSA-N 1 0 252.314 2.589 20 5 CFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000537288820 281535280 /nfs/dbraw/zinc/53/52/80/281535280.db2.gz CXYCBZSDYPGJIR-CYBMUJFWSA-N 1 0 293.367 2.948 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546705136 281718081 /nfs/dbraw/zinc/71/80/81/281718081.db2.gz LWFKYHOFTWGREH-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000560907248 282043570 /nfs/dbraw/zinc/04/35/70/282043570.db2.gz CSVNLPHIJUWMEE-AVGNSLFASA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296781910 290060797 /nfs/dbraw/zinc/06/07/97/290060797.db2.gz QFXPAWONPGXSDL-ZHPDPMBESA-N 1 0 264.325 2.811 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000563122743 290105646 /nfs/dbraw/zinc/10/56/46/290105646.db2.gz PDLIHASINWWLGM-NEPJUHHUSA-N 1 0 282.315 2.974 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000563124939 290106082 /nfs/dbraw/zinc/10/60/82/290106082.db2.gz LGRYUDXVIQJGBU-GMXABZIVSA-N 1 0 276.336 2.739 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817557 290181707 /nfs/dbraw/zinc/18/17/07/290181707.db2.gz MQZNIRAXWALJOB-DGCLKSJQSA-N 1 0 293.342 2.654 20 5 CFBDRO COc1cc(CSCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000564925346 290250039 /nfs/dbraw/zinc/25/00/39/290250039.db2.gz AQAQVQFRHKXFER-UHFFFAOYSA-N 1 0 296.392 2.836 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565842968 290329503 /nfs/dbraw/zinc/32/95/03/290329503.db2.gz JKYHSDDNKKNZFS-SKDRFNHKSA-N 1 0 252.289 2.920 20 5 CFBDRO O=[N+]([O-])c1ccc(CCSCC2CC[NH2+]CC2)cc1 ZINC000566182303 290356838 /nfs/dbraw/zinc/35/68/38/290356838.db2.gz CTDUOQQEHBAUEM-UHFFFAOYSA-N 1 0 280.393 2.870 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242816 290361550 /nfs/dbraw/zinc/36/15/50/290361550.db2.gz KZOYDHSLVQJJRM-XJKSGUPXSA-N 1 0 289.379 2.731 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566630353 290406598 /nfs/dbraw/zinc/40/65/98/290406598.db2.gz JRMLCDFVSRPRFN-HIFRSBDPSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000449071632 298919237 /nfs/dbraw/zinc/91/92/37/298919237.db2.gz BTCQMQVLDGEWFR-XUJVJEKNSA-N 1 0 278.352 2.683 20 5 CFBDRO COCCOCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163428666 322375725 /nfs/dbraw/zinc/37/57/25/322375725.db2.gz ZARKDTGAUJMINQ-CYBMUJFWSA-N 1 0 296.367 2.607 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000570985789 322562980 /nfs/dbraw/zinc/56/29/80/322562980.db2.gz OEVRDOTZWVRASG-SGIREYDYSA-N 1 0 290.363 2.723 20 5 CFBDRO Cn1ncc2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc21 ZINC000571702856 322593502 /nfs/dbraw/zinc/59/35/02/322593502.db2.gz GKHNSHOPRYIMHR-UHFFFAOYSA-N 1 0 296.330 2.771 20 5 CFBDRO COC[C@@H](C)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000571739014 322594108 /nfs/dbraw/zinc/59/41/08/322594108.db2.gz DQHLESANUGVTSO-NSHDSACASA-N 1 0 266.341 2.702 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)CC1CCC1 ZINC000574703425 322702959 /nfs/dbraw/zinc/70/29/59/322702959.db2.gz MTQFNVYAORHPGQ-DOMZBBRYSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351145682 324327075 /nfs/dbraw/zinc/32/70/75/324327075.db2.gz KBIKWNDHDKHIIA-RKDXNWHRSA-N 1 0 292.295 2.611 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025691 324809480 /nfs/dbraw/zinc/80/94/80/324809480.db2.gz AQENYZMILNCEQX-UONOGXRCSA-N 1 0 278.352 2.579 20 5 CFBDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578174782 324823681 /nfs/dbraw/zinc/82/36/81/324823681.db2.gz LKIDHEXLHJUFCU-VXGBXAGGSA-N 1 0 288.351 2.995 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580581224 325049084 /nfs/dbraw/zinc/04/90/84/325049084.db2.gz HFVCFUCVGNFPHJ-JOYOIKCWSA-N 1 0 266.366 2.923 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580581222 325049242 /nfs/dbraw/zinc/04/92/42/325049242.db2.gz HFVCFUCVGNFPHJ-CABZTGNLSA-N 1 0 266.366 2.923 20 5 CFBDRO CS[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580581227 325049324 /nfs/dbraw/zinc/04/93/24/325049324.db2.gz HFVCFUCVGNFPHJ-SKDRFNHKSA-N 1 0 266.366 2.923 20 5 CFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580963460 325078881 /nfs/dbraw/zinc/07/88/81/325078881.db2.gz RQGNVEVYWJHLJJ-SMDDNHRTSA-N 1 0 292.379 2.969 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000581083363 325089193 /nfs/dbraw/zinc/08/91/93/325089193.db2.gz XNKDFMKOHKODLX-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000581617824 325137751 /nfs/dbraw/zinc/13/77/51/325137751.db2.gz FNRILTWRJUGJOQ-SUNKGSAMSA-N 1 0 276.336 2.739 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736518 325147405 /nfs/dbraw/zinc/14/74/05/325147405.db2.gz YIBGQVYFBJCSEF-SMDDNHRTSA-N 1 0 278.352 2.580 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000582042630 325170981 /nfs/dbraw/zinc/17/09/81/325170981.db2.gz NPNQNBWVTVZVTO-RBSFLKMASA-N 1 0 276.336 2.739 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000583844878 325313941 /nfs/dbraw/zinc/31/39/41/325313941.db2.gz JRAUWGCJDFSKIT-VXGBXAGGSA-N 1 0 275.352 2.940 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158261312 500809547 /nfs/dbraw/zinc/80/95/47/500809547.db2.gz OHHFMFGJMXPVKB-GFCCVEGCSA-N 1 0 266.341 2.980 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413075460 533830443 /nfs/dbraw/zinc/83/04/43/533830443.db2.gz RXPJCAWYAYMJBP-MNOVXSKESA-N 1 0 296.346 2.661 20 5 CFBDRO C[C@@H]1CCNC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917287 534099940 /nfs/dbraw/zinc/09/99/40/534099940.db2.gz FVSXOXWOMYVFRY-CZUORRHYSA-N 1 0 291.395 2.505 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CC2 ZINC000417345014 534254463 /nfs/dbraw/zinc/25/44/63/534254463.db2.gz XDGFOYHLORPPAU-AAEUAGOBSA-N 1 0 260.337 2.916 20 5 CFBDRO CCC[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074289950 519851568 /nfs/dbraw/zinc/85/15/68/519851568.db2.gz HGSCOYFKIGRKOM-UHFFFAOYSA-N 1 0 291.395 2.555 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081537259 520181474 /nfs/dbraw/zinc/18/14/74/520181474.db2.gz MUDXCOACYIEVFK-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO CCCC[N@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163522329 520409867 /nfs/dbraw/zinc/40/98/67/520409867.db2.gz YWWJWSQRQFHERH-ZDUSSCGKSA-N 1 0 279.384 2.977 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000068853217 520536038 /nfs/dbraw/zinc/53/60/38/520536038.db2.gz WXKHGESHXCEDFO-UHFFFAOYSA-N 1 0 296.367 2.852 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000224694366 520575734 /nfs/dbraw/zinc/57/57/34/520575734.db2.gz RPWRWPUPFMPZTD-GJZGRUSLSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[N@H+](CCNc1ccc(C(C)=O)cc1[N+](=O)[O-])C(C)C ZINC000338717293 521084103 /nfs/dbraw/zinc/08/41/03/521084103.db2.gz JJICPNAVMKLBCF-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@@H](C)OC ZINC000361018603 521281328 /nfs/dbraw/zinc/28/13/28/521281328.db2.gz SXTJSZXMCSBUOR-GFCCVEGCSA-N 1 0 296.367 2.850 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCF ZINC000361076606 521281736 /nfs/dbraw/zinc/28/17/36/521281736.db2.gz FHGYOAORGDPNBB-UHFFFAOYSA-N 1 0 270.304 2.833 20 5 CFBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480394 521512782 /nfs/dbraw/zinc/51/27/82/521512782.db2.gz JHUQTDTYSNRLPH-NSHDSACASA-N 1 0 279.340 2.572 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccccc1[N+](=O)[O-] ZINC000420282209 534572122 /nfs/dbraw/zinc/57/21/22/534572122.db2.gz MRRWMTNDCYFILJ-QLHKPRNWSA-N 1 0 261.325 2.523 20 5 CFBDRO COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000312106712 522630009 /nfs/dbraw/zinc/63/00/09/522630009.db2.gz XCKJTTRPGSYGLX-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000218863397 522766169 /nfs/dbraw/zinc/76/61/69/522766169.db2.gz UGUBWVORUOPONX-UWVGGRQHSA-N 1 0 297.330 2.637 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000300240636 522766744 /nfs/dbraw/zinc/76/67/44/522766744.db2.gz UGUBWVORUOPONX-ZJUUUORDSA-N 1 0 297.330 2.637 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045656815 522847259 /nfs/dbraw/zinc/84/72/59/522847259.db2.gz HJJQOQRUYNEYLG-BXUZGUMPSA-N 1 0 266.341 2.918 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000228942009 522929685 /nfs/dbraw/zinc/92/96/85/522929685.db2.gz RGPBLBVJEDNIFD-BXUZGUMPSA-N 1 0 293.367 2.549 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361297 523383067 /nfs/dbraw/zinc/38/30/67/523383067.db2.gz IKKIKCLZRLODPT-JSGCOSHPSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000076073144 523444873 /nfs/dbraw/zinc/44/48/73/523444873.db2.gz FYGHXJJGGFLGMV-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163845017 524292123 /nfs/dbraw/zinc/29/21/23/524292123.db2.gz ZKYMVDJXUXLICV-JQWIXIFHSA-N 1 0 297.786 2.665 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000230667301 524577331 /nfs/dbraw/zinc/57/73/31/524577331.db2.gz ZENWUPSMUQIBJO-TZMCWYRMSA-N 1 0 278.352 2.544 20 5 CFBDRO CC(=O)c1cc(NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000342011063 534823505 /nfs/dbraw/zinc/82/35/05/534823505.db2.gz QICODGOIUAFIDM-OAHLLOKOSA-N 1 0 291.351 2.550 20 5 CFBDRO Cc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159609185 525313702 /nfs/dbraw/zinc/31/37/02/525313702.db2.gz OAHFZFAQZKEBOT-VXGBXAGGSA-N 1 0 275.352 2.940 20 5 CFBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000311111264 525332495 /nfs/dbraw/zinc/33/24/95/525332495.db2.gz VIGKJZQYEJHIIG-UHFFFAOYSA-N 1 0 270.329 2.719 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230410149 525363506 /nfs/dbraw/zinc/36/35/06/525363506.db2.gz QLGNDNWVAPKJGQ-NWDGAFQWSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000340321316 525540994 /nfs/dbraw/zinc/54/09/94/525540994.db2.gz AYAMLQLZFLAEQF-BXUZGUMPSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000222672443 525572925 /nfs/dbraw/zinc/57/29/25/525572925.db2.gz OYOGIQJDSHLHBU-COLVAYQJSA-N 1 0 276.336 2.813 20 5 CFBDRO Cc1ccnc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000360263320 525693864 /nfs/dbraw/zinc/69/38/64/525693864.db2.gz BAQQHNFLWLSTMI-QWHCGFSZSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1c(C[NH2+]Cc2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000235817493 525724979 /nfs/dbraw/zinc/72/49/79/525724979.db2.gz UDXVAFPHYODGQH-UHFFFAOYSA-N 1 0 275.283 2.727 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cccc1[N+](=O)[O-] ZINC000166262586 525896944 /nfs/dbraw/zinc/89/69/44/525896944.db2.gz VFSKQLQJCDGFIG-MLGOLLRUSA-N 1 0 291.395 2.894 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000361352896 525917725 /nfs/dbraw/zinc/91/77/25/525917725.db2.gz RRAANDNVFZYFSO-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000311448360 525919092 /nfs/dbraw/zinc/91/90/92/525919092.db2.gz RKTKGECXNCYGBC-NSHDSACASA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000084726458 526060377 /nfs/dbraw/zinc/06/03/77/526060377.db2.gz SGGVFWSOWKSSAD-LBPRGKRZSA-N 1 0 263.341 2.657 20 5 CFBDRO Cc1n[nH]cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080347182 526552629 /nfs/dbraw/zinc/55/26/29/526552629.db2.gz AXKOCUANAVHUME-UHFFFAOYSA-N 1 0 274.324 2.651 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449760360 536506405 /nfs/dbraw/zinc/50/64/05/536506405.db2.gz NYISFNZFYCWLKB-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193848204 527348795 /nfs/dbraw/zinc/34/87/95/527348795.db2.gz PMYJMYQVUKHTGZ-ZDUSSCGKSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000314789463 527351063 /nfs/dbraw/zinc/35/10/63/527351063.db2.gz MXWRVTABAIZCLA-NWDGAFQWSA-N 1 0 296.342 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000314767659 527367657 /nfs/dbraw/zinc/36/76/57/527367657.db2.gz AAWRFXHUZQKAPB-NSHDSACASA-N 1 0 298.346 2.792 20 5 CFBDRO [NH3+][C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000262088916 527373619 /nfs/dbraw/zinc/37/36/19/527373619.db2.gz YHZSSUPIAQOQDY-DLBZAZTESA-N 1 0 297.358 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000061589588 527386205 /nfs/dbraw/zinc/38/62/05/527386205.db2.gz BSNRWQFLUKZRSA-LLVKDONJSA-N 1 0 252.339 2.580 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000071373504 527386363 /nfs/dbraw/zinc/38/63/63/527386363.db2.gz ZJHHYPFQVRDAGI-UHFFFAOYSA-N 1 0 282.303 2.532 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000066535073 527386941 /nfs/dbraw/zinc/38/69/41/527386941.db2.gz XLFFNNVKJWEHPW-INIZCTEOSA-N 1 0 289.379 2.655 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC3CCC2CC3)c1 ZINC000361995869 527394067 /nfs/dbraw/zinc/39/40/67/527394067.db2.gz JCOMHKVQMNXZJQ-ABIUDSBCSA-N 1 0 276.336 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccco1 ZINC000237949520 527397933 /nfs/dbraw/zinc/39/79/33/527397933.db2.gz ULXWNXMHELXOMX-ZZXKWVIFSA-N 1 0 258.277 2.991 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCF)n1 ZINC000361002980 527408580 /nfs/dbraw/zinc/40/85/80/527408580.db2.gz MOIZEBGSKSWOLG-RYUDHWBXSA-N 1 0 284.335 2.614 20 5 CFBDRO CC(C)c1ccc(CNC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414821032 528100575 /nfs/dbraw/zinc/10/05/75/528100575.db2.gz BNQJYTVSYFOHEI-ZDUSSCGKSA-N 1 0 277.368 2.560 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111045826 528113544 /nfs/dbraw/zinc/11/35/44/528113544.db2.gz XLWNBQGVJUHYJQ-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000133293387 528180338 /nfs/dbraw/zinc/18/03/38/528180338.db2.gz CUMHQNMQWRJVQP-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO CCC[NH2+]CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423316058 528515881 /nfs/dbraw/zinc/51/58/81/528515881.db2.gz XVHGWKUWGQMVIS-GFCCVEGCSA-N 1 0 265.357 2.553 20 5 CFBDRO CC(C)C[C@H](CN)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835153 528517084 /nfs/dbraw/zinc/51/70/84/528517084.db2.gz HEGMSVMQNCDWOP-DZGCQCFKSA-N 1 0 293.411 2.879 20 5 CFBDRO CC(C)C[C@H]([NH3+])CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000414711768 528553872 /nfs/dbraw/zinc/55/38/72/528553872.db2.gz MYFSMTYKTSZGRQ-ZDUSSCGKSA-N 1 0 279.384 2.793 20 5 CFBDRO CCC([NH3+])(CC)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423289958 528952368 /nfs/dbraw/zinc/95/23/68/528952368.db2.gz YRKLQSQRCMJQCC-LLVKDONJSA-N 1 0 265.357 2.763 20 5 CFBDRO CC[C@@H](NC[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275656 529178629 /nfs/dbraw/zinc/17/86/29/529178629.db2.gz NHMBMWHNAIDZMX-UONOGXRCSA-N 1 0 265.357 2.619 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(C)C ZINC000414522933 529184650 /nfs/dbraw/zinc/18/46/50/529184650.db2.gz GGXONWBDERVVBB-ZIAGYGMSSA-N 1 0 284.331 2.619 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000174369713 529297497 /nfs/dbraw/zinc/29/74/97/529297497.db2.gz COOGHHIXDXAUAY-LBPRGKRZSA-N 1 0 266.366 2.922 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000450387545 535077310 /nfs/dbraw/zinc/07/73/10/535077310.db2.gz GPGCIGNKFHRWGE-ZDUSSCGKSA-N 1 0 292.383 2.770 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)COC1 ZINC000453380808 535297085 /nfs/dbraw/zinc/29/70/85/535297085.db2.gz RIMVDCRVRYMPRW-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCCO)cc1[N+](=O)[O-] ZINC000192927980 535411134 /nfs/dbraw/zinc/41/11/34/535411134.db2.gz ZVLLUMVKCWSEHD-GFCCVEGCSA-N 1 0 296.367 2.807 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000459781536 535948237 /nfs/dbraw/zinc/94/82/37/535948237.db2.gz SVAZRMABMUDJKL-HONMWMINSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]1CC[N@H+](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744450601 574075250 /nfs/dbraw/zinc/07/52/50/574075250.db2.gz XKGVIRPCTNIJHL-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO O=C(CCCC[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000729296563 574197705 /nfs/dbraw/zinc/19/77/05/574197705.db2.gz ZWWMXBSLMCLIPD-UHFFFAOYSA-N 1 0 291.351 2.799 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOc1cccc([N+](=O)[O-])c1 ZINC000747576954 574201899 /nfs/dbraw/zinc/20/18/99/574201899.db2.gz YHFOUNJFIWOOGI-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2F)c1 ZINC000749645204 574304105 /nfs/dbraw/zinc/30/41/05/574304105.db2.gz HOZAXQIFSCWDRI-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO CCC[N@H+](CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742148365 574316631 /nfs/dbraw/zinc/31/66/31/574316631.db2.gz REFDBCHGCUYHJH-UHFFFAOYSA-N 1 0 289.339 2.543 20 5 CFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079460 574323189 /nfs/dbraw/zinc/32/31/89/574323189.db2.gz VTYGLNZKDXIIJL-DOMZBBRYSA-N 1 0 278.352 2.893 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095488 574324136 /nfs/dbraw/zinc/32/41/36/574324136.db2.gz ZCJXVTIHTBZHDM-DZGCQCFKSA-N 1 0 278.352 2.606 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000743652793 574370240 /nfs/dbraw/zinc/37/02/40/574370240.db2.gz DZDZDVKDIWNMFG-VIFPVBQESA-N 1 0 275.135 2.878 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSC[C@H]1C ZINC000934297531 617990706 /nfs/dbraw/zinc/99/07/06/617990706.db2.gz CCLXETOPTJITDB-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000807983549 618033403 /nfs/dbraw/zinc/03/34/03/618033403.db2.gz PPANHDYAMOABJQ-PWSUYJOCSA-N 1 0 291.351 2.692 20 5 CFBDRO Cc1c(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000049565064 617610936 /nfs/dbraw/zinc/61/09/36/617610936.db2.gz YRVZHIFNDYPEPR-GOEBONIOSA-N 1 0 289.379 2.620 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891694852 617714318 /nfs/dbraw/zinc/71/43/18/617714318.db2.gz SCUUHPQEHMKBRX-SNVBAGLBSA-N 1 0 282.340 2.787 20 5 CFBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000934127797 617913015 /nfs/dbraw/zinc/91/30/15/617913015.db2.gz YZCKXTUPSVAQRZ-KGLIPLIRSA-N 1 0 264.325 2.512 20 5 CFBDRO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCC1 ZINC000892086235 617942390 /nfs/dbraw/zinc/94/23/90/617942390.db2.gz OLBVOHCXVWIUOH-UHFFFAOYSA-N 1 0 280.324 2.683 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000050015753 618060480 /nfs/dbraw/zinc/06/04/80/618060480.db2.gz UPNDQQIBKWCLBL-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000050370811 618116866 /nfs/dbraw/zinc/11/68/66/618116866.db2.gz RTIPWWWPMQCDLS-QWHCGFSZSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000219095829 618159901 /nfs/dbraw/zinc/15/99/01/618159901.db2.gz IEEQJHSQPMHDBV-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000219546634 618202277 /nfs/dbraw/zinc/20/22/77/618202277.db2.gz FUHDVGWKYPEHJT-GFCCVEGCSA-N 1 0 279.384 2.723 20 5 CFBDRO CSCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000070185001 618208048 /nfs/dbraw/zinc/20/80/48/618208048.db2.gz JMJYEOMUKFTCRJ-UHFFFAOYSA-N 1 0 260.746 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccncc1 ZINC000093632724 618208790 /nfs/dbraw/zinc/20/87/90/618208790.db2.gz QQQCVNBDBHJTPF-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO CCCCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892425832 618256086 /nfs/dbraw/zinc/25/60/86/618256086.db2.gz BCMVFRBNKADVRG-UHFFFAOYSA-N 1 0 282.340 2.979 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2CCCCC2)c1[N+](=O)[O-] ZINC000892427686 618257370 /nfs/dbraw/zinc/25/73/70/618257370.db2.gz UCWLXAWULWPXLS-UHFFFAOYSA-N 1 0 294.351 2.979 20 5 CFBDRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893327658 618367023 /nfs/dbraw/zinc/36/70/23/618367023.db2.gz DLGLKGFFFYURRH-PWSUYJOCSA-N 1 0 299.168 2.858 20 5 CFBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925639435 618374992 /nfs/dbraw/zinc/37/49/92/618374992.db2.gz BRFBVDABHXRLBX-JKSUJKDBSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000062350957 618375863 /nfs/dbraw/zinc/37/58/63/618375863.db2.gz SYLXFDFNAHACKO-ZOWXZIJZSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351018 618376036 /nfs/dbraw/zinc/37/60/36/618376036.db2.gz XAZHCHIQDJYTEW-JMSVASOKSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1Cl ZINC000841105331 618376501 /nfs/dbraw/zinc/37/65/01/618376501.db2.gz JZGKAFBXTMUHNV-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cc(C[NH+]3CCCCC3)on2)o1 ZINC000901398726 620805810 /nfs/dbraw/zinc/80/58/10/620805810.db2.gz HLENGQLBQUFXJV-UHFFFAOYSA-N 1 0 277.280 2.829 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000895235615 618491250 /nfs/dbraw/zinc/49/12/50/618491250.db2.gz HNFPWVHHDMGULG-JQWIXIFHSA-N 1 0 292.335 2.683 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000895390898 618564028 /nfs/dbraw/zinc/56/40/28/618564028.db2.gz CBNBHHKLKYMAKB-NSHDSACASA-N 1 0 280.324 2.587 20 5 CFBDRO Cc1cc(F)ncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000892938200 618773915 /nfs/dbraw/zinc/77/39/15/618773915.db2.gz ZSUIDUOTLXQUEK-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000119867532 618806815 /nfs/dbraw/zinc/80/68/15/618806815.db2.gz HJXCLDZOFHXZQH-DZGCQCFKSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000119867673 618806895 /nfs/dbraw/zinc/80/68/95/618806895.db2.gz HJXCLDZOFHXZQH-UKRRQHHQSA-N 1 0 278.352 2.950 20 5 CFBDRO CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000092628206 618916972 /nfs/dbraw/zinc/91/69/72/618916972.db2.gz ZGTFDRPSTKHABH-GFCCVEGCSA-N 1 0 297.786 2.774 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C[NH3+] ZINC000093874198 619063185 /nfs/dbraw/zinc/06/31/85/619063185.db2.gz WLRPBLPWVMBZCV-UHFFFAOYSA-N 1 0 285.775 2.665 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000072916924 619083398 /nfs/dbraw/zinc/08/33/98/619083398.db2.gz KUVYGCSLOXLVOM-CYBMUJFWSA-N 1 0 280.372 2.734 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000893866560 619231042 /nfs/dbraw/zinc/23/10/42/619231042.db2.gz JGCFOYNLFKCYSV-GXSJLCMTSA-N 1 0 280.324 2.587 20 5 CFBDRO C[C@@H](Cc1cnccn1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000726606088 619252983 /nfs/dbraw/zinc/25/29/83/619252983.db2.gz SOOAHXQDFJOJMD-BPJJOFIESA-N 1 0 298.346 2.619 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261787542 619266704 /nfs/dbraw/zinc/26/67/04/619266704.db2.gz FYHDHFNHOFMQCP-CMPLNLGQSA-N 1 0 297.786 2.807 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632868 619284221 /nfs/dbraw/zinc/28/42/21/619284221.db2.gz RBAAENWRNYYNOY-DGCLKSJQSA-N 1 0 284.743 2.905 20 5 CFBDRO C[NH+]1C[C@]2(C)CN(c3c(F)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894801930 619469737 /nfs/dbraw/zinc/46/97/37/619469737.db2.gz KQAGJMVSPSHLRD-HUUCEWRRSA-N 1 0 293.342 2.512 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000894849913 619483205 /nfs/dbraw/zinc/48/32/05/619483205.db2.gz GDPOFRAYAMFMJA-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000894944344 619515060 /nfs/dbraw/zinc/51/50/60/619515060.db2.gz PDHBQDMXPNOGHU-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)C[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000895482301 619541354 /nfs/dbraw/zinc/54/13/54/619541354.db2.gz ULKLYBVDPVLKPU-LLVKDONJSA-N 1 0 294.351 2.787 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@]2(C)CC2(C)C)c1[N+](=O)[O-] ZINC000895997109 619650401 /nfs/dbraw/zinc/65/04/01/619650401.db2.gz FLBKWQYQXYGXAG-HNNXBMFYSA-N 1 0 294.351 2.835 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000020526289 619844119 /nfs/dbraw/zinc/84/41/19/619844119.db2.gz RBCCXZFGYWSBFA-SUNKGSAMSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+]Cc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000168895357 620139727 /nfs/dbraw/zinc/13/97/27/620139727.db2.gz UAVOIRQJMHKHSI-SECBINFHSA-N 1 0 263.322 2.902 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461730 620176616 /nfs/dbraw/zinc/17/66/16/620176616.db2.gz WSCDSBXZJJORBL-AXAPSJFSSA-N 1 0 290.363 2.855 20 5 CFBDRO C[C@H](C[NH2+]CCC[C@@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000897461100 620176665 /nfs/dbraw/zinc/17/66/65/620176665.db2.gz LGIBTGQNWNECEM-CHWSQXEVSA-N 1 0 278.352 2.857 20 5 CFBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000897461477 620176761 /nfs/dbraw/zinc/17/67/61/620176761.db2.gz QBLJIIQOEKNNNU-SNVBAGLBSA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000897465871 620176960 /nfs/dbraw/zinc/17/69/60/620176960.db2.gz JULXSPVCUJCXMC-LBPRGKRZSA-N 1 0 273.336 2.827 20 5 CFBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000897464889 620177187 /nfs/dbraw/zinc/17/71/87/620177187.db2.gz QABCHQVYOMIPNX-SNVBAGLBSA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897465822 620177204 /nfs/dbraw/zinc/17/72/04/620177204.db2.gz ISGSUQPHOGBYQO-QWHCGFSZSA-N 1 0 278.352 2.857 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179251132 620217305 /nfs/dbraw/zinc/21/73/05/620217305.db2.gz IXDVIIAZTSPLQW-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)cc1[N+](=O)[O-] ZINC000897530397 620218983 /nfs/dbraw/zinc/21/89/83/620218983.db2.gz HBURWUQSNBOWDL-UHFFFAOYSA-N 1 0 290.363 2.688 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000897957378 620311318 /nfs/dbraw/zinc/31/13/18/620311318.db2.gz CKRKPLDPQMIBGZ-NWANDNLSSA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC([NH2+]C3CCC3)CC2)cs1 ZINC000897980629 620317812 /nfs/dbraw/zinc/31/78/12/620317812.db2.gz AVNLEVUILZFYFC-UHFFFAOYSA-N 1 0 295.408 2.763 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C1CC1 ZINC000898204421 620344547 /nfs/dbraw/zinc/34/45/47/620344547.db2.gz UDIMMTNLHBTALE-ONOODXEBSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1ncccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000898256083 620365039 /nfs/dbraw/zinc/36/50/39/620365039.db2.gz RHOPFYGNWUGHOK-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898375282 620377034 /nfs/dbraw/zinc/37/70/34/620377034.db2.gz CPHNXEUBKLLYPL-ILXRZTDVSA-N 1 0 288.347 2.597 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000927023622 620441318 /nfs/dbraw/zinc/44/13/18/620441318.db2.gz DTVXEKPTWFFGCR-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1nc(-c2ccc(C[NH2+]CC[N+](=O)[O-])s2)cs1 ZINC000899867355 620607394 /nfs/dbraw/zinc/60/73/94/620607394.db2.gz PSQICGYBFABVKU-UHFFFAOYSA-N 1 0 283.378 2.546 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]2C2CCCC2)c1 ZINC000899912917 620612830 /nfs/dbraw/zinc/61/28/30/620612830.db2.gz SWMMRSQFVBKBEX-JKSUJKDBSA-N 1 0 290.363 2.893 20 5 CFBDRO CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902464574 621098233 /nfs/dbraw/zinc/09/82/33/621098233.db2.gz AKFDOPBWERVNBS-ZGKBOVNRSA-N 1 0 275.352 2.528 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903083346 621246061 /nfs/dbraw/zinc/24/60/61/621246061.db2.gz FOMXSUWVHDMRJC-BXUZGUMPSA-N 1 0 296.367 2.661 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903098133 621251745 /nfs/dbraw/zinc/25/17/45/621251745.db2.gz YIEYWWNOILFCSH-XHDPSFHLSA-N 1 0 296.367 2.805 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119840 621260937 /nfs/dbraw/zinc/26/09/37/621260937.db2.gz KNFMJSWRLIYCBM-BXUZGUMPSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903172322 621274331 /nfs/dbraw/zinc/27/43/31/621274331.db2.gz YAJVAGHZYLTLSZ-AAEUAGOBSA-N 1 0 296.367 2.519 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000903177949 621275631 /nfs/dbraw/zinc/27/56/31/621275631.db2.gz SMWCWMMWIXQDNE-IINYFYTJSA-N 1 0 296.367 2.804 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903170698 621279930 /nfs/dbraw/zinc/27/99/30/621279930.db2.gz ATHINVIRXWMQNO-GMTAPVOTSA-N 1 0 282.340 2.677 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903198791 621282949 /nfs/dbraw/zinc/28/29/49/621282949.db2.gz GISHQYRUKUSEKJ-WBIUFABUSA-N 1 0 294.351 2.822 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000903246362 621294561 /nfs/dbraw/zinc/29/45/61/621294561.db2.gz TYIDPKYRCRLSFG-QWRGUYRKSA-N 1 0 274.324 2.772 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000903246200 621297322 /nfs/dbraw/zinc/29/73/22/621297322.db2.gz SENRUZUMDRCUKF-NEPJUHHUSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903259958 621302311 /nfs/dbraw/zinc/30/23/11/621302311.db2.gz JEQJXNBOLYDNBG-UAKXVISKSA-N 1 0 294.326 2.952 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286844 621318595 /nfs/dbraw/zinc/31/85/95/621318595.db2.gz ICZMUSOUUHCTFD-XHBSWPGZSA-N 1 0 289.379 2.728 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287889 621319181 /nfs/dbraw/zinc/31/91/81/621319181.db2.gz SHOFKQDONCLQKJ-WZRBSPASSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000903438652 621375335 /nfs/dbraw/zinc/37/53/35/621375335.db2.gz WJNUTJPKQZKIAW-TUKIKUTGSA-N 1 0 290.363 2.979 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903439426 621375873 /nfs/dbraw/zinc/37/58/73/621375873.db2.gz DYMPHDLYCDFOJK-GAFUQQFSSA-N 1 0 294.326 2.810 20 5 CFBDRO Cc1c(CN2CCC[C@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903796685 621443615 /nfs/dbraw/zinc/44/36/15/621443615.db2.gz BMGOIGMNEXHGDJ-GOEBONIOSA-N 1 0 289.379 2.607 20 5 CFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000903843080 621454563 /nfs/dbraw/zinc/45/45/63/621454563.db2.gz BPBPECDHOVEGPC-NDMJEZRESA-N 1 0 295.770 2.560 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000905072121 621698044 /nfs/dbraw/zinc/69/80/44/621698044.db2.gz QYDGYZANADZGMT-UHFFFAOYSA-N 1 0 293.150 2.629 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000905113076 621702155 /nfs/dbraw/zinc/70/21/55/621702155.db2.gz CZDDMEUXPFDUPE-SNVBAGLBSA-N 1 0 275.135 2.847 20 5 CFBDRO Cc1c(CNCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000071377395 625509190 /nfs/dbraw/zinc/50/91/90/625509190.db2.gz UTFFZVLSVLZYAL-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000905289846 621738276 /nfs/dbraw/zinc/73/82/76/621738276.db2.gz KGLRBGWILRZSBC-QEJZJMRPSA-N 1 0 262.353 2.825 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000222763152 622967859 /nfs/dbraw/zinc/96/78/59/622967859.db2.gz RLYSBEVTQRCBDB-QJPTWQEYSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)(CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227953851 623123800 /nfs/dbraw/zinc/12/38/00/623123800.db2.gz ZTDJVMYSIBVPMG-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000228198232 623135740 /nfs/dbraw/zinc/13/57/40/623135740.db2.gz FAVYMOKPUVIOLV-OSAQELSMSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2=CCCC2)cc1 ZINC000228670952 623156058 /nfs/dbraw/zinc/15/60/58/623156058.db2.gz IWOVVPFOKLGPOZ-OAHLLOKOSA-N 1 0 276.336 2.718 20 5 CFBDRO CC(C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)[C@H](C)[NH3+] ZINC000823070100 623227885 /nfs/dbraw/zinc/22/78/85/623227885.db2.gz ZAARDMKSHKVVPX-OIBJUYFYSA-N 1 0 296.352 2.793 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061981211 623244156 /nfs/dbraw/zinc/24/41/56/623244156.db2.gz YIUXVYQVRFMLBO-SNVBAGLBSA-N 1 0 281.743 2.897 20 5 CFBDRO Cc1c(-c2noc(CCCCC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269721 623280666 /nfs/dbraw/zinc/28/06/66/623280666.db2.gz KIRIAJKILFFQIP-UHFFFAOYSA-N 1 0 290.323 2.625 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230544566 623281504 /nfs/dbraw/zinc/28/15/04/623281504.db2.gz WUZUAEDEEHEZFX-HNNXBMFYSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000172850573 623312574 /nfs/dbraw/zinc/31/25/74/623312574.db2.gz UPIXHYQWBYDWQR-FZMZJTMJSA-N 1 0 295.358 2.648 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCn2ccnc21 ZINC000824527982 623518591 /nfs/dbraw/zinc/51/85/91/623518591.db2.gz ZABFTIPQKNBTTC-RZXPCSSPSA-N 1 0 298.346 2.929 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCn2ccnc21 ZINC000824527980 623518968 /nfs/dbraw/zinc/51/89/68/623518968.db2.gz ZABFTIPQKNBTTC-HMVFGEFZSA-N 1 0 298.346 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCOCC2)cc1Cl ZINC000824596650 623530043 /nfs/dbraw/zinc/53/00/43/623530043.db2.gz JUHIGYXWJFHQCL-UHFFFAOYSA-N 1 0 282.727 2.685 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000914568401 623900335 /nfs/dbraw/zinc/90/03/35/623900335.db2.gz HHDAEMYZLDSEDM-NSHDSACASA-N 1 0 268.361 2.732 20 5 CFBDRO CC(=O)OC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153282949 623913487 /nfs/dbraw/zinc/91/34/87/623913487.db2.gz UGMZOMGSJXHZLV-NSHDSACASA-N 1 0 292.335 2.683 20 5 CFBDRO C[C@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000828901704 624325757 /nfs/dbraw/zinc/32/57/57/624325757.db2.gz ACDSEXNHFYMSQN-NSHDSACASA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000917432303 624343302 /nfs/dbraw/zinc/34/33/02/624343302.db2.gz CDQHHAKPTHGRBR-UPJWGTAASA-N 1 0 278.356 2.649 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000919371288 624564506 /nfs/dbraw/zinc/56/45/06/624564506.db2.gz DEQDZRNFRRKCMQ-NSHDSACASA-N 1 0 298.364 2.688 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831392190 625008306 /nfs/dbraw/zinc/00/83/06/625008306.db2.gz HLBXKCNMAWWGQA-OWYVNGRQSA-N 1 0 296.342 2.883 20 5 CFBDRO [NH3+]CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000070149886 625273716 /nfs/dbraw/zinc/27/37/16/625273716.db2.gz GCDFFUHCKJGXFX-LBPRGKRZSA-N 1 0 297.786 2.952 20 5 CFBDRO Cc1ccncc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834887534 625909805 /nfs/dbraw/zinc/90/98/05/625909805.db2.gz SKFQLHVNZHHFAF-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(C3CCC3)c2)cc1 ZINC000921562022 625989270 /nfs/dbraw/zinc/98/92/70/625989270.db2.gz GKVGSHPVPWZIGB-UHFFFAOYSA-N 1 0 286.335 2.806 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3c2OCC3)c1 ZINC000921940031 626181795 /nfs/dbraw/zinc/18/17/95/626181795.db2.gz JKCICAGUQURAEM-UHFFFAOYSA-N 1 0 298.342 2.862 20 5 CFBDRO COC[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000922949922 626431568 /nfs/dbraw/zinc/43/15/68/626431568.db2.gz XCJOTVQYBHMZFO-ZDUSSCGKSA-N 1 0 296.367 2.612 20 5 CFBDRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658371 626549718 /nfs/dbraw/zinc/54/97/18/626549718.db2.gz LXVGVHNZXCRIEU-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](C4CC4)C3)c2c1 ZINC000763334332 626980950 /nfs/dbraw/zinc/98/09/50/626980950.db2.gz VZAGVYZQQOEPHA-ZDUSSCGKSA-N 1 0 286.335 2.634 20 5 CFBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764878215 627104025 /nfs/dbraw/zinc/10/40/25/627104025.db2.gz RVEYIZHKAINZHU-UHFFFAOYSA-N 1 0 274.324 2.695 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636523 627152160 /nfs/dbraw/zinc/15/21/60/627152160.db2.gz QJYNRDNLKWNCPN-MNOVXSKESA-N 1 0 281.331 2.653 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000765644630 627152501 /nfs/dbraw/zinc/15/25/01/627152501.db2.gz YKLHNNGMLLHXKZ-CHWSQXEVSA-N 1 0 277.368 2.822 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(C(F)F)C1 ZINC000768679119 627363820 /nfs/dbraw/zinc/36/38/20/627363820.db2.gz SRWJOPFGYLKYBG-UHFFFAOYSA-N 1 0 256.252 2.728 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000771916785 627647200 /nfs/dbraw/zinc/64/72/00/627647200.db2.gz GRBXQJBPSQZKMW-SECBINFHSA-N 1 0 284.747 2.539 20 5 CFBDRO C[N@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636530 627943985 /nfs/dbraw/zinc/94/39/85/627943985.db2.gz VFSRUEKKSKCJCF-UHFFFAOYSA-N 1 0 294.742 2.897 20 5 CFBDRO CC(C)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589401 628161969 /nfs/dbraw/zinc/16/19/69/628161969.db2.gz RZBNFWANNZTKRH-MRXNPFEDSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590122 628162386 /nfs/dbraw/zinc/16/23/86/628162386.db2.gz YJIDZABNYRCGRK-NJZAAPMLSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCSC2)cc1Cl ZINC000783638555 628729165 /nfs/dbraw/zinc/72/91/65/628729165.db2.gz QNZBRAGPTGMCKF-VIFPVBQESA-N 1 0 272.757 2.843 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595044 629085146 /nfs/dbraw/zinc/08/51/46/629085146.db2.gz ZGENMPYAYKFZMB-PGUXBMHVSA-N 1 0 295.383 2.625 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000788673679 629091047 /nfs/dbraw/zinc/09/10/47/629091047.db2.gz XCNYIAPMDIRCIW-XEGUGMAKSA-N 1 0 293.367 2.785 20 5 CFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000790757070 629260526 /nfs/dbraw/zinc/26/05/26/629260526.db2.gz BGDGDNCDRPCBOV-RTXFEEFZSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000791051660 629284111 /nfs/dbraw/zinc/28/41/11/629284111.db2.gz HTPONUBMTCULBL-KRWDZBQOSA-N 1 0 282.343 2.911 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000791051662 629284265 /nfs/dbraw/zinc/28/42/65/629284265.db2.gz HTPONUBMTCULBL-QGZVFWFLSA-N 1 0 282.343 2.911 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000792928487 629467791 /nfs/dbraw/zinc/46/77/91/629467791.db2.gz UGWPPKJGDMIYNQ-CQSZACIVSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793524591 629562224 /nfs/dbraw/zinc/56/22/24/629562224.db2.gz ICGPLUICPLUROG-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000793558318 629571603 /nfs/dbraw/zinc/57/16/03/629571603.db2.gz ROIFMWFQMGDYCU-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000110717510 634786305 /nfs/dbraw/zinc/78/63/05/634786305.db2.gz LGQPHLSLYMAWGT-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526830 630077455 /nfs/dbraw/zinc/07/74/55/630077455.db2.gz YMBDUPVMBUPQCF-NHYWBVRUSA-N 1 0 276.336 2.526 20 5 CFBDRO CC[NH+](CC)CCSc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804518910 630689266 /nfs/dbraw/zinc/68/92/66/630689266.db2.gz IZZSNYLVHSLNMK-UHFFFAOYSA-N 1 0 299.352 2.937 20 5 CFBDRO Cc1cc(-c2nc([C@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000041123749 649989151 /nfs/dbraw/zinc/98/91/51/649989151.db2.gz KXWRSESFHNKFLV-LLVKDONJSA-N 1 0 276.296 2.609 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807940292 630924303 /nfs/dbraw/zinc/92/43/03/630924303.db2.gz UONKGMVDFAAJGO-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO COC1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000840792378 631225236 /nfs/dbraw/zinc/22/52/36/631225236.db2.gz KCCUNPUQZOGSLF-QFWMXSHPSA-N 1 0 293.367 2.785 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840834943 631235150 /nfs/dbraw/zinc/23/51/50/631235150.db2.gz CHGKRIXIIADVKG-WDEREUQCSA-N 1 0 281.356 2.500 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840834942 631235451 /nfs/dbraw/zinc/23/54/51/631235451.db2.gz CHGKRIXIIADVKG-QWRGUYRKSA-N 1 0 281.356 2.500 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840859072 631243509 /nfs/dbraw/zinc/24/35/09/631243509.db2.gz GXGIDLDRGSCRCU-YWVKMMECSA-N 1 0 281.381 2.722 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000809692780 631265193 /nfs/dbraw/zinc/26/51/93/631265193.db2.gz GUZZHXHQEFJAAM-LLVKDONJSA-N 1 0 284.743 2.859 20 5 CFBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000809728466 631272890 /nfs/dbraw/zinc/27/28/90/631272890.db2.gz YXTRDOYJGNOVKJ-UHFFFAOYSA-N 1 0 289.335 2.770 20 5 CFBDRO [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028044 631308940 /nfs/dbraw/zinc/30/89/40/631308940.db2.gz JZQXQYXLNKHPMP-YPMHNXCESA-N 1 0 297.786 2.855 20 5 CFBDRO CN1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841746600 631463052 /nfs/dbraw/zinc/46/30/52/631463052.db2.gz IZRFBZFWFVWQHD-CJNGLKHVSA-N 1 0 289.379 2.656 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000841756344 631467167 /nfs/dbraw/zinc/46/71/67/631467167.db2.gz VEKFDNOLSNOSAI-AAEUAGOBSA-N 1 0 295.383 2.889 20 5 CFBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000841890241 631489415 /nfs/dbraw/zinc/48/94/15/631489415.db2.gz LSZDSRHZRJDASK-MXWKQRLJSA-N 1 0 293.323 2.979 20 5 CFBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811515774 631575690 /nfs/dbraw/zinc/57/56/90/631575690.db2.gz HLCIMACOHBCKSA-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842915418 631781579 /nfs/dbraw/zinc/78/15/79/631781579.db2.gz GRMAJONDFGWCIH-GVXVVHGQSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843044223 631811878 /nfs/dbraw/zinc/81/18/78/631811878.db2.gz ALUNQDXJXMSSHJ-YGRLFVJLSA-N 1 0 297.786 2.950 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843051230 631815560 /nfs/dbraw/zinc/81/55/60/631815560.db2.gz GAJRRHIZYYGWDK-QWRGUYRKSA-N 1 0 297.786 2.807 20 5 CFBDRO CC(C)[C@H]([NH3+])c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000843146953 631859916 /nfs/dbraw/zinc/85/99/16/631859916.db2.gz VPNCJCSMHDMMOD-UJZCVKTISA-N 1 0 288.307 2.804 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CO1 ZINC000843431725 631957398 /nfs/dbraw/zinc/95/73/98/631957398.db2.gz CECMLFJHYMHHBH-WCBMZHEXSA-N 1 0 270.716 2.515 20 5 CFBDRO C[NH+](C)CC(C)(C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000840319783 632061602 /nfs/dbraw/zinc/06/16/02/632061602.db2.gz OVNWRXUEJJNLMZ-UHFFFAOYSA-N 1 0 294.380 2.957 20 5 CFBDRO CC[N@H+](CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815573795 632289997 /nfs/dbraw/zinc/28/99/97/632289997.db2.gz ULOLDADFSKBFRD-GFCCVEGCSA-N 1 0 294.399 2.558 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585290 632292129 /nfs/dbraw/zinc/29/21/29/632292129.db2.gz CSLSZYQJOABYNA-GXSJLCMTSA-N 1 0 281.381 2.723 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585291 632292541 /nfs/dbraw/zinc/29/25/41/632292541.db2.gz CSLSZYQJOABYNA-KOLCDFICSA-N 1 0 281.381 2.723 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815587888 632292978 /nfs/dbraw/zinc/29/29/78/632292978.db2.gz WTRHKUWHUKMJAI-BIGNPOOSSA-N 1 0 293.367 2.641 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000845558182 632463985 /nfs/dbraw/zinc/46/39/85/632463985.db2.gz VOVBGLJNWVMQJO-OQPBUACISA-N 1 0 299.733 2.528 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816660594 632506299 /nfs/dbraw/zinc/50/62/99/632506299.db2.gz JPOFEVVVBXAJSE-GFCCVEGCSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000845669319 632513466 /nfs/dbraw/zinc/51/34/66/632513466.db2.gz SAEOGCPXMQFKED-LBPRGKRZSA-N 1 0 292.335 2.544 20 5 CFBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412870 632624783 /nfs/dbraw/zinc/62/47/83/632624783.db2.gz PWRVJLLBINFVEL-PWSUYJOCSA-N 1 0 298.770 2.699 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCC[N@@H+]1C ZINC000817417892 632627272 /nfs/dbraw/zinc/62/72/72/632627272.db2.gz VXVAHZZNXHHQSE-GFCCVEGCSA-N 1 0 297.786 2.774 20 5 CFBDRO CCOC(C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000846969789 632863211 /nfs/dbraw/zinc/86/32/11/632863211.db2.gz NTVCSXFKZHTXBR-UHFFFAOYSA-N 1 0 296.367 2.816 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cccs2)c1 ZINC000818942612 632911506 /nfs/dbraw/zinc/91/15/06/632911506.db2.gz MGJXLXLITDCATJ-AWEZNQCLSA-N 1 0 292.360 2.522 20 5 CFBDRO CC(C)(C)SCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819010107 632929545 /nfs/dbraw/zinc/92/95/45/632929545.db2.gz ZIUUQEARCBDOHN-ZDUSSCGKSA-N 1 0 298.408 2.750 20 5 CFBDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819282993 633054249 /nfs/dbraw/zinc/05/42/49/633054249.db2.gz BTSMZNWLBDZNDL-ZLDLUXBVSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000819360063 633108665 /nfs/dbraw/zinc/10/86/65/633108665.db2.gz ZBQWZQASXHCMOF-HZPDHXFCSA-N 1 0 290.363 2.797 20 5 CFBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819364469 633133065 /nfs/dbraw/zinc/13/30/65/633133065.db2.gz XIWHDRMSEAPKSP-YUELXQCFSA-N 1 0 278.352 2.652 20 5 CFBDRO Cc1c(CNC(=[NH2+])N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000849021775 633465160 /nfs/dbraw/zinc/46/51/60/633465160.db2.gz HICADUYVQRQTNQ-LLVKDONJSA-N 1 0 290.367 2.659 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368252 633958201 /nfs/dbraw/zinc/95/82/01/633958201.db2.gz APBLGGXPGCCUIB-CVEARBPZSA-N 1 0 284.315 2.863 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000850461706 634003323 /nfs/dbraw/zinc/00/33/23/634003323.db2.gz JXFQGNXHSKCQPV-WCQYABFASA-N 1 0 292.335 2.947 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C=CCC1 ZINC000850511258 634025350 /nfs/dbraw/zinc/02/53/50/634025350.db2.gz AOLLLBSZMFAUSJ-RYUDHWBXSA-N 1 0 289.335 2.620 20 5 CFBDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850557100 634052340 /nfs/dbraw/zinc/05/23/40/634052340.db2.gz LARFRCBLZZRSME-SNVBAGLBSA-N 1 0 261.325 2.938 20 5 CFBDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850557098 634052865 /nfs/dbraw/zinc/05/28/65/634052865.db2.gz LARFRCBLZZRSME-JTQLQIEISA-N 1 0 261.325 2.938 20 5 CFBDRO CC(C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[NH3+] ZINC000109504619 634069912 /nfs/dbraw/zinc/06/99/12/634069912.db2.gz KBUAPIVXPKGCKF-JOYOIKCWSA-N 1 0 290.323 2.732 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000852771890 634830669 /nfs/dbraw/zinc/83/06/69/634830669.db2.gz JHZNWGQRALGUKX-JSGCOSHPSA-N 1 0 278.352 2.606 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC000852771893 634830848 /nfs/dbraw/zinc/83/08/48/634830848.db2.gz JHZNWGQRALGUKX-TZMCWYRMSA-N 1 0 278.352 2.606 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000852772940 634831729 /nfs/dbraw/zinc/83/17/29/634831729.db2.gz SUMAUWRUJXBSKN-LLVKDONJSA-N 1 0 293.323 2.981 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2)cc1 ZINC000853575226 635038755 /nfs/dbraw/zinc/03/87/55/635038755.db2.gz CCINFBMZRQEAPM-ZIAGYGMSSA-N 1 0 298.346 2.758 20 5 CFBDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000856805254 635865222 /nfs/dbraw/zinc/86/52/22/635865222.db2.gz LTLVHLGUCWOOQL-LBPRGKRZSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512237 636017883 /nfs/dbraw/zinc/01/78/83/636017883.db2.gz MHAHSKNSWUTBFS-TZMCWYRMSA-N 1 0 286.335 2.627 20 5 CFBDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000858475051 636262870 /nfs/dbraw/zinc/26/28/70/636262870.db2.gz GJNSHUQHYGMCRH-MFKMUULPSA-N 1 0 290.319 2.507 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858781227 636345593 /nfs/dbraw/zinc/34/55/93/636345593.db2.gz QSZIUEJWSMZDFS-ZDUSSCGKSA-N 1 0 290.367 2.606 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccns1 ZINC000860053079 636770695 /nfs/dbraw/zinc/77/06/95/636770695.db2.gz PISCVZLRUORFLT-SNVBAGLBSA-N 1 0 293.348 2.781 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000049084346 650287691 /nfs/dbraw/zinc/28/76/91/650287691.db2.gz JUPKFDQVNZEANA-UKRRQHHQSA-N 1 0 277.368 2.730 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1COC1 ZINC000862531409 637410627 /nfs/dbraw/zinc/41/06/27/637410627.db2.gz GKYAONDDFBSVTE-UHFFFAOYSA-N 1 0 291.134 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863482383 637674499 /nfs/dbraw/zinc/67/44/99/637674499.db2.gz GZFWCPNAGHLPGT-CYBMUJFWSA-N 1 0 295.770 2.622 20 5 CFBDRO C[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]2C1 ZINC000863581685 637700955 /nfs/dbraw/zinc/70/09/55/637700955.db2.gz FHNUBDQNEXDFGN-LQKXBSAESA-N 1 0 290.363 2.654 20 5 CFBDRO CSCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000076772361 650403707 /nfs/dbraw/zinc/40/37/07/650403707.db2.gz WLQUBIGCBCNSOA-JTQLQIEISA-N 1 0 254.355 2.826 20 5 CFBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000865700245 638524580 /nfs/dbraw/zinc/52/45/80/638524580.db2.gz ZCTWVUPUJHEVOL-ZIAGYGMSSA-N 1 0 296.342 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)cc1 ZINC000865778591 638568202 /nfs/dbraw/zinc/56/82/02/638568202.db2.gz LRJAINKWBNISCK-CQSZACIVSA-N 1 0 290.363 2.891 20 5 CFBDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000865806575 638583726 /nfs/dbraw/zinc/58/37/26/638583726.db2.gz KSZUWZULKARHIP-QGZVFWFLSA-N 1 0 297.358 2.871 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)C[C@H](C)O ZINC000865873239 638632174 /nfs/dbraw/zinc/63/21/74/638632174.db2.gz UMGJSSCOXWUJQJ-AAEUAGOBSA-N 1 0 296.367 2.633 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866058509 638717819 /nfs/dbraw/zinc/71/78/19/638717819.db2.gz AIZYDWLDZWSJLV-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000866239702 638777592 /nfs/dbraw/zinc/77/75/92/638777592.db2.gz WZXGOADUNCQDDE-RYUDHWBXSA-N 1 0 296.342 2.681 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866276286 638787123 /nfs/dbraw/zinc/78/71/23/638787123.db2.gz MVGMRIQOMMLIOZ-NHYWBVRUSA-N 1 0 298.358 2.926 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364853 638804986 /nfs/dbraw/zinc/80/49/86/638804986.db2.gz DFWNANNYORFVRP-VXGBXAGGSA-N 1 0 298.358 2.663 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000866541325 638839073 /nfs/dbraw/zinc/83/90/73/638839073.db2.gz YKVGVZWEWSOCIA-CYBMUJFWSA-N 1 0 286.335 2.794 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000866541339 638839431 /nfs/dbraw/zinc/83/94/31/638839431.db2.gz YQHIEMCWOOOUTR-DOMZBBRYSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866582121 638848426 /nfs/dbraw/zinc/84/84/26/638848426.db2.gz DLKMRKMGMGNEOP-IVMMDQJWSA-N 1 0 289.379 2.682 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026108 641558454 /nfs/dbraw/zinc/55/84/54/641558454.db2.gz AXZLKRISFJOMNA-NXEZZACHSA-N 1 0 270.304 2.667 20 5 CFBDRO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040611 641574871 /nfs/dbraw/zinc/57/48/71/641574871.db2.gz ZISPHGRDWJTZKP-NEPJUHHUSA-N 1 0 295.358 2.869 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053498 641588261 /nfs/dbraw/zinc/58/82/61/641588261.db2.gz KQUFVMBVHKJLBV-GMTAPVOTSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872061853 641592836 /nfs/dbraw/zinc/59/28/36/641592836.db2.gz ALFVRHHRRXWFPF-IRUJWGPZSA-N 1 0 282.315 2.688 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064577 641596666 /nfs/dbraw/zinc/59/66/66/641596666.db2.gz IDGVODVPUTWFAQ-DCAQKATOSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H](NCC1([NH+](C)C)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065239 641597593 /nfs/dbraw/zinc/59/75/93/641597593.db2.gz WEXXOQRLSLSFLV-NSHDSACASA-N 1 0 295.358 2.869 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872076961 641609478 /nfs/dbraw/zinc/60/94/78/641609478.db2.gz WMWPHXREBNTZJK-UHIISALHSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872082030 641615213 /nfs/dbraw/zinc/61/52/13/641615213.db2.gz NRMIWGLJMDKTNG-LDYMZIIASA-N 1 0 250.273 2.937 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086815 641620510 /nfs/dbraw/zinc/62/05/10/641620510.db2.gz ZRKLIINZDFEZFQ-ZJUUUORDSA-N 1 0 282.315 2.546 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)CCCC2 ZINC000872126261 641654637 /nfs/dbraw/zinc/65/46/37/641654637.db2.gz KCURMLUTKXNHIW-PJODQICGSA-N 1 0 290.363 2.723 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000872127758 641655864 /nfs/dbraw/zinc/65/58/64/641655864.db2.gz XOKBYOSRWVBLQN-IXPVHAAZSA-N 1 0 290.363 2.678 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129604 641657930 /nfs/dbraw/zinc/65/79/30/641657930.db2.gz RSCSXPASFBMBSI-ZOWXZIJZSA-N 1 0 289.379 2.728 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872313784 641752546 /nfs/dbraw/zinc/75/25/46/641752546.db2.gz ZIMIPUVHTPHELZ-KGLIPLIRSA-N 1 0 280.299 2.535 20 5 CFBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2C)CCCCC1 ZINC000872629640 641881382 /nfs/dbraw/zinc/88/13/82/641881382.db2.gz MBQNJPJGKRXLNK-UHFFFAOYSA-N 1 0 278.356 2.632 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000872779861 641933813 /nfs/dbraw/zinc/93/38/13/641933813.db2.gz JBJRFNCKFHMDGX-QWHCGFSZSA-N 1 0 275.352 2.576 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781036 641934633 /nfs/dbraw/zinc/93/46/33/641934633.db2.gz PCZGTEPTKVKIGD-ZIAGYGMSSA-N 1 0 295.770 2.921 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780725 641935259 /nfs/dbraw/zinc/93/52/59/641935259.db2.gz MTYCVWKWAVLUJW-VXGBXAGGSA-N 1 0 295.770 2.921 20 5 CFBDRO CCOCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873006217 641982622 /nfs/dbraw/zinc/98/26/22/641982622.db2.gz BPKNKVVVYYNCGE-UHFFFAOYSA-N 1 0 266.341 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)Cn1cccn1 ZINC000873012206 641984554 /nfs/dbraw/zinc/98/45/54/641984554.db2.gz DGEQTVXZWHWXKZ-LBPRGKRZSA-N 1 0 288.351 2.586 20 5 CFBDRO COC[C@@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873024337 641988082 /nfs/dbraw/zinc/98/80/82/641988082.db2.gz OQWTXSGFGASKEW-JTQLQIEISA-N 1 0 266.341 2.584 20 5 CFBDRO CC[C@@H](O)CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873061505 641999869 /nfs/dbraw/zinc/99/98/69/641999869.db2.gz SFJHQIIXOPQNCL-CYBMUJFWSA-N 1 0 280.368 2.852 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873065348 642000404 /nfs/dbraw/zinc/00/04/04/642000404.db2.gz CHCVNPXHMSFZNA-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CCCCO ZINC000873131073 642021959 /nfs/dbraw/zinc/02/19/59/642021959.db2.gz KTFMYEXLOBJHNP-GFCCVEGCSA-N 1 0 280.368 2.852 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873130557 642022002 /nfs/dbraw/zinc/02/20/02/642022002.db2.gz HRJFGLJKCJNFAV-BETUJISGSA-N 1 0 278.352 2.869 20 5 CFBDRO COCC[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873130502 642022222 /nfs/dbraw/zinc/02/22/22/642022222.db2.gz FVOKXVAOSZSDPQ-NSHDSACASA-N 1 0 280.368 2.974 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000873132031 642022865 /nfs/dbraw/zinc/02/28/65/642022865.db2.gz DLRHNRPJUCUSOE-KGLIPLIRSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000873149911 642031515 /nfs/dbraw/zinc/03/15/15/642031515.db2.gz GPTUDGVWDFVAKN-UKRRQHHQSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000873149320 642031739 /nfs/dbraw/zinc/03/17/39/642031739.db2.gz CFHAIQRXCBYKLI-SCDSUCTJSA-N 1 0 278.352 2.867 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC000873156654 642039800 /nfs/dbraw/zinc/03/98/00/642039800.db2.gz YCTHJIGYEBUERL-GFCCVEGCSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1ccc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873251999 642097479 /nfs/dbraw/zinc/09/74/79/642097479.db2.gz MYMNZABEUBPMLZ-OCCSQVGLSA-N 1 0 277.368 2.523 20 5 CFBDRO Cc1ccc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873251996 642098098 /nfs/dbraw/zinc/09/80/98/642098098.db2.gz MYMNZABEUBPMLZ-GXTWGEPZSA-N 1 0 277.368 2.523 20 5 CFBDRO C[N@@H+]1CCC[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440129 650774493 /nfs/dbraw/zinc/77/44/93/650774493.db2.gz WCSACERVBMDPKQ-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000876730607 642986175 /nfs/dbraw/zinc/98/61/75/642986175.db2.gz HYCGZAHRHDIYPL-AWEZNQCLSA-N 1 0 291.395 2.595 20 5 CFBDRO CC[C@@](C)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876738848 642987903 /nfs/dbraw/zinc/98/79/03/642987903.db2.gz CNCPBJSRWRLZAQ-HNNXBMFYSA-N 1 0 278.352 2.768 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876891209 643053945 /nfs/dbraw/zinc/05/39/45/643053945.db2.gz SMGJTGLZLNHWFI-UHFFFAOYSA-N 1 0 286.335 2.593 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H]1C ZINC000876894876 643055978 /nfs/dbraw/zinc/05/59/78/643055978.db2.gz STGLYNOODGJAKQ-UJZIZYCTSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876916338 643063015 /nfs/dbraw/zinc/06/30/15/643063015.db2.gz RCJZZEWWSGEQSV-OKZRHMCRSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876916340 643063266 /nfs/dbraw/zinc/06/32/66/643063266.db2.gz RCJZZEWWSGEQSV-ZFDZMSFRSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964541 643084850 /nfs/dbraw/zinc/08/48/50/643084850.db2.gz ITKNMQMVOGVHDW-IWMBGFJWSA-N 1 0 292.383 2.911 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000877020196 643106026 /nfs/dbraw/zinc/10/60/26/643106026.db2.gz ZFOHZTJCIKSRHS-SNVBAGLBSA-N 1 0 289.162 2.921 20 5 CFBDRO CC1(C)CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877555320 643356694 /nfs/dbraw/zinc/35/66/94/643356694.db2.gz SSICHJWYBJEYSC-HIFPTAJRSA-N 1 0 292.383 2.911 20 5 CFBDRO C[C@H]([NH2+]CCC[C@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000877557383 643358363 /nfs/dbraw/zinc/35/83/63/643358363.db2.gz LJFKJGFBFSDYTB-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC2(C1)CCOCC2 ZINC000877581268 643377818 /nfs/dbraw/zinc/37/78/18/643377818.db2.gz TTWKKCBAHGLAPE-UHFFFAOYSA-N 1 0 290.363 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000877628024 643412225 /nfs/dbraw/zinc/41/22/25/643412225.db2.gz ADFAPDILNOCIQK-IAGOWNOFSA-N 1 0 298.342 2.905 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000877629117 643413852 /nfs/dbraw/zinc/41/38/52/643413852.db2.gz QMFZJQFFABTCST-VXGBXAGGSA-N 1 0 292.379 2.660 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000877646455 643429444 /nfs/dbraw/zinc/42/94/44/643429444.db2.gz IKRYXANRDRJMQS-FZMZJTMJSA-N 1 0 292.379 2.662 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000877795909 643562183 /nfs/dbraw/zinc/56/21/83/643562183.db2.gz ZTOLJJZVBJRQQD-CQSZACIVSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000877795908 643563113 /nfs/dbraw/zinc/56/31/13/643563113.db2.gz ZTOLJJZVBJRQQD-AWEZNQCLSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877837133 643604635 /nfs/dbraw/zinc/60/46/35/643604635.db2.gz SHWULGWBVPTRFP-CYBMUJFWSA-N 1 0 292.379 2.804 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563538 644321845 /nfs/dbraw/zinc/32/18/45/644321845.db2.gz CIQNNRBYRSOIBZ-NEPJUHHUSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000880091994 644528653 /nfs/dbraw/zinc/52/86/53/644528653.db2.gz POUAPMZCSFBTMP-SRVKXCTJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880144925 644552865 /nfs/dbraw/zinc/55/28/65/644552865.db2.gz FZSWFVXFBZTLOO-RYUDHWBXSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880299299 644639362 /nfs/dbraw/zinc/63/93/62/644639362.db2.gz FPNYCJXVAJNKBF-SECBINFHSA-N 1 0 256.252 2.525 20 5 CFBDRO C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633621 650943793 /nfs/dbraw/zinc/94/37/93/650943793.db2.gz WGPKTLXYCYILCO-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000880470502 644725553 /nfs/dbraw/zinc/72/55/53/644725553.db2.gz KPYXAMSQIJYQCL-UHFFFAOYSA-N 1 0 289.379 2.655 20 5 CFBDRO CC(=O)c1c(NCC(C)(C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881756573 645123252 /nfs/dbraw/zinc/12/32/52/645123252.db2.gz XYKMWBUORHUYQC-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881774684 645125185 /nfs/dbraw/zinc/12/51/85/645125185.db2.gz ZYTSZSDOWWUPSS-LLVKDONJSA-N 1 0 296.346 2.805 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881786741 645127680 /nfs/dbraw/zinc/12/76/80/645127680.db2.gz MHKKZKHZWOEYMI-UHFFFAOYSA-N 1 0 296.346 2.661 20 5 CFBDRO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000881807913 645131304 /nfs/dbraw/zinc/13/13/04/645131304.db2.gz GZADYSQGFLEEDY-GHMZBOCLSA-N 1 0 296.346 2.661 20 5 CFBDRO CCC[NH+]1CCC(CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881873953 645145515 /nfs/dbraw/zinc/14/55/15/645145515.db2.gz RCXUTPUAPMRNOT-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CC(=O)c1c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016737 645177096 /nfs/dbraw/zinc/17/70/96/645177096.db2.gz AMYSMECTDMMHMV-ZYHUDNBSSA-N 1 0 291.351 2.692 20 5 CFBDRO CC[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251797721 650994754 /nfs/dbraw/zinc/99/47/54/650994754.db2.gz NXRRRTJRWGAHIY-GXFFZTMASA-N 1 0 297.786 2.807 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000251841962 650995988 /nfs/dbraw/zinc/99/59/88/650995988.db2.gz QXBCFDONOOYGSB-DZGCQCFKSA-N 1 0 278.352 2.893 20 5 CFBDRO CC(=O)c1c(NCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882598973 645379732 /nfs/dbraw/zinc/37/97/32/645379732.db2.gz OBKUZRVXSJFYON-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO C[NH+](C)C1(C)CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882693687 645412743 /nfs/dbraw/zinc/41/27/43/645412743.db2.gz VVDFSJFCSNCJPZ-UHFFFAOYSA-N 1 0 296.346 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(COC3)CC2)c(F)c1 ZINC000883389345 645787596 /nfs/dbraw/zinc/78/75/96/645787596.db2.gz OTGTZMRSKPKXCS-UHFFFAOYSA-N 1 0 294.326 2.783 20 5 CFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000800081674 646128209 /nfs/dbraw/zinc/12/82/09/646128209.db2.gz AXGDQJJIRAQSOF-UHFFFAOYSA-N 1 0 298.364 2.689 20 5 CFBDRO Cc1ccc(NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000884044504 646146525 /nfs/dbraw/zinc/14/65/25/646146525.db2.gz KYPBYAAGXMKOBI-CYBMUJFWSA-N 1 0 293.367 2.851 20 5 CFBDRO CCC(CC)[N@H+](CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000885983871 646795498 /nfs/dbraw/zinc/79/54/98/646795498.db2.gz SBJJDAHSKBVARZ-UHFFFAOYSA-N 1 0 281.356 2.627 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000885983422 646795676 /nfs/dbraw/zinc/79/56/76/646795676.db2.gz GBPYOYAFQHKYRA-ZDUSSCGKSA-N 1 0 261.325 2.754 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000886201872 646917730 /nfs/dbraw/zinc/91/77/30/646917730.db2.gz UNASSRXQLHOFHT-WFASDCNBSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000886285574 646953083 /nfs/dbraw/zinc/95/30/83/646953083.db2.gz MORAOYJFBYQGCV-AWEZNQCLSA-N 1 0 290.363 2.952 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886676990 647105657 /nfs/dbraw/zinc/10/56/57/647105657.db2.gz PLDXLDVFMHFJTA-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818617 647151554 /nfs/dbraw/zinc/15/15/54/647151554.db2.gz HLKFLFXGNRDCAA-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886832285 647155535 /nfs/dbraw/zinc/15/55/35/647155535.db2.gz FOMZYJUCOQBLIP-IAQYHMDHSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(C3CC3)CCC2)c1 ZINC000887144962 647230929 /nfs/dbraw/zinc/23/09/29/647230929.db2.gz HUWRSPSEVGGWJQ-UHFFFAOYSA-N 1 0 276.336 2.896 20 5 CFBDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930449008 647892932 /nfs/dbraw/zinc/89/29/32/647892932.db2.gz KRRIBPUVKOOHAY-TZMCWYRMSA-N 1 0 278.352 2.745 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468081 648177357 /nfs/dbraw/zinc/17/73/57/648177357.db2.gz YPIWZZFKMFLGPJ-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000925642263 648256843 /nfs/dbraw/zinc/25/68/43/648256843.db2.gz RZWHJYCHQWOCDO-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1c(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000926269286 648452311 /nfs/dbraw/zinc/45/23/11/648452311.db2.gz LQLIMBNOVHTGHZ-WJFWJRBTSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1c(C[NH2+]C2[C@H](C)COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000926268842 648452717 /nfs/dbraw/zinc/45/27/17/648452717.db2.gz IUULXTIQZTZFTJ-GHMZBOCLSA-N 1 0 278.352 2.664 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000927028817 648687870 /nfs/dbraw/zinc/68/78/70/648687870.db2.gz RGMFYTAPRWAXQF-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO COc1ccc(OC)c(CN(CC[N+](=O)[O-])C(C)(C)C)c1 ZINC000929834531 649134889 /nfs/dbraw/zinc/13/48/89/649134889.db2.gz NYDQHRGHJMMBJN-UHFFFAOYSA-N 1 0 296.367 2.581 20 5 CFBDRO O=[N+]([O-])CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000930013886 649166445 /nfs/dbraw/zinc/16/64/45/649166445.db2.gz KCYIZYYWZBRQND-UHFFFAOYSA-N 1 0 272.304 2.581 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)nn1 ZINC000930208998 649207114 /nfs/dbraw/zinc/20/71/14/649207114.db2.gz ZMYDIIOONPSQDC-LLVKDONJSA-N 1 0 286.335 2.852 20 5 CFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931043688 649370177 /nfs/dbraw/zinc/37/01/77/649370177.db2.gz UBZICSWVBJWQJW-GWCFXTLKSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000931043929 649370699 /nfs/dbraw/zinc/37/06/99/649370699.db2.gz RRTHTBYWTHPHRO-IINYFYTJSA-N 1 0 297.786 2.773 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000931349074 649413046 /nfs/dbraw/zinc/41/30/46/649413046.db2.gz RCOURPUCJKZILT-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724779 649480330 /nfs/dbraw/zinc/48/03/30/649480330.db2.gz MTIQTQWPOUCPFH-MCIONIFRSA-N 1 0 289.379 2.824 20 5 CFBDRO CCO[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932979752 649666679 /nfs/dbraw/zinc/66/66/79/649666679.db2.gz QQLVIBWBDQLGCP-FZMZJTMJSA-N 1 0 264.325 2.767 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1F ZINC000933375131 649690154 /nfs/dbraw/zinc/69/01/54/649690154.db2.gz GFZOZUIAGZDZJU-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123363 649752713 /nfs/dbraw/zinc/75/27/13/649752713.db2.gz AFXYKSOAWHOEIZ-DDTOSNHZSA-N 1 0 264.325 2.765 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934383623 649781919 /nfs/dbraw/zinc/78/19/19/649781919.db2.gz OFLWRUUDIBSTLZ-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000934622588 649806123 /nfs/dbraw/zinc/80/61/23/649806123.db2.gz UUIPANKEFWFHIE-ZWNOBZJWSA-N 1 0 291.307 2.947 20 5 CFBDRO CSCC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000934675954 649814466 /nfs/dbraw/zinc/81/44/66/649814466.db2.gz WLBDMMLPVFMDAL-UHFFFAOYSA-N 1 0 284.381 2.705 20 5 CFBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001165052555 722000457 /nfs/dbraw/zinc/00/04/57/722000457.db2.gz UMDHMLWLZZICEV-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO Cc1cccc(OC[C@@H](C)OCCC[N+](C)(C)C)c1 ZINC001224624438 778605318 /nfs/dbraw/zinc/60/53/18/778605318.db2.gz WERWYRMWSIWVTR-OAHLLOKOSA-N 1 0 266.405 2.875 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001167284636 770213278 /nfs/dbraw/zinc/21/32/78/770213278.db2.gz JBVBQBFESMSAGF-LBPRGKRZSA-N 1 0 271.320 2.864 20 5 CFBDRO Nc1[nH+]c2ccccc2n1-c1ccc(F)cc1[N+](=O)[O-] ZINC001210950496 770403652 /nfs/dbraw/zinc/40/36/52/770403652.db2.gz WZSCAHQRSABZII-UHFFFAOYSA-N 1 0 272.239 2.655 20 5 CFBDRO COc1ccc(CC[N@H+](CC[N+](=O)[O-])CC(C)(C)C)cc1 ZINC001167406461 770432681 /nfs/dbraw/zinc/43/26/81/770432681.db2.gz QLPNWFLZXPFHDO-UHFFFAOYSA-N 1 0 294.395 2.863 20 5 CFBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000723949044 770717583 /nfs/dbraw/zinc/71/75/83/770717583.db2.gz DFXGZJBOALXVRO-VXGBXAGGSA-N 1 0 284.381 2.951 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000723986233 770734322 /nfs/dbraw/zinc/73/43/22/770734322.db2.gz AQPLRPOXJZSZER-UKRRQHHQSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000723991037 770735531 /nfs/dbraw/zinc/73/55/31/770735531.db2.gz YSZINPNPFSIQGX-KGLIPLIRSA-N 1 0 278.352 2.890 20 5 CFBDRO C[NH+](C)CC[C@H](O[C@@H](C[N+](=O)[O-])C1CC1)c1ccccc1 ZINC001224133290 775107775 /nfs/dbraw/zinc/10/77/75/775107775.db2.gz KRVCUTGZTZCHTA-HOTGVXAUSA-N 1 0 292.379 2.751 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333906 775161207 /nfs/dbraw/zinc/16/12/07/775161207.db2.gz NZAKKHXZZWPHNS-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO Cc1ccccc1OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224624050 775229512 /nfs/dbraw/zinc/22/95/12/775229512.db2.gz UDPZVWRPXOZXFL-OAHLLOKOSA-N 1 0 266.405 2.875 20 5 CFBDRO C[C@@H](OCC[N+](C)(C)C)c1cccc(Br)n1 ZINC001224771280 775270063 /nfs/dbraw/zinc/27/00/63/775270063.db2.gz IHLFGWOLYXIPCH-SNVBAGLBSA-N 1 0 288.209 2.628 20 5 CFBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)c1ccccn1 ZINC001224776253 775271475 /nfs/dbraw/zinc/27/14/75/775271475.db2.gz TZNXYOYJZDYKNH-KRWDZBQOSA-N 1 0 271.384 2.894 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC001225382716 775437184 /nfs/dbraw/zinc/43/71/84/775437184.db2.gz QMPQOWPGTYKFQK-IAZYJMLFSA-N 1 0 280.299 2.738 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(Cl)nccc1[N+](=O)[O-])C2 ZINC001225431299 775454104 /nfs/dbraw/zinc/45/41/04/775454104.db2.gz OEOJOVCPDYXQJN-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[NH2+][C@H](C)C1 ZINC001218062527 775465842 /nfs/dbraw/zinc/46/58/42/775465842.db2.gz VDBFPIQRLFIPPI-SKDRFNHKSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225793758 775594687 /nfs/dbraw/zinc/59/46/87/775594687.db2.gz DYDSDPZEZITMRT-JTQLQIEISA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001225913577 775632645 /nfs/dbraw/zinc/63/26/45/775632645.db2.gz WGTTZVXXUVUFQH-IAZYJMLFSA-N 1 0 280.299 2.738 20 5 CFBDRO Cc1cc(Br)cnc1O[C@H](C)C[N+](C)(C)C ZINC001226092398 775696529 /nfs/dbraw/zinc/69/65/29/775696529.db2.gz WCXUXIMKELNMOV-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO Cc1ccnc(OC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001226120807 775706954 /nfs/dbraw/zinc/70/69/54/775706954.db2.gz WWZRAONNZSGPTI-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809616 775973379 /nfs/dbraw/zinc/97/33/79/775973379.db2.gz FKUXAZQWDDMIKR-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO CC[NH+]1CCC(Oc2c(C)cccc2[N+](=O)[O-])CC1 ZINC001226970574 776038934 /nfs/dbraw/zinc/03/89/34/776038934.db2.gz ZKHFZSMAFTUFDM-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC1CCN(CCF)CC1 ZINC001226995655 776054234 /nfs/dbraw/zinc/05/42/34/776054234.db2.gz MLTZMMXMGFMAKO-UHFFFAOYSA-N 1 0 282.315 2.716 20 5 CFBDRO COc1ccc(Cl)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227140747 776113036 /nfs/dbraw/zinc/11/30/36/776113036.db2.gz ASPZLHXRZDDXRD-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222961 776143563 /nfs/dbraw/zinc/14/35/63/776143563.db2.gz YHFLAWVTHYKHQJ-GFCCVEGCSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1ccc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001227223402 776143787 /nfs/dbraw/zinc/14/37/87/776143787.db2.gz KGTIIDRDXCZXIA-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227462414 776208856 /nfs/dbraw/zinc/20/88/56/776208856.db2.gz DYZFUWIWCMJUQS-SNVBAGLBSA-N 1 0 297.311 2.612 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccccc1[N+](=O)[O-])C2 ZINC001227481338 776212143 /nfs/dbraw/zinc/21/21/43/776212143.db2.gz SUMLMWTVNXWHFV-ZSBIGDGJSA-N 1 0 262.309 2.599 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccccc1[N+](=O)[O-] ZINC001227484494 776213204 /nfs/dbraw/zinc/21/32/04/776213204.db2.gz PTOYXFDMOSNEDS-JYAVWHMHSA-N 1 0 276.336 2.704 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccccc1[N+](=O)[O-] ZINC001227484493 776213595 /nfs/dbraw/zinc/21/35/95/776213595.db2.gz PTOYXFDMOSNEDS-JJLQDPRZSA-N 1 0 276.336 2.704 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1)C2 ZINC001227521600 776219067 /nfs/dbraw/zinc/21/90/67/776219067.db2.gz SRWSGTDYJUAHLQ-DABQJJPHSA-N 1 0 262.309 2.599 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnccc1C(F)(F)F ZINC001227709004 776264171 /nfs/dbraw/zinc/26/41/71/776264171.db2.gz BHOQAUUHGAYCOY-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2scnc21 ZINC001227953519 776338350 /nfs/dbraw/zinc/33/83/50/776338350.db2.gz KHQKZQSAMYQVNS-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(F)c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001228017572 776365262 /nfs/dbraw/zinc/36/52/62/776365262.db2.gz WSSHCACODVMXNT-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccccc21 ZINC001228034618 776371267 /nfs/dbraw/zinc/37/12/67/776371267.db2.gz QSRBFLUGKPEKFA-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC001228055243 776379183 /nfs/dbraw/zinc/37/91/83/776379183.db2.gz RWVAHVOGQKHZAZ-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228736385 776589722 /nfs/dbraw/zinc/58/97/22/776589722.db2.gz FTXDHGAUMAJVHP-ZDUSSCGKSA-N 1 0 279.343 2.866 20 5 CFBDRO COC(=O)c1scc(Cl)c1O[C@H](C)C[N+](C)(C)C ZINC001228777918 776607378 /nfs/dbraw/zinc/60/73/78/776607378.db2.gz LQRMQYVLNLGMNY-MRVPVSSYSA-N 1 0 292.808 2.662 20 5 CFBDRO Cc1cc(OC2CCN(CCF)CC2)cc([N+](=O)[O-])c1 ZINC001228833472 776626186 /nfs/dbraw/zinc/62/61/86/776626186.db2.gz LPWMNWHSLYRQMY-UHFFFAOYSA-N 1 0 282.315 2.716 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2ccsc2c1 ZINC001228901738 776651257 /nfs/dbraw/zinc/65/12/57/776651257.db2.gz LQMNCDOWAZHSIC-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001228915464 776657872 /nfs/dbraw/zinc/65/78/72/776657872.db2.gz FFCVXMIJCZAMFI-CYBMUJFWSA-N 1 0 264.325 2.765 20 5 CFBDRO CC(=O)c1cccc(O[C@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001229130814 776727517 /nfs/dbraw/zinc/72/75/17/776727517.db2.gz DLBVPQLRBIGDKT-LBPRGKRZSA-N 1 0 292.335 2.661 20 5 CFBDRO Cc1cc(=O)oc2ccc(O[C@@H](C)C[N+](C)(C)C)cc12 ZINC001229196265 776749225 /nfs/dbraw/zinc/74/92/25/776749225.db2.gz RQANKQYGOOLERB-LBPRGKRZSA-N 1 0 276.356 2.575 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2c(C)cc(F)cc2[N+](=O)[O-])C1 ZINC001229202156 776751079 /nfs/dbraw/zinc/75/10/79/776751079.db2.gz WGGNQIXZOHBZNC-GFCCVEGCSA-N 1 0 282.315 2.905 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342543 776785264 /nfs/dbraw/zinc/78/52/64/776785264.db2.gz BNBLDYCEWZIBAX-CYBMUJFWSA-N 1 0 287.319 2.616 20 5 CFBDRO CC(=O)Nc1cc(Cl)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229416463 776805212 /nfs/dbraw/zinc/80/52/12/776805212.db2.gz USBOJXBYHFGDCM-SNVBAGLBSA-O 1 0 285.795 2.772 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229488067 776826490 /nfs/dbraw/zinc/82/64/90/776826490.db2.gz TZADQCGRARZZJO-LLVKDONJSA-N 1 0 291.307 2.598 20 5 CFBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001229678118 776870738 /nfs/dbraw/zinc/87/07/38/776870738.db2.gz CQZQKUAJYZXGDW-GFCCVEGCSA-N 1 0 287.383 2.911 20 5 CFBDRO COC(=O)c1c(Cl)cccc1O[C@H](C)C[N+](C)(C)C ZINC001229841124 776901560 /nfs/dbraw/zinc/90/15/60/776901560.db2.gz HZFJAKCLCBNFBV-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1N(C)C ZINC001229846828 776902495 /nfs/dbraw/zinc/90/24/95/776902495.db2.gz YENGAPSUWCXTSZ-LLVKDONJSA-N 1 0 271.812 2.880 20 5 CFBDRO Cc1ccc(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230143920 776955605 /nfs/dbraw/zinc/95/56/05/776955605.db2.gz QUUMXPOPOHSEEU-GFCCVEGCSA-N 1 0 264.325 2.765 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000710811824 777119549 /nfs/dbraw/zinc/11/95/49/777119549.db2.gz PGTRJSRCFKXWLJ-NEPJUHHUSA-N 1 0 264.325 2.731 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2c(ccc(F)c2F)c1 ZINC001231153933 777158511 /nfs/dbraw/zinc/15/85/11/777158511.db2.gz PHEYYNQMJAXBGY-JTQLQIEISA-N 1 0 281.326 2.987 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cc(F)cnc21 ZINC001231150313 777158590 /nfs/dbraw/zinc/15/85/90/777158590.db2.gz ADIZPZWNTJGPBY-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156901 777159333 /nfs/dbraw/zinc/15/93/33/777159333.db2.gz UAFZNHCTBVVWCD-LBPRGKRZSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001226302697 777499478 /nfs/dbraw/zinc/49/94/78/777499478.db2.gz IAUISFLHHGOZNZ-QMMMGPOBSA-N 1 0 292.257 2.943 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226918267 777696614 /nfs/dbraw/zinc/69/66/14/777696614.db2.gz QGWIJXMZCOWAHA-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)c([N+](=O)[O-])cn1)C2 ZINC001226918461 777697783 /nfs/dbraw/zinc/69/77/83/777697783.db2.gz XIXVWHWSBONUBL-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO CCC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001226959082 777710504 /nfs/dbraw/zinc/71/05/04/777710504.db2.gz MSMPYACQZZMORI-LBPRGKRZSA-N 1 0 250.362 2.753 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC001233495968 777969103 /nfs/dbraw/zinc/96/91/03/777969103.db2.gz OGUCLGKNIMGVBN-LLVKDONJSA-N 1 0 294.351 2.907 20 5 CFBDRO Cc1cc(O)c(Cl)cc1O[C@H](C)C[N+](C)(C)C ZINC001233591368 777999188 /nfs/dbraw/zinc/99/91/88/777999188.db2.gz FWQRZSCNRVSFIV-SNVBAGLBSA-O 1 0 258.769 2.828 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233597163 778005308 /nfs/dbraw/zinc/00/53/08/778005308.db2.gz IJVAYYFVLKNWID-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233753579 778064144 /nfs/dbraw/zinc/06/41/44/778064144.db2.gz NCHHRXLNVZXGJG-SECBINFHSA-N 1 0 286.278 2.735 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(OC(F)F)c1 ZINC001233968874 778127201 /nfs/dbraw/zinc/12/72/01/778127201.db2.gz GTCWTJVHNCHKOG-JTQLQIEISA-N 1 0 260.304 2.762 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234060544 778155413 /nfs/dbraw/zinc/15/54/13/778155413.db2.gz QSBSZXLTCLJLNC-LLVKDONJSA-N 1 0 282.315 2.905 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228756665 778192599 /nfs/dbraw/zinc/19/25/99/778192599.db2.gz PQAMAYZBTODFAX-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO COc1c(Cl)cccc1O[C@H](C)C[N+](C)(C)C ZINC001234643367 778273559 /nfs/dbraw/zinc/27/35/59/778273559.db2.gz SYDUZTRGHPJOIS-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001234900858 778325059 /nfs/dbraw/zinc/32/50/59/778325059.db2.gz LYUPEVHCVYEFHJ-HAQNSBGRSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H](CCNCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000697926449 778541618 /nfs/dbraw/zinc/54/16/18/778541618.db2.gz ISFDOHPFXDHNOM-JTQLQIEISA-N 1 0 285.775 2.678 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CO)CCCC2)c1 ZINC000160074796 778591421 /nfs/dbraw/zinc/59/14/21/778591421.db2.gz AYFLNGYWHMNOIR-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO CC(C)Oc1cc(F)c(COCC[N+](C)(C)C)c(F)c1 ZINC001224773089 778679036 /nfs/dbraw/zinc/67/90/36/778679036.db2.gz DLVDTELPRAINED-UHFFFAOYSA-N 1 0 288.358 2.975 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NCc1cnc(C)nc1 ZINC001168391840 778775679 /nfs/dbraw/zinc/77/56/79/778775679.db2.gz NSTIFFCWBLTBEU-UHFFFAOYSA-N 1 0 285.415 2.993 20 5 CFBDRO CC[C@H]([NH3+])CN(C)Cc1ccc2ccc3cccnc3c2n1 ZINC001236868901 778969105 /nfs/dbraw/zinc/96/91/05/778969105.db2.gz JXCUZSJTLLINHC-HNNXBMFYSA-N 1 0 294.402 2.952 20 5 CFBDRO CSc1ncc(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001234283265 779197513 /nfs/dbraw/zinc/19/75/13/779197513.db2.gz PYDGUDRXBDFBOD-NSHDSACASA-N 1 0 255.407 2.585 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ncsc21 ZINC001234473535 779233691 /nfs/dbraw/zinc/23/36/91/779233691.db2.gz HQXDPHZEYVNFCH-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO Cc1c(O[C@@H](C)C[N+](C)(C)C)[nH]c2ccccc2c1=O ZINC001234647812 779257931 /nfs/dbraw/zinc/25/79/31/779257931.db2.gz QXPGFXKDGKUBEV-NSHDSACASA-O 1 0 275.372 2.722 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)c(C)c(C)c1[N+](=O)[O-] ZINC001234872100 779276806 /nfs/dbraw/zinc/27/68/06/779276806.db2.gz RICKTOMJELNXRV-NSHDSACASA-N 1 0 281.376 2.994 20 5 CFBDRO CCC1(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]C1 ZINC001168583686 780004632 /nfs/dbraw/zinc/00/46/32/780004632.db2.gz QPXVJDBASLAINX-UHFFFAOYSA-N 1 0 289.257 2.778 20 5 CFBDRO COc1c(F)cc(NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001168767861 780154858 /nfs/dbraw/zinc/15/48/58/780154858.db2.gz KRAAGPKNELRRGS-UHFFFAOYSA-N 1 0 299.346 2.742 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)ccc1Cl ZINC000700636532 780711221 /nfs/dbraw/zinc/71/12/21/780711221.db2.gz WRCBAMHLMFVOPG-VXGBXAGGSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000701050665 780752286 /nfs/dbraw/zinc/75/22/86/780752286.db2.gz VABYLBGPGZTDHH-QOBXEIRBSA-N 1 0 282.315 2.635 20 5 CFBDRO COC(=O)Cc1ccc(NC(=[NH2+])C(C)(C)C)cc1[N+](=O)[O-] ZINC001162664337 781093324 /nfs/dbraw/zinc/09/33/24/781093324.db2.gz FKWIFWRTQJVVKP-UHFFFAOYSA-N 1 0 293.323 2.746 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000710985827 781351532 /nfs/dbraw/zinc/35/15/32/781351532.db2.gz AZJNOOLSQAHSSW-WZRBSPASSA-N 1 0 264.325 2.670 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1c(Cl)nccc1[N+](=O)[O-] ZINC001168764034 781553305 /nfs/dbraw/zinc/55/33/05/781553305.db2.gz NQDZZFVEWGSYPM-UHFFFAOYSA-N 1 0 286.763 2.643 20 5 CFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164067204 781659948 /nfs/dbraw/zinc/65/99/48/781659948.db2.gz CCZALNGTPIMSAI-WPRPVWTQSA-N 1 0 298.774 2.515 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000594512134 349436610 /nfs/dbraw/zinc/43/66/10/349436610.db2.gz SSONIXCKXYCOSS-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594513531 349437483 /nfs/dbraw/zinc/43/74/83/349437483.db2.gz ZOBSVEVDUXCFHZ-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594597066 349455911 /nfs/dbraw/zinc/45/59/11/349455911.db2.gz CESJRXTZWVYGDW-CHWSQXEVSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594599422 349456881 /nfs/dbraw/zinc/45/68/81/349456881.db2.gz JSAGKPDFFGSYOA-KBPBESRZSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594601244 349458043 /nfs/dbraw/zinc/45/80/43/349458043.db2.gz MXQGTXQWZBVGJA-GXTWGEPZSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000273050373 192030796 /nfs/dbraw/zinc/03/07/96/192030796.db2.gz KGRJPVBFPTZXIG-CABCVRRESA-N 1 0 294.326 2.781 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OCC)C1 ZINC000594968767 349534650 /nfs/dbraw/zinc/53/46/50/349534650.db2.gz KGYADWNYYJYUSL-MQMHXKEQSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000594969706 349535057 /nfs/dbraw/zinc/53/50/57/349535057.db2.gz ZQHDIFMSZCFGAE-HNNXBMFYSA-N 1 0 291.395 2.866 20 5 CFBDRO COc1ccc(C[NH2+]CCC2CC(OC)C2)cc1[N+](=O)[O-] ZINC000594965166 349533246 /nfs/dbraw/zinc/53/32/46/349533246.db2.gz QUJANGXVVFZPKN-UHFFFAOYSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594979281 349537503 /nfs/dbraw/zinc/53/75/03/349537503.db2.gz IBUDGMMPEAOHEU-CQSZACIVSA-N 1 0 291.395 2.805 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594982982 349537843 /nfs/dbraw/zinc/53/78/43/349537843.db2.gz DHXSWLXMMUOJST-AAEUAGOBSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1ccc(C[NH2+]CC2=CCCC2)cc1[N+](=O)[O-] ZINC000594990244 349541425 /nfs/dbraw/zinc/54/14/25/349541425.db2.gz OYLJCPUPQAWAON-UHFFFAOYSA-N 1 0 262.309 2.803 20 5 CFBDRO CC1(C)[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC000594991615 349541429 /nfs/dbraw/zinc/54/14/29/349541429.db2.gz JVQOXDOHYGCRIT-LLVKDONJSA-N 1 0 270.279 2.976 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000594985689 349539085 /nfs/dbraw/zinc/53/90/85/349539085.db2.gz NBFOIERDXQBFIQ-NSHDSACASA-N 1 0 256.252 2.730 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594985732 349539120 /nfs/dbraw/zinc/53/91/20/349539120.db2.gz OBWKWYJEVHIOTL-LLVKDONJSA-N 1 0 256.252 2.730 20 5 CFBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000594984558 349539301 /nfs/dbraw/zinc/53/93/01/349539301.db2.gz JELVYZFPZITFIP-RISCZKNCSA-N 1 0 264.325 2.642 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000594986751 349540165 /nfs/dbraw/zinc/54/01/65/349540165.db2.gz HFTRBMKBMUQWNS-VNGFFZMTSA-N 1 0 288.347 2.501 20 5 CFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000125130147 187171291 /nfs/dbraw/zinc/17/12/91/187171291.db2.gz WBGPPPBJIPQIAO-GFCCVEGCSA-N 1 0 291.351 2.655 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000595010302 349548597 /nfs/dbraw/zinc/54/85/97/349548597.db2.gz GQISQXWCXGSZBP-UHFFFAOYSA-N 1 0 284.306 2.815 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000595016040 349551133 /nfs/dbraw/zinc/55/11/33/349551133.db2.gz GKFREYOIINKKEN-BPNCWPANSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC1 ZINC000595019710 349551898 /nfs/dbraw/zinc/55/18/98/349551898.db2.gz QGKJOVKEJGAWNZ-VIFPVBQESA-N 1 0 250.298 2.807 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005286 349545575 /nfs/dbraw/zinc/54/55/75/349545575.db2.gz BHNCHOPOVXXBEB-GFCCVEGCSA-N 1 0 295.383 2.596 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000595048772 349564062 /nfs/dbraw/zinc/56/40/62/349564062.db2.gz NCMLTOHKFGJQSG-MFKMUULPSA-N 1 0 276.336 2.739 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)COC1 ZINC000595052935 349566356 /nfs/dbraw/zinc/56/63/56/349566356.db2.gz TWHOXVXCOJKVCY-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO COC[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000595059951 349570460 /nfs/dbraw/zinc/57/04/60/349570460.db2.gz JFXFHRPWUACTLW-STQMWFEESA-N 1 0 296.367 2.605 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595068083 349572997 /nfs/dbraw/zinc/57/29/97/349572997.db2.gz OGDOMMRSOVHVRH-SMDDNHRTSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](OC)C1CC1 ZINC000595038846 349559701 /nfs/dbraw/zinc/55/97/01/349559701.db2.gz PAMIDYRFJXGPPR-ZUZCIYMTSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](OC)C1CC1 ZINC000595038824 349559838 /nfs/dbraw/zinc/55/98/38/349559838.db2.gz PAMIDYRFJXGPPR-BMIGLBTASA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](OC)C1CC1 ZINC000595038839 349560186 /nfs/dbraw/zinc/56/01/86/349560186.db2.gz PAMIDYRFJXGPPR-MEBBXXQBSA-N 1 0 294.351 2.679 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595088875 349577573 /nfs/dbraw/zinc/57/75/73/349577573.db2.gz FNAUQILPNBTGIK-CQDKDKBSSA-N 1 0 290.363 2.857 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000595092778 349579323 /nfs/dbraw/zinc/57/93/23/349579323.db2.gz WMUCHCJGVBFWMZ-TZMCWYRMSA-N 1 0 292.379 2.962 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000595105385 349583257 /nfs/dbraw/zinc/58/32/57/349583257.db2.gz FWACFIILLJLJPK-GLQYFDAESA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595325419 349602606 /nfs/dbraw/zinc/60/26/06/349602606.db2.gz HUAJXNVPVVEVLL-WDEREUQCSA-N 1 0 265.313 2.656 20 5 CFBDRO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CC1 ZINC000595289796 349590615 /nfs/dbraw/zinc/59/06/15/349590615.db2.gz UEEXQQBWFITUES-UHFFFAOYSA-N 1 0 253.302 2.513 20 5 CFBDRO CC(=O)c1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000068320757 346847143 /nfs/dbraw/zinc/84/71/43/346847143.db2.gz SCJKOPYBHVUJBF-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595290902 349592266 /nfs/dbraw/zinc/59/22/66/349592266.db2.gz GGELSOCQHIDQOE-JTQLQIEISA-N 1 0 253.302 2.656 20 5 CFBDRO COC(C)(C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343190 349606689 /nfs/dbraw/zinc/60/66/89/349606689.db2.gz GFYCWYAEABZKRD-UHFFFAOYSA-N 1 0 270.304 2.591 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595372420 349611384 /nfs/dbraw/zinc/61/13/84/349611384.db2.gz ILLJKEYBYHZTOX-AWEZNQCLSA-N 1 0 295.358 2.696 20 5 CFBDRO Cc1noc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595410017 349618100 /nfs/dbraw/zinc/61/81/00/349618100.db2.gz ISZYFVOSRMGUCQ-GDGBQDQQSA-N 1 0 267.329 2.806 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595427164 349622261 /nfs/dbraw/zinc/62/22/61/349622261.db2.gz ROPWWIGYHURDKF-SECBINFHSA-N 1 0 267.329 2.759 20 5 CFBDRO COCC[C@@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595442446 349627443 /nfs/dbraw/zinc/62/74/43/349627443.db2.gz RODNQHXNOFVUDX-LBPRGKRZSA-N 1 0 297.355 2.530 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595453474 349630776 /nfs/dbraw/zinc/63/07/76/349630776.db2.gz PEOZBMVMPFHMKZ-MWLCHTKSSA-N 1 0 267.329 2.902 20 5 CFBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595462497 349634658 /nfs/dbraw/zinc/63/46/58/349634658.db2.gz VTWCLBCFSDFIGY-AWEZNQCLSA-N 1 0 297.355 2.672 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000595473739 349637746 /nfs/dbraw/zinc/63/77/46/349637746.db2.gz BGOZTBLLEFQUQC-ZFWWWQNUSA-N 1 0 294.326 2.877 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1COC(C)(C)C1 ZINC000595476773 349638562 /nfs/dbraw/zinc/63/85/62/349638562.db2.gz PCTWUWIWFVUYPM-AWEZNQCLSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595510851 349647171 /nfs/dbraw/zinc/64/71/71/349647171.db2.gz DIKHPGRDMOCTOW-BIGNPOOSSA-N 1 0 296.342 2.883 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595521988 349650016 /nfs/dbraw/zinc/65/00/16/349650016.db2.gz HLBQFYNHMIMGAK-HZMBPMFUSA-N 1 0 282.315 2.591 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000595509720 349646853 /nfs/dbraw/zinc/64/68/53/349646853.db2.gz IAQQEIWEPGJTFD-ZAZJYDDPSA-N 1 0 289.335 2.535 20 5 CFBDRO Cc1noc(C[NH2+][C@@]2(C)CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595531845 349652420 /nfs/dbraw/zinc/65/24/20/349652420.db2.gz YTEQGNAOIUMGIA-RNCFNFMXSA-N 1 0 267.329 2.950 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCC1 ZINC000595535287 349653160 /nfs/dbraw/zinc/65/31/60/349653160.db2.gz WMYKBJKOLUDRNF-LLVKDONJSA-N 1 0 267.329 2.950 20 5 CFBDRO Cc1noc(C[N@H+]2CC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595540921 349654937 /nfs/dbraw/zinc/65/49/37/349654937.db2.gz AEJKOUAJRSDQFA-MRVPVSSYSA-N 1 0 253.302 2.512 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000069064043 346881611 /nfs/dbraw/zinc/88/16/11/346881611.db2.gz ZFUVYRLGHOAMRW-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCCOC1 ZINC000595750528 349722752 /nfs/dbraw/zinc/72/27/52/349722752.db2.gz CEKJTAWDBKGFJF-GFCCVEGCSA-N 1 0 276.336 2.934 20 5 CFBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756878 349725002 /nfs/dbraw/zinc/72/50/02/349725002.db2.gz HCPZQKALWOXYNU-SMDDNHRTSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595829442 349744702 /nfs/dbraw/zinc/74/47/02/349744702.db2.gz HXIKMQXSDSFWEC-KWCYVHTRSA-N 1 0 276.336 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(Cl)c1 ZINC000595830899 349745776 /nfs/dbraw/zinc/74/57/76/349745776.db2.gz MWRRSLMUNUHSPJ-VXGBXAGGSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296781905 290029444 /nfs/dbraw/zinc/02/94/44/290029444.db2.gz QFXPAWONPGXSDL-YAMSLAJTSA-N 1 0 264.325 2.811 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595779626 349731073 /nfs/dbraw/zinc/73/10/73/349731073.db2.gz DSCFIRBJHYGFSO-NEPJUHHUSA-N 1 0 278.352 2.903 20 5 CFBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000595904428 349765439 /nfs/dbraw/zinc/76/54/39/349765439.db2.gz YQJNZUYVTLAVEV-HNNXBMFYSA-N 1 0 297.358 2.875 20 5 CFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000420274137 529612032 /nfs/dbraw/zinc/61/20/32/529612032.db2.gz JPHIPQRFROBCLO-AWEZNQCLSA-N 1 0 286.335 2.664 20 5 CFBDRO CC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372724 529671674 /nfs/dbraw/zinc/67/16/74/529671674.db2.gz IPIIWINQKKAAGZ-WHOFXGATSA-N 1 0 277.368 2.776 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596095377 349793759 /nfs/dbraw/zinc/79/37/59/349793759.db2.gz PUDMOVCHPCRQNB-LLVKDONJSA-N 1 0 270.304 2.540 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000596117490 349798188 /nfs/dbraw/zinc/79/81/88/349798188.db2.gz HLYOOPPOBJNXRZ-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000072858563 346943480 /nfs/dbraw/zinc/94/34/80/346943480.db2.gz TUQDBZWNHYKNDL-KBPBESRZSA-N 1 0 291.395 2.929 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(C)(C)O ZINC000294993109 199289308 /nfs/dbraw/zinc/28/93/08/199289308.db2.gz HTXNCVKYYRTDSG-LLVKDONJSA-N 1 0 296.367 2.633 20 5 CFBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000072870456 346944743 /nfs/dbraw/zinc/94/47/43/346944743.db2.gz KDWYBHOOEHFFSZ-RYUDHWBXSA-N 1 0 291.351 2.511 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000072924458 346948865 /nfs/dbraw/zinc/94/88/65/346948865.db2.gz NQIONBYRFIVOCJ-CQSZACIVSA-N 1 0 266.341 2.664 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CCO)CCCC2)c1 ZINC000072925926 346949534 /nfs/dbraw/zinc/94/95/34/346949534.db2.gz FJLSMQSWAJVWGA-UHFFFAOYSA-N 1 0 278.352 2.627 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000596337423 349868709 /nfs/dbraw/zinc/86/87/09/349868709.db2.gz XBWTUPKKTMJUCX-JTQLQIEISA-N 1 0 298.774 2.928 20 5 CFBDRO Cc1ccnc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596337144 349869247 /nfs/dbraw/zinc/86/92/47/349869247.db2.gz UVYSOUMEHRREBQ-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295530482 199550505 /nfs/dbraw/zinc/55/05/05/199550505.db2.gz NHCUTXDMWBORQF-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO CCOc1cccc(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596428710 349900481 /nfs/dbraw/zinc/90/04/81/349900481.db2.gz GXCQFLNCCFKWKR-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074739158 347029690 /nfs/dbraw/zinc/02/96/90/347029690.db2.gz BHABWIOWVFGMCA-LBPRGKRZSA-N 1 0 280.372 2.686 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000135290139 530000201 /nfs/dbraw/zinc/00/02/01/530000201.db2.gz SKVVFAYGYUDGRT-QMMMGPOBSA-N 1 0 257.721 2.516 20 5 CFBDRO Cc1c(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000235834014 539393677 /nfs/dbraw/zinc/39/36/77/539393677.db2.gz VQJXUBOJDNVUIY-CYBMUJFWSA-N 1 0 291.351 2.620 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413263597 530051810 /nfs/dbraw/zinc/05/18/10/530051810.db2.gz IMMKDARYPMICOJ-GFCCVEGCSA-N 1 0 296.346 2.661 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000016446288 232171790 /nfs/dbraw/zinc/17/17/90/232171790.db2.gz YYILLUDXOMWJBE-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO C[NH+](C)C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000097929452 232183009 /nfs/dbraw/zinc/18/30/09/232183009.db2.gz KIIQWBAPRSQXJJ-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026159212 346264117 /nfs/dbraw/zinc/26/41/17/346264117.db2.gz FZTOWACTRSUDIW-GFCCVEGCSA-N 1 0 291.351 2.655 20 5 CFBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000295137007 199365979 /nfs/dbraw/zinc/36/59/79/199365979.db2.gz PGWUPMQMINFRTL-OAHLLOKOSA-N 1 0 278.352 2.762 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030148673 346286313 /nfs/dbraw/zinc/28/63/13/346286313.db2.gz ZWVYBSFJLHYXPU-NSHDSACASA-N 1 0 279.340 2.510 20 5 CFBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000036966904 346325170 /nfs/dbraw/zinc/32/51/70/346325170.db2.gz JPDSOFUJFUKZBY-JTQLQIEISA-N 1 0 281.331 2.876 20 5 CFBDRO CC(C)[NH+](CCNC(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000044850673 346399361 /nfs/dbraw/zinc/39/93/61/346399361.db2.gz RTYAFTTYEJRZHS-UHFFFAOYSA-N 1 0 299.396 2.505 20 5 CFBDRO C[C@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648608 349967535 /nfs/dbraw/zinc/96/75/35/349967535.db2.gz SNXJWFNRKFWWRL-NSHDSACASA-N 1 0 263.341 2.517 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@@H]21 ZINC000085674331 179111681 /nfs/dbraw/zinc/11/16/81/179111681.db2.gz LDJDSKSTPZBZII-KFWWJZLASA-N 1 0 290.363 2.888 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCC(C)C ZINC000053361046 346543845 /nfs/dbraw/zinc/54/38/45/346543845.db2.gz LKLCTJNBBMBJKM-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000057148215 346619949 /nfs/dbraw/zinc/61/99/49/346619949.db2.gz YDPMICALDXBTOX-FRRDWIJNSA-N 1 0 292.383 2.768 20 5 CFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196056 346603972 /nfs/dbraw/zinc/60/39/72/346603972.db2.gz OUUYQXWKIKPTQJ-NWDGAFQWSA-N 1 0 293.367 2.550 20 5 CFBDRO CCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000060493356 346667012 /nfs/dbraw/zinc/66/70/12/346667012.db2.gz VUSKSVPPEBBQTR-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000063527595 346703234 /nfs/dbraw/zinc/70/32/34/346703234.db2.gz VUMSNUFUKAVZDJ-MRXNPFEDSA-N 1 0 289.379 2.513 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000066371802 346756391 /nfs/dbraw/zinc/75/63/91/346756391.db2.gz JDUDCHVPIGVXCU-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075892385 347106169 /nfs/dbraw/zinc/10/61/69/347106169.db2.gz ZHKYLSLPNSJHJZ-TXEJJXNPSA-N 1 0 280.393 2.963 20 5 CFBDRO C[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000075895075 347107274 /nfs/dbraw/zinc/10/72/74/347107274.db2.gz KVWBUTJARJMJRW-GHMZBOCLSA-N 1 0 266.366 2.921 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332717 347241689 /nfs/dbraw/zinc/24/16/89/347241689.db2.gz CIXZAPZFEUHBMD-CHWSQXEVSA-N 1 0 277.368 2.761 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078563290 347261899 /nfs/dbraw/zinc/26/18/99/347261899.db2.gz OKZCASUWTLLRFM-LLVKDONJSA-N 1 0 283.397 2.824 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000078967179 347281989 /nfs/dbraw/zinc/28/19/89/347281989.db2.gz IEEDCZKVQCQWAP-LLVKDONJSA-N 1 0 299.330 2.545 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974513 347391473 /nfs/dbraw/zinc/39/14/73/347391473.db2.gz NKMYOOMAGNXWAY-ZDUSSCGKSA-N 1 0 286.335 2.698 20 5 CFBDRO Cc1ccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000088275934 347500735 /nfs/dbraw/zinc/50/07/35/347500735.db2.gz IWPDDSRYXDVIGK-LBPRGKRZSA-N 1 0 293.367 2.853 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088276718 347500918 /nfs/dbraw/zinc/50/09/18/347500918.db2.gz NMBJUYOMHAIJGV-LBPRGKRZSA-N 1 0 293.367 2.853 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000090909958 347561900 /nfs/dbraw/zinc/56/19/00/347561900.db2.gz AEPUEPOJPFFVOZ-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000091457842 347587357 /nfs/dbraw/zinc/58/73/57/347587357.db2.gz MVEJHLDHIMVNKU-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000091457841 347587443 /nfs/dbraw/zinc/58/74/43/347587443.db2.gz MVEJHLDHIMVNKU-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000091486190 347590791 /nfs/dbraw/zinc/59/07/91/347590791.db2.gz QWSKMRMIAHIMMZ-DOMZBBRYSA-N 1 0 275.352 2.515 20 5 CFBDRO CC(C)c1ccc(C[N@H+](CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000092506053 347629660 /nfs/dbraw/zinc/62/96/60/347629660.db2.gz XSPQFTOIYXGMFZ-UHFFFAOYSA-N 1 0 292.379 2.923 20 5 CFBDRO CCOc1cc(NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000092650586 347636356 /nfs/dbraw/zinc/63/63/56/347636356.db2.gz BBYUOWOYXGZMGS-CQSZACIVSA-N 1 0 293.367 2.746 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000092649570 347636767 /nfs/dbraw/zinc/63/67/67/347636767.db2.gz ZHXNFFYEFDCWSH-SECBINFHSA-N 1 0 297.330 2.637 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000093821819 347685010 /nfs/dbraw/zinc/68/50/10/347685010.db2.gz OHSQICVNSBDSIH-LOWQCSRCSA-N 1 0 292.379 2.947 20 5 CFBDRO C[C@@H]1CCC[C@](CNc2cccnc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000127029909 347839098 /nfs/dbraw/zinc/83/90/98/347839098.db2.gz CGJBPIPQZIGAIB-DOMZBBRYSA-N 1 0 292.383 2.912 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000129955472 347865680 /nfs/dbraw/zinc/86/56/80/347865680.db2.gz XPKQFRKMOVBOAN-SNVBAGLBSA-N 1 0 264.325 2.882 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000153884221 347976088 /nfs/dbraw/zinc/97/60/88/347976088.db2.gz PJZDLOHGCVFVKN-JLLWLGSASA-N 1 0 282.365 2.559 20 5 CFBDRO CCC(CC)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000159082544 348010205 /nfs/dbraw/zinc/01/02/05/348010205.db2.gz HGWGNTJUPVGRQO-UHFFFAOYSA-N 1 0 266.341 2.999 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1C ZINC000154653973 347981741 /nfs/dbraw/zinc/98/17/41/347981741.db2.gz SITULRXRYKONLL-HIFRSBDPSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000154654080 347981906 /nfs/dbraw/zinc/98/19/06/347981906.db2.gz SITULRXRYKONLL-DZGCQCFKSA-N 1 0 291.395 2.600 20 5 CFBDRO CCC1(CO)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000270863624 190846638 /nfs/dbraw/zinc/84/66/38/190846638.db2.gz IMMOQALYOMYXMZ-UHFFFAOYSA-N 1 0 278.352 2.579 20 5 CFBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000219733899 348169050 /nfs/dbraw/zinc/16/90/50/348169050.db2.gz QXHPLZZHPNLGHB-UHFFFAOYSA-N 1 0 263.341 2.880 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000235505064 348227938 /nfs/dbraw/zinc/22/79/38/348227938.db2.gz RNUDAETZPCXNMX-SCRDCRAPSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1OCC[C@@H]1CC[NH2+]C1 ZINC000236049604 348231174 /nfs/dbraw/zinc/23/11/74/348231174.db2.gz KVGRYJRTUSHXMO-VIFPVBQESA-N 1 0 270.716 2.627 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC(C)(C)O ZINC000266990354 348326198 /nfs/dbraw/zinc/32/61/98/348326198.db2.gz AQKBBDAFNISGAH-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000311020926 348411792 /nfs/dbraw/zinc/41/17/92/348411792.db2.gz ZCCKXJQEVRHWKQ-SNVBAGLBSA-N 1 0 256.252 2.872 20 5 CFBDRO CCC[N@H+](CC)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311629031 348414019 /nfs/dbraw/zinc/41/40/19/348414019.db2.gz VBWPTDMIGAYBQH-UHFFFAOYSA-N 1 0 286.763 2.787 20 5 CFBDRO Cc1cc(OCC2CC[NH2+]CC2)c(Cl)cc1[N+](=O)[O-] ZINC000312059986 348416397 /nfs/dbraw/zinc/41/63/97/348416397.db2.gz HNRRVKFGQQFTSX-UHFFFAOYSA-N 1 0 284.743 2.935 20 5 CFBDRO CO[C@@](C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000312295094 348416973 /nfs/dbraw/zinc/41/69/73/348416973.db2.gz AAADQAJKHGJQOF-HNNXBMFYSA-N 1 0 278.352 2.542 20 5 CFBDRO COc1cc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000312733912 348420443 /nfs/dbraw/zinc/42/04/43/348420443.db2.gz WOTAKPCYVHJQKW-UHFFFAOYSA-N 1 0 281.356 2.664 20 5 CFBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000273373198 192130237 /nfs/dbraw/zinc/13/02/37/192130237.db2.gz BAEDRBHDQZHRSY-UHFFFAOYSA-N 1 0 294.351 2.677 20 5 CFBDRO CC[C@](C)(C[NH2+]CCc1ccccc1[N+](=O)[O-])OC ZINC000323083607 348437973 /nfs/dbraw/zinc/43/79/73/348437973.db2.gz ZGSFFKSKRZRZRK-CQSZACIVSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000273397783 192138158 /nfs/dbraw/zinc/13/81/58/192138158.db2.gz LHNQIMFRUPMKES-YPMHNXCESA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000401103702 348577178 /nfs/dbraw/zinc/57/71/78/348577178.db2.gz HLQCITKKBWHOMV-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000273441388 192151514 /nfs/dbraw/zinc/15/15/14/192151514.db2.gz MYEMCNJSVRIGTE-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)sn1 ZINC000404435484 348592569 /nfs/dbraw/zinc/59/25/69/348592569.db2.gz CDCVBDLDXQNXKF-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCCO)CC1 ZINC000273455815 192156991 /nfs/dbraw/zinc/15/69/91/192156991.db2.gz ZUXNEOXWTYPAHH-UHFFFAOYSA-N 1 0 292.379 2.888 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000589494689 348835717 /nfs/dbraw/zinc/83/57/17/348835717.db2.gz YFJLJQFRHAQXOX-NSHDSACASA-N 1 0 292.335 2.613 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000589584266 348839740 /nfs/dbraw/zinc/83/97/40/348839740.db2.gz OAPIZDUTVZRNKS-DTWKUNHWSA-N 1 0 267.354 2.693 20 5 CFBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000589689982 348851106 /nfs/dbraw/zinc/85/11/06/348851106.db2.gz QEMJUDCDZXHOIO-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](C)OC ZINC000589753367 348855320 /nfs/dbraw/zinc/85/53/20/348855320.db2.gz QWFANVWVMTZROM-JTQLQIEISA-N 1 0 293.323 2.593 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000590726015 348938073 /nfs/dbraw/zinc/93/80/73/348938073.db2.gz LFUIDWGFCTYZPJ-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000590373253 348897590 /nfs/dbraw/zinc/89/75/90/348897590.db2.gz HOFXKNFAEIARDM-OAHLLOKOSA-N 1 0 290.363 2.783 20 5 CFBDRO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000590703959 348931650 /nfs/dbraw/zinc/93/16/50/348931650.db2.gz NWQJDRFCKBWYEL-SNVBAGLBSA-N 1 0 281.381 2.577 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972118 348975713 /nfs/dbraw/zinc/97/57/13/348975713.db2.gz CAJXUSIXGMFVPY-OBMCYFHOSA-N 1 0 288.347 2.719 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000271112189 190948518 /nfs/dbraw/zinc/94/85/18/190948518.db2.gz HOTMZZQPPWJJNU-RISCZKNCSA-N 1 0 296.367 2.661 20 5 CFBDRO CCC(CC)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591734572 349041293 /nfs/dbraw/zinc/04/12/93/349041293.db2.gz RKUHVMAJJCBFNT-UHFFFAOYSA-N 1 0 293.367 2.949 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282621 349006160 /nfs/dbraw/zinc/00/61/60/349006160.db2.gz HSEBEMXXEKQSHL-AWEZNQCLSA-N 1 0 289.379 2.668 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000591348374 349010833 /nfs/dbraw/zinc/01/08/33/349010833.db2.gz ZWPGTTUBMZHPSO-QWHCGFSZSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1cccc(N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000591442933 349022702 /nfs/dbraw/zinc/02/27/02/349022702.db2.gz SZOGKWIHEATHTC-AWEZNQCLSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000591505406 349027494 /nfs/dbraw/zinc/02/74/94/349027494.db2.gz CTEPWYQBZFSGDN-OAHLLOKOSA-N 1 0 290.363 2.783 20 5 CFBDRO C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592356865 349107942 /nfs/dbraw/zinc/10/79/42/349107942.db2.gz IWRKAVNXFLTCIC-JOYOIKCWSA-N 1 0 288.307 2.554 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357978 349108806 /nfs/dbraw/zinc/10/88/06/349108806.db2.gz ZWSSATDLPZCDRL-WSKFYRRCSA-N 1 0 286.291 2.573 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000592375577 349112019 /nfs/dbraw/zinc/11/20/19/349112019.db2.gz UJBAMVISOFFPQE-GXSJLCMTSA-N 1 0 272.370 2.543 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414216303 233198126 /nfs/dbraw/zinc/19/81/26/233198126.db2.gz ZLWCGSFRRUCNRV-CHWSQXEVSA-N 1 0 280.368 2.788 20 5 CFBDRO Cc1cncc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000593017906 349188068 /nfs/dbraw/zinc/18/80/68/349188068.db2.gz DHKYHOIYUNSSDG-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000593316172 349245831 /nfs/dbraw/zinc/24/58/31/349245831.db2.gz MXKWNKJLXZXBGM-CQSZACIVSA-N 1 0 283.331 2.721 20 5 CFBDRO COc1cc(NCCC[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000593479350 349278695 /nfs/dbraw/zinc/27/86/95/349278695.db2.gz BGZBVOLAIFBBLZ-UHFFFAOYSA-N 1 0 295.383 2.993 20 5 CFBDRO COc1cccc(NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593481105 349279372 /nfs/dbraw/zinc/27/93/72/349279372.db2.gz VWFVHJYWARDCCU-UHFFFAOYSA-N 1 0 295.383 2.993 20 5 CFBDRO Cc1noc([C@H](C)N(C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037807 349358951 /nfs/dbraw/zinc/35/89/51/349358951.db2.gz SZALNTDREPESCG-JTQLQIEISA-N 1 0 290.323 2.522 20 5 CFBDRO C[C@H](COCC1CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000593682169 349309415 /nfs/dbraw/zinc/30/94/15/349309415.db2.gz PLJGGFNUNDMFPD-SECBINFHSA-N 1 0 270.354 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)CCF)CCCC2 ZINC000593718393 349314761 /nfs/dbraw/zinc/31/47/61/349314761.db2.gz GBZKKTGOLKRPCR-SWLSCSKDSA-N 1 0 296.342 2.672 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000594494999 349429464 /nfs/dbraw/zinc/42/94/64/349429464.db2.gz MTDSXBKSTJBBFJ-ZYHUDNBSSA-N 1 0 296.392 2.977 20 5 CFBDRO Cc1ncncc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594500747 349432411 /nfs/dbraw/zinc/43/24/11/349432411.db2.gz AVJZCSOILCWKEH-JTQLQIEISA-N 1 0 272.308 2.544 20 5 CFBDRO COCCC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000597184355 350047308 /nfs/dbraw/zinc/04/73/08/350047308.db2.gz SLGHNKOOVKGAEA-JYRVWZFOSA-N 1 0 290.363 2.966 20 5 CFBDRO Cc1ccc(C[N@H+](C)CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000597205348 350055124 /nfs/dbraw/zinc/05/51/24/350055124.db2.gz DHYYGDWSGLPJEW-UHFFFAOYSA-N 1 0 276.336 2.682 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC2(COC2)C1 ZINC000597228190 350064021 /nfs/dbraw/zinc/06/40/21/350064021.db2.gz AWLZEDUSANXVNG-NTUHNPAUSA-N 1 0 288.347 2.720 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539689 180000259 /nfs/dbraw/zinc/00/02/59/180000259.db2.gz PALFVURFXUJQQI-BPLDGKMQSA-N 1 0 294.399 2.842 20 5 CFBDRO Cc1cnc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000090692357 180025084 /nfs/dbraw/zinc/02/50/84/180025084.db2.gz JDQUAFMFELNCMB-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)O1 ZINC000414517729 233278458 /nfs/dbraw/zinc/27/84/58/233278458.db2.gz RFRQGWOUPFYFJO-FOGDFJRCSA-N 1 0 282.315 2.637 20 5 CFBDRO CC[C@H](CSC)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091098621 180096648 /nfs/dbraw/zinc/09/66/48/180096648.db2.gz CKUNPICEAVFMQV-OCCSQVGLSA-N 1 0 298.408 2.702 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000271303009 191061459 /nfs/dbraw/zinc/06/14/59/191061459.db2.gz UTZHBQCDDLOCRR-LTVAEWHBSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000091485410 180167143 /nfs/dbraw/zinc/16/71/43/180167143.db2.gz QVVQWWPFMFMRKN-JQWIXIFHSA-N 1 0 261.325 2.632 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+](C)C ZINC000271316665 191068919 /nfs/dbraw/zinc/06/89/19/191068919.db2.gz NSGQCPOTMSQWQN-MRVPVSSYSA-N 1 0 289.282 2.558 20 5 CFBDRO C[NH2+]C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000598633445 350297970 /nfs/dbraw/zinc/29/79/70/350297970.db2.gz NJXORXLHUUQSOK-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO CCOc1cc(NCC2([NH2+]C)CCC2)ccc1[N+](=O)[O-] ZINC000598635088 350298240 /nfs/dbraw/zinc/29/82/40/350298240.db2.gz VHWBMKIDBWIQNS-UHFFFAOYSA-N 1 0 279.340 2.548 20 5 CFBDRO C[NH2+]C1(CNc2cc(C)c([N+](=O)[O-])cc2F)CCC1 ZINC000598633443 350298311 /nfs/dbraw/zinc/29/83/11/350298311.db2.gz NIDMPQHFQVBKCJ-UHFFFAOYSA-N 1 0 267.304 2.596 20 5 CFBDRO C[NH2+]C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000598636592 350298339 /nfs/dbraw/zinc/29/83/39/350298339.db2.gz ZKAACIYNOKNYPW-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000598647279 350301462 /nfs/dbraw/zinc/30/14/62/350301462.db2.gz KJUGEVGRQUCMRJ-SNVBAGLBSA-N 1 0 256.252 2.730 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC2(F)F)c(F)c1 ZINC000598647401 350301478 /nfs/dbraw/zinc/30/14/78/350301478.db2.gz LOEKMCPXOCLGIO-VIFPVBQESA-N 1 0 274.242 2.869 20 5 CFBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598989024 350355065 /nfs/dbraw/zinc/35/50/65/350355065.db2.gz XZTDMSIVKVIKNJ-VWEWAFOGSA-N 1 0 288.347 2.765 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000598998279 350356619 /nfs/dbraw/zinc/35/66/19/350356619.db2.gz DIISGZOTNLNSGG-MRXNPFEDSA-N 1 0 289.379 2.701 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000599017506 350359629 /nfs/dbraw/zinc/35/96/29/350359629.db2.gz ZHVJEDPPVIXVBU-LEMVBVGESA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCCO1 ZINC000599038885 350362776 /nfs/dbraw/zinc/36/27/76/350362776.db2.gz VVASKHYOAMKRCO-LLVKDONJSA-N 1 0 287.319 2.758 20 5 CFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC([C@H]2CCOC2)C1 ZINC000599075896 350371655 /nfs/dbraw/zinc/37/16/55/350371655.db2.gz BCFHYSFJQLUNQL-LBPRGKRZSA-N 1 0 299.330 2.616 20 5 CFBDRO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C[NH+](C)C ZINC000599082119 350372260 /nfs/dbraw/zinc/37/22/60/350372260.db2.gz QNQXSOFYYIEMKP-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599083294 350372712 /nfs/dbraw/zinc/37/27/12/350372712.db2.gz XOKBYOSRWVBLQN-IFUGULHKSA-N 1 0 290.363 2.678 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000599091209 350374037 /nfs/dbraw/zinc/37/40/37/350374037.db2.gz IBYWSOXCRHJLCF-WZRBSPASSA-N 1 0 294.351 2.679 20 5 CFBDRO C[NH+](C)C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599089602 350374251 /nfs/dbraw/zinc/37/42/51/350374251.db2.gz FWIGHOQSJPITQM-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CCC(CC)[NH2+]CCNc1c(F)cccc1[N+](=O)[O-] ZINC000599098879 350376103 /nfs/dbraw/zinc/37/61/03/350376103.db2.gz ZWDYYINPFLZCQJ-UHFFFAOYSA-N 1 0 269.320 2.924 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599139009 350382936 /nfs/dbraw/zinc/38/29/36/350382936.db2.gz MLEDSTUUWMJHPV-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000599139411 350383162 /nfs/dbraw/zinc/38/31/62/350383162.db2.gz NWALNOUJMZPAML-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000599141081 350383508 /nfs/dbraw/zinc/38/35/08/350383508.db2.gz ZLEFWWVJSJRDSN-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000092300740 180358555 /nfs/dbraw/zinc/35/85/55/180358555.db2.gz YJBUXOGCGWANCB-ZDUSSCGKSA-N 1 0 284.315 2.861 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599635059 350469016 /nfs/dbraw/zinc/46/90/16/350469016.db2.gz IBILBJXCTPLFRY-DUVNUKRYSA-N 1 0 290.363 2.750 20 5 CFBDRO COc1ccc(C[NH2+]CCCOCC(C)C)cc1[N+](=O)[O-] ZINC000106466079 186119430 /nfs/dbraw/zinc/11/94/30/186119430.db2.gz WEYWKMRJQIKOOO-UHFFFAOYSA-N 1 0 296.367 2.756 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cnccn1 ZINC000271374778 191105416 /nfs/dbraw/zinc/10/54/16/191105416.db2.gz SBZPPVRVOUEWMN-LBPRGKRZSA-N 1 0 286.335 2.620 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(C2CC2)o1 ZINC000600130673 350517000 /nfs/dbraw/zinc/51/70/00/350517000.db2.gz TUJIAPXKBWKFER-UHFFFAOYSA-N 1 0 287.319 2.793 20 5 CFBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000107904465 186197141 /nfs/dbraw/zinc/19/71/41/186197141.db2.gz KWDCLZPWHHZBOM-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600679683 350596507 /nfs/dbraw/zinc/59/65/07/350596507.db2.gz NHBKVKNTASBSGK-GXTWGEPZSA-N 1 0 291.395 2.948 20 5 CFBDRO C[C@@H]1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[NH2+]1 ZINC000600708226 350598907 /nfs/dbraw/zinc/59/89/07/350598907.db2.gz DQZHWHRAFDXUAV-FFSVYQOJSA-N 1 0 289.379 2.702 20 5 CFBDRO Cc1c([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000600710359 350599249 /nfs/dbraw/zinc/59/92/49/350599249.db2.gz RKUGTPWROPSULM-DOMZBBRYSA-N 1 0 289.379 2.838 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708819 350599304 /nfs/dbraw/zinc/59/93/04/350599304.db2.gz GODQZAQZYZOPAM-SGMGOOAPSA-N 1 0 277.368 2.694 20 5 CFBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600714410 350599843 /nfs/dbraw/zinc/59/98/43/350599843.db2.gz RLMZRYSTFOAZIH-AWEZNQCLSA-N 1 0 297.786 2.678 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000600711536 350599918 /nfs/dbraw/zinc/59/99/18/350599918.db2.gz UWOWIFZAOAKUCM-KWCYVHTRSA-N 1 0 277.368 2.694 20 5 CFBDRO CC[C@@H]1[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000600883438 350622751 /nfs/dbraw/zinc/62/27/51/350622751.db2.gz KWPVRCTYZYXIPN-QWHCGFSZSA-N 1 0 291.351 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc([C@@H]3CC[NH2+]C3)c2)c1 ZINC000600782486 350610933 /nfs/dbraw/zinc/61/09/33/350610933.db2.gz MIAMYFWDFBSFES-CQSZACIVSA-N 1 0 298.342 2.831 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000601139491 350679578 /nfs/dbraw/zinc/67/95/78/350679578.db2.gz DDRWOOUIWIQJSW-ZDUSSCGKSA-N 1 0 266.341 2.544 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000601139594 350679775 /nfs/dbraw/zinc/67/97/75/350679775.db2.gz GOPXWWBKHUDWOL-ZDUSSCGKSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000601149230 350682030 /nfs/dbraw/zinc/68/20/30/350682030.db2.gz HUYRILUVRSJTNF-UHIISALHSA-N 1 0 264.325 2.559 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000601160699 350684919 /nfs/dbraw/zinc/68/49/19/350684919.db2.gz YURPHGWHVFVPOD-NXEZZACHSA-N 1 0 260.215 2.635 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000601160481 350685173 /nfs/dbraw/zinc/68/51/73/350685173.db2.gz WGWPJRDMUSJLMS-NXEZZACHSA-N 1 0 260.215 2.635 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000601174337 350689702 /nfs/dbraw/zinc/68/97/02/350689702.db2.gz UPFUAUXTQCRGER-CQSZACIVSA-N 1 0 286.335 2.724 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000601188614 350692285 /nfs/dbraw/zinc/69/22/85/350692285.db2.gz KSBSDBXSTSHUMQ-JTQLQIEISA-N 1 0 298.774 2.564 20 5 CFBDRO COc1cc(NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000111050122 186347964 /nfs/dbraw/zinc/34/79/64/186347964.db2.gz RNNJADHHSLYYBC-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO COc1cc(N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000111048503 186347985 /nfs/dbraw/zinc/34/79/85/186347985.db2.gz DKXYFSARHHCLDM-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO COc1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000111048724 186348018 /nfs/dbraw/zinc/34/80/18/186348018.db2.gz BMFKOXYEUOHTFY-UHFFFAOYSA-N 1 0 279.340 2.501 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)F ZINC000601287286 350717719 /nfs/dbraw/zinc/71/77/19/350717719.db2.gz GMVGEQQPEPHBEH-SNVBAGLBSA-N 1 0 297.330 2.650 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973116 350821593 /nfs/dbraw/zinc/82/15/93/350821593.db2.gz KVRUBKZMDASRMI-UPJWGTAASA-N 1 0 276.336 2.542 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CC(C)C)OC ZINC000602553611 350922133 /nfs/dbraw/zinc/92/21/33/350922133.db2.gz VOGOEKCTFNPASU-CQSZACIVSA-N 1 0 296.367 2.754 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000602579955 350932495 /nfs/dbraw/zinc/93/24/95/350932495.db2.gz KQKAEOYGBCCHEZ-UHFFFAOYSA-N 1 0 287.319 2.793 20 5 CFBDRO CO[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000602581616 350933673 /nfs/dbraw/zinc/93/36/73/350933673.db2.gz WXELQPSRFVXIJP-HNNXBMFYSA-N 1 0 280.368 2.788 20 5 CFBDRO CO[C@@](C)(C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602440713 350883382 /nfs/dbraw/zinc/88/33/82/350883382.db2.gz SDPVKXASQMSRID-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO CCc1noc(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602676099 350972965 /nfs/dbraw/zinc/97/29/65/350972965.db2.gz RCURZTKNARAXKF-UHFFFAOYSA-N 1 0 289.335 2.786 20 5 CFBDRO CC1(C)CCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602686943 350979323 /nfs/dbraw/zinc/97/93/23/350979323.db2.gz SMCDLNIBILIYLL-UHFFFAOYSA-N 1 0 291.395 2.601 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)nc2c1 ZINC000602693481 350982720 /nfs/dbraw/zinc/98/27/20/350982720.db2.gz RZOZHBDBSKAUPM-ILWJIGKKSA-N 1 0 273.292 2.624 20 5 CFBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602740877 351010145 /nfs/dbraw/zinc/01/01/45/351010145.db2.gz QHBXDZVYNLVHJH-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@]34C[C@H]3CCC4)nc2c1 ZINC000602708125 350991760 /nfs/dbraw/zinc/99/17/60/350991760.db2.gz ZJUZQUPBMNILSK-YMTOWFKASA-N 1 0 273.292 2.768 20 5 CFBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602739934 351010165 /nfs/dbraw/zinc/01/01/65/351010165.db2.gz NHNVITSXJVNHLY-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(Cc3ccco3)C2)cc1 ZINC000602723587 351001135 /nfs/dbraw/zinc/00/11/35/351001135.db2.gz NGTSTNSFCUJDOH-UHFFFAOYSA-N 1 0 286.331 2.905 20 5 CFBDRO COCC1(C2CC2)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602733812 351006558 /nfs/dbraw/zinc/00/65/58/351006558.db2.gz XAPZMYGSSHGYJZ-UHFFFAOYSA-N 1 0 290.363 2.762 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602771605 351020424 /nfs/dbraw/zinc/02/04/24/351020424.db2.gz GAHNZVBXSODMRJ-GHMZBOCLSA-N 1 0 280.372 2.727 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C1CC1)C1CCCC1 ZINC000602778611 351021059 /nfs/dbraw/zinc/02/10/59/351021059.db2.gz ZNZLBZRCEUZBJU-UHFFFAOYSA-N 1 0 278.356 2.507 20 5 CFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776753 351021566 /nfs/dbraw/zinc/02/15/66/351021566.db2.gz DFIJOLUSZUBSTB-AAEUAGOBSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1C(C)C ZINC000602778149 351021658 /nfs/dbraw/zinc/02/16/58/351021658.db2.gz FLVLVOWXCUOCGW-ZDUSSCGKSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000602785231 351024771 /nfs/dbraw/zinc/02/47/71/351024771.db2.gz SNYQUQUASJZOPU-MRVWCRGKSA-N 1 0 292.383 2.753 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000602788851 351026112 /nfs/dbraw/zinc/02/61/12/351026112.db2.gz VVBFGISRJRLGHG-CQSZACIVSA-N 1 0 294.399 2.858 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C1CCCCC1 ZINC000602803406 351031435 /nfs/dbraw/zinc/03/14/35/351031435.db2.gz YZJBBTZQCYIEOL-LLVKDONJSA-N 1 0 280.372 2.658 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000602811145 351035264 /nfs/dbraw/zinc/03/52/64/351035264.db2.gz KLEDBTRXZKAVGL-DGCLKSJQSA-N 1 0 294.399 2.904 20 5 CFBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000602836493 351040767 /nfs/dbraw/zinc/04/07/67/351040767.db2.gz FWCKANQTRHYEPB-WOPDTQHZSA-N 1 0 280.372 2.633 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000602843668 351043334 /nfs/dbraw/zinc/04/33/34/351043334.db2.gz WVEBSJBWQVGPFN-BXUZGUMPSA-N 1 0 280.372 2.658 20 5 CFBDRO CC1(F)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000602742063 351010817 /nfs/dbraw/zinc/01/08/17/351010817.db2.gz KRWRDXDJHLUOSU-UHFFFAOYSA-N 1 0 252.289 2.919 20 5 CFBDRO CCC[C@@H]([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218966 351120420 /nfs/dbraw/zinc/12/04/20/351120420.db2.gz OQTLHKMQEAUPIE-ZYHUDNBSSA-N 1 0 289.339 2.596 20 5 CFBDRO CC(C)SCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962705 351073267 /nfs/dbraw/zinc/07/32/67/351073267.db2.gz NTRSXROVGDDLJS-CQSZACIVSA-N 1 0 298.408 2.534 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC000602997686 351088345 /nfs/dbraw/zinc/08/83/45/351088345.db2.gz OWKIGRCSUPWCIG-JYJNAYRXSA-N 1 0 290.363 2.720 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000603845099 351185444 /nfs/dbraw/zinc/18/54/44/351185444.db2.gz FGBMKAXBOSRRLU-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO O=[N+]([O-])c1ncccc1NCCC[NH2+]C1CCCCC1 ZINC000603847604 351185712 /nfs/dbraw/zinc/18/57/12/351185712.db2.gz CLQGJMHUJVAYOR-UHFFFAOYSA-N 1 0 278.356 2.714 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603859685 351187167 /nfs/dbraw/zinc/18/71/67/351187167.db2.gz RSMKABVWBAOQHI-STQMWFEESA-N 1 0 292.383 2.770 20 5 CFBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000603857952 351187201 /nfs/dbraw/zinc/18/72/01/351187201.db2.gz QLHVCHSHSLHVSN-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)s1 ZINC000604409207 351211305 /nfs/dbraw/zinc/21/13/05/351211305.db2.gz ABEIDBWHUMPKRQ-UHFFFAOYSA-N 1 0 281.381 2.943 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604417844 351211466 /nfs/dbraw/zinc/21/14/66/351211466.db2.gz BLXZITYXPFTVMI-CQSZACIVSA-N 1 0 291.395 2.902 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609385548 351500269 /nfs/dbraw/zinc/50/02/69/351500269.db2.gz ANACHMXOVLVVCL-AWEZNQCLSA-N 1 0 277.368 2.557 20 5 CFBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000608779968 351470759 /nfs/dbraw/zinc/47/07/59/351470759.db2.gz SIZYEJRMTCSNJO-LBPRGKRZSA-N 1 0 264.325 2.706 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000610518224 351576670 /nfs/dbraw/zinc/57/66/70/351576670.db2.gz GSATXEVUGYTEOC-NSHDSACASA-N 1 0 274.324 2.786 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000611179689 351648821 /nfs/dbraw/zinc/64/88/21/351648821.db2.gz HOVBJBCKQHFFFH-NSHDSACASA-N 1 0 270.279 2.724 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCOC2)C2CC2)cc1 ZINC000611211330 351652742 /nfs/dbraw/zinc/65/27/42/351652742.db2.gz SPJIMRPZSPTZCT-AWEZNQCLSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273789 351662525 /nfs/dbraw/zinc/66/25/25/351662525.db2.gz UPMYPPZOUZNCJX-GHMZBOCLSA-N 1 0 292.335 2.596 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611255566 351658486 /nfs/dbraw/zinc/65/84/86/351658486.db2.gz XBNFCJXAOCIBRQ-JTQLQIEISA-N 1 0 292.335 2.596 20 5 CFBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256591 351659173 /nfs/dbraw/zinc/65/91/73/351659173.db2.gz ILEHAXNFQQAFQK-BRLPQQTGSA-N 1 0 290.363 2.966 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000610929231 351622697 /nfs/dbraw/zinc/62/26/97/351622697.db2.gz IOHIGCIZAYMHLD-LLVKDONJSA-N 1 0 298.774 2.610 20 5 CFBDRO COC(=O)CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611409407 351684080 /nfs/dbraw/zinc/68/40/80/351684080.db2.gz VXUCNIILUHMKEG-NSHDSACASA-N 1 0 280.324 2.589 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000611470259 351693798 /nfs/dbraw/zinc/69/37/98/351693798.db2.gz UCLIZGRSUYVTOH-GHMZBOCLSA-N 1 0 296.367 2.804 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cocn1)C1CC1 ZINC000611474386 351694514 /nfs/dbraw/zinc/69/45/14/351694514.db2.gz SACKBKLIOLUQHY-CQSZACIVSA-N 1 0 287.319 2.694 20 5 CFBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000611519599 351703626 /nfs/dbraw/zinc/70/36/26/351703626.db2.gz UFXXXTTXCONGFM-SNVBAGLBSA-N 1 0 274.324 2.520 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273790 351662825 /nfs/dbraw/zinc/66/28/25/351662825.db2.gz UPMYPPZOUZNCJX-MNOVXSKESA-N 1 0 292.335 2.596 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611792872 351740789 /nfs/dbraw/zinc/74/07/89/351740789.db2.gz RKEKUJLBIRALCF-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C(C)C)C2)n1 ZINC000611616176 351714546 /nfs/dbraw/zinc/71/45/46/351714546.db2.gz RZDDMONRISLLJN-CYBMUJFWSA-N 1 0 292.383 2.573 20 5 CFBDRO CCCC[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121537621 186979364 /nfs/dbraw/zinc/97/93/64/186979364.db2.gz XCSQIZANGMGIGS-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123144861 187073969 /nfs/dbraw/zinc/07/39/69/187073969.db2.gz ZQYOUIVFTDJKQP-OCCSQVGLSA-N 1 0 277.368 2.509 20 5 CFBDRO COc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000123008236 187065483 /nfs/dbraw/zinc/06/54/83/187065483.db2.gz VZIFHOUIJUECLU-GHMZBOCLSA-N 1 0 264.325 2.976 20 5 CFBDRO COCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000291763813 198084479 /nfs/dbraw/zinc/08/44/79/198084479.db2.gz RVBDSQTVJQVMQD-UHFFFAOYSA-N 1 0 266.341 2.665 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123341781 187086257 /nfs/dbraw/zinc/08/62/57/187086257.db2.gz QDUKZFUGKQXTJS-IUODEOHRSA-N 1 0 277.368 2.509 20 5 CFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123784341 187108421 /nfs/dbraw/zinc/10/84/21/187108421.db2.gz GLYZMCGFTYGFDK-CZUORRHYSA-N 1 0 292.379 2.763 20 5 CFBDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000271454702 191147271 /nfs/dbraw/zinc/14/72/71/191147271.db2.gz GODREJOMRZTNAA-LDYMZIIASA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1 ZINC000614408605 352090875 /nfs/dbraw/zinc/09/08/75/352090875.db2.gz PZRFSLIRLOZELY-IAQYHMDHSA-N 1 0 276.336 2.767 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000132789209 187647643 /nfs/dbraw/zinc/64/76/43/187647643.db2.gz VSDGBDUMWFWSIH-YPMHNXCESA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000616094646 352283928 /nfs/dbraw/zinc/28/39/28/352283928.db2.gz ODKBBLJBBACYOQ-OBJOEFQTSA-N 1 0 278.352 2.715 20 5 CFBDRO CSCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292043765 198143478 /nfs/dbraw/zinc/14/34/78/198143478.db2.gz ATLBYVSRHXLRIT-UHFFFAOYSA-N 1 0 254.355 2.783 20 5 CFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000134488291 187753284 /nfs/dbraw/zinc/75/32/84/187753284.db2.gz PMFYLVAWXLZZMV-VIFPVBQESA-N 1 0 270.354 2.561 20 5 CFBDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590483 191229506 /nfs/dbraw/zinc/22/95/06/191229506.db2.gz YGVORSXREIBSED-LDYMZIIASA-N 1 0 292.257 2.559 20 5 CFBDRO CSCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618561687 352808525 /nfs/dbraw/zinc/80/85/25/352808525.db2.gz LNOCBMBGAUODHU-CYBMUJFWSA-N 1 0 266.366 2.925 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000619428030 353021664 /nfs/dbraw/zinc/02/16/64/353021664.db2.gz MYSCKTRSISSVDG-HIFRSBDPSA-N 1 0 278.352 2.685 20 5 CFBDRO CC(C)([NH2+]CCOC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000292232079 198210525 /nfs/dbraw/zinc/21/05/25/198210525.db2.gz VVVUDYQCNUKQON-UHFFFAOYSA-N 1 0 278.352 2.989 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152924311 188053584 /nfs/dbraw/zinc/05/35/84/188053584.db2.gz CIYPSWTXFKBNQJ-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000152972490 188057236 /nfs/dbraw/zinc/05/72/36/188057236.db2.gz XYVVEISJVXCSEV-GHMZBOCLSA-N 1 0 252.339 2.888 20 5 CFBDRO COC(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153285881 188074440 /nfs/dbraw/zinc/07/44/40/188074440.db2.gz BFVNRIGDIDLDIF-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000153691048 188098236 /nfs/dbraw/zinc/09/82/36/188098236.db2.gz BYCRLZBNUBFYQA-MRVPVSSYSA-N 1 0 284.747 2.538 20 5 CFBDRO CC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000153723157 188099356 /nfs/dbraw/zinc/09/93/56/188099356.db2.gz WCIPVMYFBSZKBI-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1cc(C)n(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271670705 191268960 /nfs/dbraw/zinc/26/89/60/191268960.db2.gz AXYFRNRLVTZQLZ-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000154213347 188129325 /nfs/dbraw/zinc/12/93/25/188129325.db2.gz GCSZFMRGRXBYME-VXGBXAGGSA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2=CCCOC2)C2CC2)cc1 ZINC000154269503 188132693 /nfs/dbraw/zinc/13/26/93/188132693.db2.gz HKLAYIDDFOENNN-UHFFFAOYSA-N 1 0 288.347 2.906 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000157404632 188315451 /nfs/dbraw/zinc/31/54/51/188315451.db2.gz LQZFKTWLWBGIFI-GFCCVEGCSA-N 1 0 292.364 2.690 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c(F)c1 ZINC000292705997 198383022 /nfs/dbraw/zinc/38/30/22/198383022.db2.gz LFUZTGFAVMQFMS-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO Cc1nc(NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000161528296 188532841 /nfs/dbraw/zinc/53/28/41/188532841.db2.gz HJBOUGLIARBITJ-GFCCVEGCSA-N 1 0 292.383 2.832 20 5 CFBDRO CC(C)[NH2+]C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171692832 188753953 /nfs/dbraw/zinc/75/39/53/188753953.db2.gz VUCOEWLNJDTGKK-UHFFFAOYSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H](CCO)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000271794158 191332617 /nfs/dbraw/zinc/33/26/17/191332617.db2.gz HNZYYMCJZKYKTL-CYBMUJFWSA-N 1 0 292.379 2.873 20 5 CFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1F ZINC000272522108 191768188 /nfs/dbraw/zinc/76/81/88/191768188.db2.gz NWIRCZHHSFJHBE-LLVKDONJSA-N 1 0 295.358 2.900 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568768272 290569824 /nfs/dbraw/zinc/56/98/24/290569824.db2.gz MCWVXEHWWLNTDO-HQQWDMGQSA-N 1 0 290.363 2.985 20 5 CFBDRO CC(C)=CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447599782 535371299 /nfs/dbraw/zinc/37/12/99/535371299.db2.gz KVIPLYUZXILPFY-STQMWFEESA-N 1 0 278.356 2.831 20 5 CFBDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)O ZINC000266051950 283298733 /nfs/dbraw/zinc/29/87/33/283298733.db2.gz ZAKAWKWFRJHGDX-UHFFFAOYSA-N 1 0 272.370 2.639 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294673359 199128990 /nfs/dbraw/zinc/12/89/90/199128990.db2.gz HUPUJUSICHDUAV-PWSUYJOCSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@H](CCCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294744548 199162856 /nfs/dbraw/zinc/16/28/56/199162856.db2.gz HMVCLAKADWSKRB-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO Cc1ccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420275885 236597548 /nfs/dbraw/zinc/59/75/48/236597548.db2.gz HGBDJLLLSFFGJI-NEPJUHHUSA-N 1 0 263.341 2.833 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000294922879 199250486 /nfs/dbraw/zinc/25/04/86/199250486.db2.gz GYCITWIVBHDXBR-NHYWBVRUSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cnc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420627621 236662191 /nfs/dbraw/zinc/66/21/91/236662191.db2.gz NWBQWBSJRRZVOX-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)C1CC1 ZINC000298278241 200380958 /nfs/dbraw/zinc/38/09/58/200380958.db2.gz BCDKGFWQECYVKA-UHFFFAOYSA-N 1 0 264.325 2.976 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCOCC2)cc1[N+](=O)[O-] ZINC000179403861 189191714 /nfs/dbraw/zinc/19/17/14/189191714.db2.gz FKBIEFJMOOATSR-LLVKDONJSA-N 1 0 294.351 2.823 20 5 CFBDRO CCCCOC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443360 189255062 /nfs/dbraw/zinc/25/50/62/189255062.db2.gz UJRVZAUXISALRX-LBPRGKRZSA-N 1 0 294.351 2.979 20 5 CFBDRO C[C@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000118415147 291260760 /nfs/dbraw/zinc/26/07/60/291260760.db2.gz QNUWNWKYEXHBIO-GHMZBOCLSA-N 1 0 266.366 2.921 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000301424566 201004197 /nfs/dbraw/zinc/00/41/97/201004197.db2.gz OOZUUUPPLRLYID-SMDDNHRTSA-N 1 0 295.358 2.900 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301458910 201016595 /nfs/dbraw/zinc/01/65/95/201016595.db2.gz ZNPRPMDWJHMGOH-AAEUAGOBSA-N 1 0 295.358 2.900 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000182329356 189320557 /nfs/dbraw/zinc/32/05/57/189320557.db2.gz AXXCBPNTVVAMBJ-UKRRQHHQSA-N 1 0 278.352 2.950 20 5 CFBDRO COc1cc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301609026 201091863 /nfs/dbraw/zinc/09/18/63/201091863.db2.gz ARENWWXYJKNZNI-UHFFFAOYSA-N 1 0 297.330 2.640 20 5 CFBDRO Cc1cc(C)cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000182876642 189337980 /nfs/dbraw/zinc/33/79/80/189337980.db2.gz TVTWSYJJJMCSAV-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO Cc1cccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1C ZINC000183707180 189366218 /nfs/dbraw/zinc/36/62/18/189366218.db2.gz SSICTZQAEDFFEC-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO O=[N+]([O-])c1ccsc1NCCC[NH+]1CCCCC1 ZINC000301991885 201290734 /nfs/dbraw/zinc/29/07/34/201290734.db2.gz NOITTZLAXDFWKF-UHFFFAOYSA-N 1 0 269.370 2.944 20 5 CFBDRO Cc1nc(NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000302138562 201358996 /nfs/dbraw/zinc/35/89/96/201358996.db2.gz CLKKSUSCQUWDQV-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426526520 239237230 /nfs/dbraw/zinc/23/72/30/239237230.db2.gz TXBRJPSYSBQSSZ-IUODEOHRSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000302184431 201386750 /nfs/dbraw/zinc/38/67/50/201386750.db2.gz SVLSUHARYBDFHL-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000186969273 189455318 /nfs/dbraw/zinc/45/53/18/189455318.db2.gz OSFCCROGRURZOA-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000275241075 192972671 /nfs/dbraw/zinc/97/26/71/192972671.db2.gz OLBSKBJXNBGMQY-OCCSQVGLSA-N 1 0 294.351 2.521 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000436412108 240442800 /nfs/dbraw/zinc/44/28/00/240442800.db2.gz MTDVEIGRQBRYES-KOLCDFICSA-N 1 0 280.324 2.587 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)CC1([NH+](C)C)CCC1 ZINC000275371756 193014058 /nfs/dbraw/zinc/01/40/58/193014058.db2.gz ACPNJHHPKVBVEY-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCC1 ZINC000275470221 193051174 /nfs/dbraw/zinc/05/11/74/193051174.db2.gz NVAJDRAMRQYDRR-UHFFFAOYSA-N 1 0 293.367 2.637 20 5 CFBDRO CC1(C)CCC[N@H+](CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000444010523 241109450 /nfs/dbraw/zinc/10/94/50/241109450.db2.gz GWTSYBNNOKTWKI-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO CSCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538561 241380115 /nfs/dbraw/zinc/38/01/15/241380115.db2.gz CAHUAROPIVGARG-RYUDHWBXSA-N 1 0 298.412 2.618 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccoc2)n1 ZINC000447542571 241383260 /nfs/dbraw/zinc/38/32/60/241383260.db2.gz PLTBIGTUIACDJK-CHWSQXEVSA-N 1 0 290.323 2.658 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599605 241391384 /nfs/dbraw/zinc/39/13/84/241391384.db2.gz KSFBXGKIDFNVIX-UGQNZJGRSA-N 1 0 290.363 2.889 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449145489 241723395 /nfs/dbraw/zinc/72/33/95/241723395.db2.gz LKVJIDZSTQYAKF-WFASDCNBSA-N 1 0 280.368 2.667 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cs1 ZINC000449552885 242025263 /nfs/dbraw/zinc/02/52/63/242025263.db2.gz KGOQTCMFTKZVIP-FRRDWIJNSA-N 1 0 296.392 2.639 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000449779671 242156558 /nfs/dbraw/zinc/15/65/58/242156558.db2.gz DKOMUZHHIPKXLA-UHFFFAOYSA-N 1 0 295.358 2.698 20 5 CFBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451293513 242794320 /nfs/dbraw/zinc/79/43/20/242794320.db2.gz VVGBDUNUHCZNHI-CQSZACIVSA-N 1 0 280.372 2.692 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000452034168 243016835 /nfs/dbraw/zinc/01/68/35/243016835.db2.gz DQDRYAZFHIWKJR-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452075117 243036121 /nfs/dbraw/zinc/03/61/21/243036121.db2.gz HWKUGNHWULDLNC-NSHDSACASA-N 1 0 280.372 2.586 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330691290 203121127 /nfs/dbraw/zinc/12/11/27/203121127.db2.gz BCJICWUEUQNCJX-HUUCEWRRSA-N 1 0 292.379 2.824 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920654 203389914 /nfs/dbraw/zinc/38/99/14/203389914.db2.gz ZUJSQCKYIRPBSA-TZMCWYRMSA-N 1 0 278.352 2.578 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000276902853 193494638 /nfs/dbraw/zinc/49/46/38/193494638.db2.gz DNEWZDYOSJZOTD-CABCVRRESA-N 1 0 294.351 2.521 20 5 CFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268340155 284234870 /nfs/dbraw/zinc/23/48/70/284234870.db2.gz KXVNYOAEXWTQBC-NHYWBVRUSA-N 1 0 292.335 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC4(CCC4)C3)nc2c1 ZINC000459518391 245207313 /nfs/dbraw/zinc/20/73/13/245207313.db2.gz XJOSKVJNEPXVBV-UHFFFAOYSA-N 1 0 286.335 2.893 20 5 CFBDRO Cc1ncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000459678585 245270718 /nfs/dbraw/zinc/27/07/18/245270718.db2.gz RKNDUTJWHYCELP-JTQLQIEISA-N 1 0 275.308 2.612 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459767976 245313182 /nfs/dbraw/zinc/31/31/82/245313182.db2.gz FTAKEJNFZARBOM-BYCMXARLSA-N 1 0 276.336 2.752 20 5 CFBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCC1 ZINC000015376657 372084043 /nfs/dbraw/zinc/08/40/43/372084043.db2.gz QOCVAWWAUAPXDX-JTQLQIEISA-N 1 0 288.307 2.802 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092283 372228315 /nfs/dbraw/zinc/22/83/15/372228315.db2.gz ARGMQULRHGPWNU-GFCCVEGCSA-N 1 0 266.341 2.980 20 5 CFBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034993931 372524941 /nfs/dbraw/zinc/52/49/41/372524941.db2.gz IETPGFHYHSFBHB-UHFFFAOYSA-N 1 0 263.341 2.880 20 5 CFBDRO CCCNC(=O)C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000036780819 372592464 /nfs/dbraw/zinc/59/24/64/372592464.db2.gz MWKOWLVOCRYUBJ-CQSZACIVSA-N 1 0 293.367 2.552 20 5 CFBDRO CCC[C@H]([NH2+][C@H](C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000036794664 372596276 /nfs/dbraw/zinc/59/62/76/372596276.db2.gz PSRXKWJLVYSWCO-RISCZKNCSA-N 1 0 293.367 2.550 20 5 CFBDRO CC[C@H]([NH2+]CCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000037010554 372627200 /nfs/dbraw/zinc/62/72/00/372627200.db2.gz QLVHDWSXVBOIIQ-HNNXBMFYSA-N 1 0 296.367 2.689 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037157503 372659655 /nfs/dbraw/zinc/65/96/55/372659655.db2.gz ZJXJEHPKNMFILA-DOMZBBRYSA-N 1 0 288.351 2.921 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000037156968 372660089 /nfs/dbraw/zinc/66/00/89/372660089.db2.gz UHPFTLGXYYASTJ-OLZOCXBDSA-N 1 0 288.351 2.839 20 5 CFBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668318 372689051 /nfs/dbraw/zinc/68/90/51/372689051.db2.gz CODQIVRUPYTGAP-LLVKDONJSA-N 1 0 266.341 2.888 20 5 CFBDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775715 372706250 /nfs/dbraw/zinc/70/62/50/372706250.db2.gz FTTYLKIONMEFGF-SNVBAGLBSA-N 1 0 288.351 2.796 20 5 CFBDRO C[C@H](CNCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000037997554 372755847 /nfs/dbraw/zinc/75/58/47/372755847.db2.gz HIYZZTMGAQHKLI-CQSZACIVSA-N 1 0 291.395 2.806 20 5 CFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038013961 372767961 /nfs/dbraw/zinc/76/79/61/372767961.db2.gz WLRWOGFVMUNHEX-NEPJUHHUSA-N 1 0 293.367 2.550 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC3)cs2)c1 ZINC000040999742 372802822 /nfs/dbraw/zinc/80/28/22/372802822.db2.gz YCTFGJLKGWFLGX-UHFFFAOYSA-N 1 0 275.333 2.970 20 5 CFBDRO CC[C@H]([NH2+]CCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041119302 372817178 /nfs/dbraw/zinc/81/71/78/372817178.db2.gz JMOHGPRWJAKNRA-AWEZNQCLSA-N 1 0 274.324 2.532 20 5 CFBDRO CCCCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000042359726 372913868 /nfs/dbraw/zinc/91/38/68/372913868.db2.gz JJJDHSHBUBWLDC-UHFFFAOYSA-N 1 0 252.314 2.501 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000042814937 372958191 /nfs/dbraw/zinc/95/81/91/372958191.db2.gz FBGTTWVFOYBXMY-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000289789497 197484546 /nfs/dbraw/zinc/48/45/46/197484546.db2.gz NBZHYVHNWAOOMO-LLVKDONJSA-N 1 0 274.324 2.520 20 5 CFBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000047611258 373108155 /nfs/dbraw/zinc/10/81/55/373108155.db2.gz IALPCJLMMRPUHZ-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO COc1ccc(C[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000047721347 373116225 /nfs/dbraw/zinc/11/62/25/373116225.db2.gz LBHKAHBBHMFJNX-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000048261619 373156524 /nfs/dbraw/zinc/15/65/24/373156524.db2.gz ABLCQVXSAJDYRW-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(O)cc1 ZINC000048068881 373143495 /nfs/dbraw/zinc/14/34/95/373143495.db2.gz DUTKJHXZWRZSIL-UHFFFAOYSA-N 1 0 258.277 2.590 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000049558749 373310421 /nfs/dbraw/zinc/31/04/21/373310421.db2.gz LHVVPDOVNDRJND-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO CCOC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963787 373336828 /nfs/dbraw/zinc/33/68/28/373336828.db2.gz KFZVRSPNKKPGMQ-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000049963782 373337225 /nfs/dbraw/zinc/33/72/25/373337225.db2.gz DNPMSRRZSPHBSO-LLVKDONJSA-N 1 0 295.770 2.575 20 5 CFBDRO CCN(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054110069 373497088 /nfs/dbraw/zinc/49/70/88/373497088.db2.gz NUJJYOCDXJEOHS-LBPRGKRZSA-N 1 0 265.357 2.506 20 5 CFBDRO C[N@H+](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000062010327 373742716 /nfs/dbraw/zinc/74/27/16/373742716.db2.gz IFYHPSYNDWQGRW-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[N@H+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000062010321 373743719 /nfs/dbraw/zinc/74/37/19/373743719.db2.gz MQODJAGCUYCLTM-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000063000089 373778860 /nfs/dbraw/zinc/77/88/60/373778860.db2.gz GDMNUSZZAGTIFD-HNNXBMFYSA-N 1 0 286.331 2.726 20 5 CFBDRO C[C@H]([NH2+]CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000063133614 373787023 /nfs/dbraw/zinc/78/70/23/373787023.db2.gz BNFQYWKKOFMDTH-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO COc1ccc(C[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000065961443 373907400 /nfs/dbraw/zinc/90/74/00/373907400.db2.gz HEAUEXFBZGWKBK-UHFFFAOYSA-N 1 0 252.314 2.691 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000068451021 374029968 /nfs/dbraw/zinc/02/99/68/374029968.db2.gz OMJAFIGAODTECN-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000264102490 383696968 /nfs/dbraw/zinc/69/69/68/383696968.db2.gz RWOMREDYCQLJSS-UHFFFAOYSA-N 1 0 266.341 2.576 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC1 ZINC000072721837 374280471 /nfs/dbraw/zinc/28/04/71/374280471.db2.gz SOOGOQNSORMCSB-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CC1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072827316 374289468 /nfs/dbraw/zinc/28/94/68/374289468.db2.gz KQQIDKKFRVNTBS-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000072926605 374302105 /nfs/dbraw/zinc/30/21/05/374302105.db2.gz VGXWVUPOWBVGTB-ZFWWWQNUSA-N 1 0 278.352 2.888 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H](C)O ZINC000075783462 374503936 /nfs/dbraw/zinc/50/39/36/374503936.db2.gz VGVPBGBXOKMGRX-GFCCVEGCSA-N 1 0 296.367 2.585 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079735434 374628494 /nfs/dbraw/zinc/62/84/94/374628494.db2.gz BMIQOTVZIGUFCD-WCQYABFASA-N 1 0 266.341 2.979 20 5 CFBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000081275227 374691374 /nfs/dbraw/zinc/69/13/74/374691374.db2.gz JOGBLRDVZOBNJG-GFCCVEGCSA-N 1 0 292.383 2.832 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CCOCC1 ZINC000084440005 374776699 /nfs/dbraw/zinc/77/66/99/374776699.db2.gz QKAFYADUQOAQOX-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089513443 374917125 /nfs/dbraw/zinc/91/71/25/374917125.db2.gz AORPVRQVEXLMAA-AWEZNQCLSA-N 1 0 274.324 2.569 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090794523 375027728 /nfs/dbraw/zinc/02/77/28/375027728.db2.gz GMLKHWKHJUYTHL-NWDGAFQWSA-N 1 0 291.351 2.642 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795054 375030402 /nfs/dbraw/zinc/03/04/02/375030402.db2.gz HLNNMJNZIGMOHN-MWLCHTKSSA-N 1 0 267.304 2.629 20 5 CFBDRO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672425 375137746 /nfs/dbraw/zinc/13/77/46/375137746.db2.gz FQADMQIJJVVPTD-YPMHNXCESA-N 1 0 275.352 2.940 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093770197 375309719 /nfs/dbraw/zinc/30/97/19/375309719.db2.gz IZCYTAVKVGLJLG-HNNXBMFYSA-N 1 0 291.395 2.677 20 5 CFBDRO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093516243 375261597 /nfs/dbraw/zinc/26/15/97/375261597.db2.gz WNPUEFTYCPTOJS-UKRRQHHQSA-N 1 0 291.395 2.995 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000102409722 375672756 /nfs/dbraw/zinc/67/27/56/375672756.db2.gz ZICWTQKCRFSKGU-HNNXBMFYSA-N 1 0 286.335 2.628 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000121225582 376785555 /nfs/dbraw/zinc/78/55/55/376785555.db2.gz NALFTLNTSQOKAP-NSHDSACASA-N 1 0 299.330 2.545 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000451816135 383715290 /nfs/dbraw/zinc/71/52/90/383715290.db2.gz YIMBDRDBIXBEPQ-BXUZGUMPSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H]1C[C@@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000121738915 376896192 /nfs/dbraw/zinc/89/61/92/376896192.db2.gz PXXWBEJQFBSEAQ-UWVGGRQHSA-N 1 0 299.321 2.792 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000123584774 376959412 /nfs/dbraw/zinc/95/94/12/376959412.db2.gz UOOIXYIDUBHKOG-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124057142 377012164 /nfs/dbraw/zinc/01/21/64/377012164.db2.gz KSDSFXWBIIFGHM-GHMZBOCLSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000133504021 377935497 /nfs/dbraw/zinc/93/54/97/377935497.db2.gz QVBCCFYTFRGXFT-IUCAKERBSA-N 1 0 296.758 2.680 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCn1cccn1 ZINC000134729130 378045544 /nfs/dbraw/zinc/04/55/44/378045544.db2.gz WVZSDPTWKDBJQI-UHFFFAOYSA-N 1 0 294.742 2.625 20 5 CFBDRO CCOc1cccc(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000134913237 378061606 /nfs/dbraw/zinc/06/16/06/378061606.db2.gz COFLJQQZAVCSAY-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO COc1cccc(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000134917977 378063828 /nfs/dbraw/zinc/06/38/28/378063828.db2.gz ZHGJNFGQQZNEPN-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152733263 378442922 /nfs/dbraw/zinc/44/29/22/378442922.db2.gz JZHVLWLSNSCYEL-PWSUYJOCSA-N 1 0 266.341 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152903921 378457895 /nfs/dbraw/zinc/45/78/95/378457895.db2.gz MPKYGRLYYOCZCI-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO CCC1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331036322 378618590 /nfs/dbraw/zinc/61/85/90/378618590.db2.gz BFFOTQUKPOXBGQ-UHFFFAOYSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@@]1(C)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331046825 378621134 /nfs/dbraw/zinc/62/11/34/378621134.db2.gz GIDXOBGUJDKCOR-AWEZNQCLSA-N 1 0 280.372 2.731 20 5 CFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281857 378663910 /nfs/dbraw/zinc/66/39/10/378663910.db2.gz ITLKHUCSXZOSKX-JRPNMDOOSA-N 1 0 296.342 2.715 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158715721 378672036 /nfs/dbraw/zinc/67/20/36/378672036.db2.gz FGGCSQXOBILHOT-DOMZBBRYSA-N 1 0 278.352 2.720 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000159238731 378696138 /nfs/dbraw/zinc/69/61/38/378696138.db2.gz NKPSWBHZLNIQLP-RISCZKNCSA-N 1 0 278.352 2.639 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332209194 378735018 /nfs/dbraw/zinc/73/50/18/378735018.db2.gz JHXVCGBXVUSOKA-ZOBORPQBSA-N 1 0 290.363 2.749 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000161293399 378837450 /nfs/dbraw/zinc/83/74/50/378837450.db2.gz WYPMLFLCJIQVIP-CYBMUJFWSA-N 1 0 292.383 2.770 20 5 CFBDRO C[C@H](O)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000278614960 194069679 /nfs/dbraw/zinc/06/96/79/194069679.db2.gz BUMFYQXQCRYCFQ-SWLSCSKDSA-N 1 0 292.379 2.667 20 5 CFBDRO CCC[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278602448 194064656 /nfs/dbraw/zinc/06/46/56/194064656.db2.gz FVTOFAAQJAAJNB-SNVBAGLBSA-N 1 0 276.340 2.997 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCCC3)nc2c1 ZINC000278604920 194065056 /nfs/dbraw/zinc/06/50/56/194065056.db2.gz FYYXIYVHQFCYMT-UHFFFAOYSA-N 1 0 260.297 2.503 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000165261200 379035276 /nfs/dbraw/zinc/03/52/76/379035276.db2.gz YDTQRCDTWANFJR-LNSITVRQSA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000278693351 194105875 /nfs/dbraw/zinc/10/58/75/194105875.db2.gz JHLQRSZQTIBDRD-SWLSCSKDSA-N 1 0 294.351 2.789 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000168946236 379100839 /nfs/dbraw/zinc/10/08/39/379100839.db2.gz MWZNZCAUJOYOTP-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO C[NH2+]CCSCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000571878639 383735117 /nfs/dbraw/zinc/73/51/17/383735117.db2.gz JKQYCNPCPJQYJN-UHFFFAOYSA-N 1 0 284.381 2.835 20 5 CFBDRO COC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172075723 379486463 /nfs/dbraw/zinc/48/64/63/379486463.db2.gz XXIAYKDSQSCVMZ-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000173324847 379726536 /nfs/dbraw/zinc/72/65/36/379726536.db2.gz MAVIJIITCJZVOB-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC000173419573 379736619 /nfs/dbraw/zinc/73/66/19/379736619.db2.gz HRXOBZSYZABCPW-VKKKGTNTSA-N 1 0 262.309 2.565 20 5 CFBDRO C[C@@H](c1cccs1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174822074 379946955 /nfs/dbraw/zinc/94/69/55/379946955.db2.gz IMCIFCSUNOUHBR-JTQLQIEISA-N 1 0 280.353 2.546 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000177873747 380389208 /nfs/dbraw/zinc/38/92/08/380389208.db2.gz HNYMPWZFXUWWIZ-NWDGAFQWSA-N 1 0 264.325 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000177986585 380399828 /nfs/dbraw/zinc/39/98/28/380399828.db2.gz JQKJOKMGTXOKLY-ABAIWWIYSA-N 1 0 294.326 2.735 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1OCC[NH+]1CCCCC1 ZINC000178989198 380498217 /nfs/dbraw/zinc/49/82/17/380498217.db2.gz VYFKPXTXKUCTDZ-UHFFFAOYSA-N 1 0 264.325 2.768 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCSC2)c(F)c1 ZINC000336791839 380639375 /nfs/dbraw/zinc/63/93/75/380639375.db2.gz PGOCREGNQOLMJW-VIFPVBQESA-N 1 0 270.329 2.577 20 5 CFBDRO C[C@H]1CCSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000279167549 194313681 /nfs/dbraw/zinc/31/36/81/194313681.db2.gz BROOMBGXCDPRJM-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO CC[C@@H]([NH2+]CCC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181548194 380823005 /nfs/dbraw/zinc/82/30/05/380823005.db2.gz RVTIRRDKGUDJLR-CQSZACIVSA-N 1 0 293.367 2.504 20 5 CFBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000287546495 380861263 /nfs/dbraw/zinc/86/12/63/380861263.db2.gz WDPYVBHDBDGCME-SNVBAGLBSA-N 1 0 286.759 2.841 20 5 CFBDRO Cc1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402107962 380882832 /nfs/dbraw/zinc/88/28/32/380882832.db2.gz YDBZZUCCTZZKRH-ZDUSSCGKSA-N 1 0 278.352 2.810 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000341282761 380899299 /nfs/dbraw/zinc/89/92/99/380899299.db2.gz OGDVDQUXQQUVDJ-UTUOFQBUSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000353849868 380900455 /nfs/dbraw/zinc/90/04/55/380900455.db2.gz KYBARHSZOVLHBM-AAEUAGOBSA-N 1 0 278.352 2.572 20 5 CFBDRO CCCN(Cc1csc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000347051881 380905276 /nfs/dbraw/zinc/90/52/76/380905276.db2.gz RSRAJHHWQAMPAM-UHFFFAOYSA-N 1 0 283.397 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)C1CC1)CCC2 ZINC000353862758 380912160 /nfs/dbraw/zinc/91/21/60/380912160.db2.gz TVWOFTVPYXQBSN-CZUORRHYSA-N 1 0 290.363 2.580 20 5 CFBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000368076341 380912611 /nfs/dbraw/zinc/91/26/11/380912611.db2.gz UQNWRBQPZSTYRP-HNNXBMFYSA-N 1 0 296.342 2.574 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000287842851 380954575 /nfs/dbraw/zinc/95/45/75/380954575.db2.gz QTPGEJSYGHNFGU-NSHDSACASA-N 1 0 296.342 2.859 20 5 CFBDRO CC(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182028053 380969593 /nfs/dbraw/zinc/96/95/93/380969593.db2.gz WDRVETHTDREAJM-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H]([NH2+]CCCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000182144102 381001258 /nfs/dbraw/zinc/00/12/58/381001258.db2.gz CHHPXIGORHBTMB-GFCCVEGCSA-N 1 0 266.341 2.798 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000412015890 381090505 /nfs/dbraw/zinc/09/05/05/381090505.db2.gz ARHXCLJGSLKAPJ-LBPRGKRZSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[N@H+](CCCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347360743 381097128 /nfs/dbraw/zinc/09/71/28/381097128.db2.gz OEILYOOKLHCFDB-RAXLEYEMSA-N 1 0 278.352 2.702 20 5 CFBDRO COC1([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412023286 381097883 /nfs/dbraw/zinc/09/78/83/381097883.db2.gz XGPWUVQBRPUWIG-LBPRGKRZSA-N 1 0 294.351 2.521 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412023248 381098107 /nfs/dbraw/zinc/09/81/07/381098107.db2.gz WWEQJQVKROQQRD-NSHDSACASA-N 1 0 264.325 2.642 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000412025438 381100264 /nfs/dbraw/zinc/10/02/64/381100264.db2.gz QBHQBKKKMUIMTR-SECBINFHSA-N 1 0 270.354 2.704 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000347375711 381107681 /nfs/dbraw/zinc/10/76/81/381107681.db2.gz KFVBVTLDRUAMRG-QFGWSVGLSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000295843609 381111672 /nfs/dbraw/zinc/11/16/72/381111672.db2.gz ZUBAFFXQESEDMB-ZDUSSCGKSA-N 1 0 296.367 2.585 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279348894 194394713 /nfs/dbraw/zinc/39/47/13/194394713.db2.gz VJBOHKONCFULSH-NEPJUHHUSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc(C[N@@H+](CC2CCC2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000289637327 381078577 /nfs/dbraw/zinc/07/85/77/381078577.db2.gz XIEJYTJSOMLLFH-CYBMUJFWSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000289779383 381152449 /nfs/dbraw/zinc/15/24/49/381152449.db2.gz KJIYBHLFMCWHFC-LLVKDONJSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279348899 194395510 /nfs/dbraw/zinc/39/55/10/194395510.db2.gz VJBOHKONCFULSH-NWDGAFQWSA-N 1 0 291.351 2.702 20 5 CFBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018267 381213714 /nfs/dbraw/zinc/21/37/14/381213714.db2.gz RQXAZTQGMADGAC-BPZRQAJTSA-N 1 0 289.379 2.871 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000359086577 381257702 /nfs/dbraw/zinc/25/77/02/381257702.db2.gz VQUVWNBZMNEIMU-CHWSQXEVSA-N 1 0 292.383 2.891 20 5 CFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000183181246 381229560 /nfs/dbraw/zinc/22/95/60/381229560.db2.gz VBXRRTJXZKRHND-GFCCVEGCSA-N 1 0 294.351 2.677 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000183252687 381243059 /nfs/dbraw/zinc/24/30/59/381243059.db2.gz YGZQSDITGIYMON-UHFFFAOYSA-N 1 0 280.368 2.888 20 5 CFBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000347676245 381290943 /nfs/dbraw/zinc/29/09/43/381290943.db2.gz PRGXNDVSIUCULL-RYUDHWBXSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1 ZINC000347676248 381291247 /nfs/dbraw/zinc/29/12/47/381291247.db2.gz PRGXNDVSIUCULL-VXGBXAGGSA-N 1 0 288.351 2.610 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290093503 381296485 /nfs/dbraw/zinc/29/64/85/381296485.db2.gz HNPQVJPLKRCFCN-OLZOCXBDSA-N 1 0 279.384 2.974 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000290105364 381301902 /nfs/dbraw/zinc/30/19/02/381301902.db2.gz HWGKFXPBJXNIDY-MRXNPFEDSA-N 1 0 292.379 2.888 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000359111397 381272521 /nfs/dbraw/zinc/27/25/21/381272521.db2.gz BIWJECZQDQXIJB-QMMMGPOBSA-N 1 0 262.231 2.883 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000342314704 381274499 /nfs/dbraw/zinc/27/44/99/381274499.db2.gz YMYXFKMMFXIOCV-RYUDHWBXSA-N 1 0 282.315 2.974 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000290199103 381338979 /nfs/dbraw/zinc/33/89/79/381338979.db2.gz OYZKZRWHKAENDP-ZWNOBZJWSA-N 1 0 252.314 2.670 20 5 CFBDRO COc1ccc(C[NH2+]CCSC(C)C)cc1[N+](=O)[O-] ZINC000290206191 381340541 /nfs/dbraw/zinc/34/05/41/381340541.db2.gz VFGYRYVKDWLVLY-UHFFFAOYSA-N 1 0 284.381 2.835 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000370044962 381372214 /nfs/dbraw/zinc/37/22/14/381372214.db2.gz ITCGOYAZZOGWBH-ZDUSSCGKSA-N 1 0 292.383 2.873 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000370055834 381375826 /nfs/dbraw/zinc/37/58/26/381375826.db2.gz NHIFTOJSANYIOQ-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1cc(CNC2CC([NH+]3CCCCC3)C2)cs1 ZINC000370134457 381388940 /nfs/dbraw/zinc/38/89/40/381388940.db2.gz XJFFDACNVPEKCV-UHFFFAOYSA-N 1 0 295.408 2.763 20 5 CFBDRO C[C@@H]1COCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370181544 381399989 /nfs/dbraw/zinc/39/99/89/381399989.db2.gz GYYRECARWJVTKP-BPJJOFIESA-N 1 0 276.336 2.576 20 5 CFBDRO C[C@H](O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000354736809 381429754 /nfs/dbraw/zinc/42/97/54/381429754.db2.gz RMXWQXPCLPBTAZ-LBPRGKRZSA-N 1 0 278.352 2.720 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000290453269 381435455 /nfs/dbraw/zinc/43/54/55/381435455.db2.gz BVHJZFOZBOQKAS-SNVBAGLBSA-N 1 0 299.396 2.507 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000342679754 381474201 /nfs/dbraw/zinc/47/42/01/381474201.db2.gz FWIBDSLASZKVAU-HNNXBMFYSA-N 1 0 277.368 2.509 20 5 CFBDRO CCC1([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296624368 381477919 /nfs/dbraw/zinc/47/79/19/381477919.db2.gz XBTZIWYRGMXRQN-NSHDSACASA-N 1 0 291.351 2.844 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000290643664 381507781 /nfs/dbraw/zinc/50/77/81/381507781.db2.gz YPPSOJJINDTYKG-OAHLLOKOSA-N 1 0 280.368 2.742 20 5 CFBDRO CCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185147399 381544867 /nfs/dbraw/zinc/54/48/67/381544867.db2.gz AFJDEVPHZFVJST-UHFFFAOYSA-N 1 0 297.330 2.794 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185232310 381572698 /nfs/dbraw/zinc/57/26/98/381572698.db2.gz KCQYOHRCEJKZMG-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290802081 381557184 /nfs/dbraw/zinc/55/71/84/381557184.db2.gz FJFGMXHTHZUDTI-AWEZNQCLSA-N 1 0 296.342 2.621 20 5 CFBDRO COCc1ccc(CNCc2cccc([N+](=O)[O-])c2C)o1 ZINC000359811521 381620735 /nfs/dbraw/zinc/62/07/35/381620735.db2.gz FOZBWXXWQVTQAS-UHFFFAOYSA-N 1 0 290.319 2.932 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298441434 381627795 /nfs/dbraw/zinc/62/77/95/381627795.db2.gz RFAKGUPBCIIWQV-NSHDSACASA-N 1 0 294.351 2.938 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414952622 381645676 /nfs/dbraw/zinc/64/56/76/381645676.db2.gz KSJJCRWPFBJLQE-IUODEOHRSA-N 1 0 291.395 2.948 20 5 CFBDRO COc1cccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000185524523 381655986 /nfs/dbraw/zinc/65/59/86/381655986.db2.gz OFVJHIYHDRUCGH-NWDGAFQWSA-N 1 0 293.367 2.888 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348676752 381665128 /nfs/dbraw/zinc/66/51/28/381665128.db2.gz SPPAEJPHDHUEDB-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616585 381683382 /nfs/dbraw/zinc/68/33/82/381683382.db2.gz QTWZJDPDHPYJRR-WCQYABFASA-N 1 0 291.351 2.654 20 5 CFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCOC1 ZINC000298747330 381735220 /nfs/dbraw/zinc/73/52/20/381735220.db2.gz ZZAMRUIXKCZZIF-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000343477869 381741423 /nfs/dbraw/zinc/74/14/23/381741423.db2.gz PAXVWUYMROTXAX-NWDGAFQWSA-N 1 0 278.356 2.501 20 5 CFBDRO C[C@H]1[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343456849 381724124 /nfs/dbraw/zinc/72/41/24/381724124.db2.gz JZRPTNZJJUWTDR-WPRPVWTQSA-N 1 0 284.747 2.538 20 5 CFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292244323 381796211 /nfs/dbraw/zinc/79/62/11/381796211.db2.gz JRZAGWZOEANPIT-AWEZNQCLSA-N 1 0 295.770 2.780 20 5 CFBDRO C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000415128971 381797644 /nfs/dbraw/zinc/79/76/44/381797644.db2.gz OZAVTSLIQZKFES-HNLSUCLVSA-N 1 0 289.379 2.525 20 5 CFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335001 381761493 /nfs/dbraw/zinc/76/14/93/381761493.db2.gz NFKVBEFMCUQMSZ-NEPJUHHUSA-N 1 0 280.372 2.729 20 5 CFBDRO CC(C)CN(CC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000348933687 381770281 /nfs/dbraw/zinc/77/02/81/381770281.db2.gz JZXWMOCTBLMQKW-UHFFFAOYSA-N 1 0 279.384 2.614 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360209189 381770399 /nfs/dbraw/zinc/77/03/99/381770399.db2.gz OYMJQWIXPDFCQQ-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC3(C2)CCCC3)c1 ZINC000372494345 381824516 /nfs/dbraw/zinc/82/45/16/381824516.db2.gz XKOCNJUCGPSYAJ-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO COc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000343609326 381838536 /nfs/dbraw/zinc/83/85/36/381838536.db2.gz RSBDYFYEIKLGMW-GXSJLCMTSA-N 1 0 297.330 2.637 20 5 CFBDRO Cc1cc(NC(=O)N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000415420508 381843175 /nfs/dbraw/zinc/84/31/75/381843175.db2.gz SQBYZRGPNWJNKI-NSHDSACASA-N 1 0 294.355 2.542 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000299080242 381818292 /nfs/dbraw/zinc/81/82/92/381818292.db2.gz HSRKZSXAHAIOAT-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000292882163 381882010 /nfs/dbraw/zinc/88/20/10/381882010.db2.gz CBTHHIMWDAAHRN-WFASDCNBSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000292882155 381882158 /nfs/dbraw/zinc/88/21/58/381882158.db2.gz CBTHHIMWDAAHRN-DOMZBBRYSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)O ZINC000349210127 381848821 /nfs/dbraw/zinc/84/88/21/381848821.db2.gz RTQMBXSGHLWBRT-VXGBXAGGSA-N 1 0 298.408 2.826 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415510175 381850797 /nfs/dbraw/zinc/85/07/97/381850797.db2.gz YHZQQUPXWNDVEU-LLVKDONJSA-N 1 0 294.355 2.542 20 5 CFBDRO CCC[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000299341847 381903547 /nfs/dbraw/zinc/90/35/47/381903547.db2.gz FFUBVNSWBVJZRT-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000292925293 381906109 /nfs/dbraw/zinc/90/61/09/381906109.db2.gz IPRVZRAEMHTZAC-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO CCC[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000299390802 381921798 /nfs/dbraw/zinc/92/17/98/381921798.db2.gz RFLRGOJMFJAFMM-UHFFFAOYSA-N 1 0 299.758 2.919 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186499777 381928120 /nfs/dbraw/zinc/92/81/20/381928120.db2.gz DIOLEJPDIXIKLT-ZWYFHCDOSA-N 1 0 278.352 2.881 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000356894668 381890996 /nfs/dbraw/zinc/89/09/96/381890996.db2.gz JKSWDECZUZDLCS-TZMCWYRMSA-N 1 0 278.352 2.542 20 5 CFBDRO CCN(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000343781278 381939373 /nfs/dbraw/zinc/93/93/73/381939373.db2.gz ABSYSDJRLCLCBC-UHFFFAOYSA-N 1 0 298.412 2.754 20 5 CFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000343872942 381996675 /nfs/dbraw/zinc/99/66/75/381996675.db2.gz MEUZTMCOEFCJTK-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293126041 381999904 /nfs/dbraw/zinc/99/99/04/381999904.db2.gz MQADMYBACYHJQV-TZMCWYRMSA-N 1 0 278.352 2.811 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000373442168 382005260 /nfs/dbraw/zinc/00/52/60/382005260.db2.gz LFOPVDKPANHNNQ-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000293157443 382011472 /nfs/dbraw/zinc/01/14/72/382011472.db2.gz VIFGNYLVFBWIFE-KGXGESDWSA-N 1 0 278.352 2.747 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293160072 382013783 /nfs/dbraw/zinc/01/37/83/382013783.db2.gz VNWYKPPEJABUBZ-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H](CO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347181 382048453 /nfs/dbraw/zinc/04/84/53/382048453.db2.gz WSPADJVPFJAQJC-XHDPSFHLSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000300405275 382060586 /nfs/dbraw/zinc/06/05/86/382060586.db2.gz HDKIWWNCRCFJCL-ZOWXZIJZSA-N 1 0 278.352 2.797 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](OC)C1CC1 ZINC000293185847 382023678 /nfs/dbraw/zinc/02/36/78/382023678.db2.gz WXUXIVUGUIBNAP-OAHLLOKOSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000417317411 382038258 /nfs/dbraw/zinc/03/82/58/382038258.db2.gz WPWRMPUDDBTMQK-BLLLJJGKSA-N 1 0 291.395 2.902 20 5 CFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000301197858 382103551 /nfs/dbraw/zinc/10/35/51/382103551.db2.gz UWVBYWCGOMBCMC-GFCCVEGCSA-N 1 0 292.383 2.912 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000293417292 382114732 /nfs/dbraw/zinc/11/47/32/382114732.db2.gz ZPQNJXPVAIXKEC-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C\c1ccncc1 ZINC000344084708 382119454 /nfs/dbraw/zinc/11/94/54/382119454.db2.gz CCCOOWSCRCDFLC-ARJAWSKDSA-N 1 0 283.331 2.835 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000344021710 382071575 /nfs/dbraw/zinc/07/15/75/382071575.db2.gz QJBVUAQJWZUYBI-CYBMUJFWSA-N 1 0 276.336 2.706 20 5 CFBDRO CCCC[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344020161 382072280 /nfs/dbraw/zinc/07/22/80/382072280.db2.gz NKOFVOCISIBCDE-CYBMUJFWSA-N 1 0 279.384 2.977 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293323420 382079176 /nfs/dbraw/zinc/07/91/76/382079176.db2.gz GBWRCNXWTSJVQO-XQQFMLRXSA-N 1 0 277.368 2.680 20 5 CFBDRO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301097579 382081528 /nfs/dbraw/zinc/08/15/28/382081528.db2.gz PZSGGPHPLQMDNQ-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000301113094 382084929 /nfs/dbraw/zinc/08/49/29/382084929.db2.gz ZXOQTOREDBUSGI-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301269986 382130507 /nfs/dbraw/zinc/13/05/07/382130507.db2.gz HKXKXEUMEJVNGY-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344111060 382136032 /nfs/dbraw/zinc/13/60/32/382136032.db2.gz UCUIUIJUHIIHJZ-DDTOSNHZSA-N 1 0 278.352 2.744 20 5 CFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000301306935 382145857 /nfs/dbraw/zinc/14/58/57/382145857.db2.gz VIBPJLKQACXQJT-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1cc(C2=CC[N@H+](CCCF)CC2)cc([N+](=O)[O-])c1N ZINC000377145327 382226022 /nfs/dbraw/zinc/22/60/22/382226022.db2.gz VPOSOXMFLGYLET-UHFFFAOYSA-N 1 0 293.342 2.934 20 5 CFBDRO COCC1=CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000187621201 382227593 /nfs/dbraw/zinc/22/75/93/382227593.db2.gz AHRSLZVDELFAPW-GQCTYLIASA-N 1 0 288.347 2.887 20 5 CFBDRO Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000302320029 382239851 /nfs/dbraw/zinc/23/98/51/382239851.db2.gz RDDRIXZFVMSNQZ-UHFFFAOYSA-N 1 0 272.308 2.822 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000187672279 382242402 /nfs/dbraw/zinc/24/24/02/382242402.db2.gz MPVYGSRHTGXBTE-GDLCADMTSA-N 1 0 278.352 2.713 20 5 CFBDRO Cc1cccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000302521510 382262432 /nfs/dbraw/zinc/26/24/32/382262432.db2.gz XXABGNYNTWKTAA-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420290599 382344048 /nfs/dbraw/zinc/34/40/48/382344048.db2.gz UQQISDPVBPKSRU-DTWKUNHWSA-N 1 0 285.294 2.802 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000188014275 382324177 /nfs/dbraw/zinc/32/41/77/382324177.db2.gz NLNVJCGSBFDZCI-NJZAAPMLSA-N 1 0 278.352 2.797 20 5 CFBDRO CCOc1cccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420293868 382345674 /nfs/dbraw/zinc/34/56/74/382345674.db2.gz YHQKTGLRVSQPJW-VXGBXAGGSA-N 1 0 293.367 2.923 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267882 382338168 /nfs/dbraw/zinc/33/81/68/382338168.db2.gz GFHXMLVOHQIYRW-KGLIPLIRSA-N 1 0 291.395 2.896 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000304075970 382374454 /nfs/dbraw/zinc/37/44/54/382374454.db2.gz XACUPUCCLFYJJW-SWLSCSKDSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000420361107 382383591 /nfs/dbraw/zinc/38/35/91/382383591.db2.gz HTDBPDQKKXERES-JUFZMCDQSA-N 1 0 277.368 2.632 20 5 CFBDRO CCSCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352551431 382393140 /nfs/dbraw/zinc/39/31/40/382393140.db2.gz XUESSUSMHGRIDW-UHFFFAOYSA-N 1 0 268.382 2.822 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000352642806 382429516 /nfs/dbraw/zinc/42/95/16/382429516.db2.gz KDZORVNFMONHNY-LBPRGKRZSA-N 1 0 294.351 2.986 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294151039 382436398 /nfs/dbraw/zinc/43/63/98/382436398.db2.gz QBFNUYBZZQHJIE-RISCZKNCSA-N 1 0 286.335 2.629 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000352671013 382446045 /nfs/dbraw/zinc/44/60/45/382446045.db2.gz HOUJBGJVGPAXBJ-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000304446814 382410253 /nfs/dbraw/zinc/41/02/53/382410253.db2.gz KXAAHLHPWHBWSU-CQDKDKBSSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188668946 382454138 /nfs/dbraw/zinc/45/41/38/382454138.db2.gz JPICVHMDHKYFQJ-AEGPPILISA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000358115905 382458452 /nfs/dbraw/zinc/45/84/52/382458452.db2.gz VWPDAAAWKVZPSX-JTQLQIEISA-N 1 0 290.323 2.570 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C1 ZINC000352730604 382463534 /nfs/dbraw/zinc/46/35/34/382463534.db2.gz FTXFHUWFISBZSH-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308386210 382475014 /nfs/dbraw/zinc/47/50/14/382475014.db2.gz DMJBJIDDGJWCIX-KGLIPLIRSA-N 1 0 276.336 2.642 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000308401380 382475258 /nfs/dbraw/zinc/47/52/58/382475258.db2.gz WUMLCUDTWPSVLL-KBPBESRZSA-N 1 0 276.336 2.642 20 5 CFBDRO C[NH+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000308637699 382482121 /nfs/dbraw/zinc/48/21/21/382482121.db2.gz SKGQQWPHCUIVCU-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000188871771 382496701 /nfs/dbraw/zinc/49/67/01/382496701.db2.gz AKOCBEOIYIYGMI-ZDUSSCGKSA-N 1 0 296.367 2.754 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294292583 382497467 /nfs/dbraw/zinc/49/74/67/382497467.db2.gz MVAIUBDAQVZHQP-WDEREUQCSA-N 1 0 295.408 2.971 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421010771 382505323 /nfs/dbraw/zinc/50/53/23/382505323.db2.gz RDXAQRQSAKHMJO-STQMWFEESA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000346784395 382509403 /nfs/dbraw/zinc/50/94/03/382509403.db2.gz AYQYTUVKTKCMQA-IINYFYTJSA-N 1 0 298.770 2.948 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649735 382538724 /nfs/dbraw/zinc/53/87/24/382538724.db2.gz DAIWJSRCJYKJBB-GJZGRUSLSA-N 1 0 290.363 2.762 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189156417 382556996 /nfs/dbraw/zinc/55/69/96/382556996.db2.gz ZRXSMWFDEFEPCW-INIZCTEOSA-N 1 0 290.363 2.986 20 5 CFBDRO CCC[C@@H]([NH2+]CCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358329806 382571134 /nfs/dbraw/zinc/57/11/34/382571134.db2.gz PCKWPUYPVWIWTF-OAHLLOKOSA-N 1 0 277.368 2.731 20 5 CFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826291 382577872 /nfs/dbraw/zinc/57/78/72/382577872.db2.gz SLXFPCHHWICFCF-AAEUAGOBSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358375175 382594338 /nfs/dbraw/zinc/59/43/38/382594338.db2.gz PLQWHSBEGQLDNF-WCBMZHEXSA-N 1 0 292.257 2.559 20 5 CFBDRO CC[N@H+](CCCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353665965 382599776 /nfs/dbraw/zinc/59/97/76/382599776.db2.gz MRYWCMBWCZSZEX-UHFFFAOYSA-N 1 0 280.368 2.923 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(OC(C)C)C1 ZINC000189533242 382620565 /nfs/dbraw/zinc/62/05/65/382620565.db2.gz CUBAQUOXAAUICT-UHFFFAOYSA-N 1 0 294.351 2.649 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189932626 382645767 /nfs/dbraw/zinc/64/57/67/382645767.db2.gz OBAXCSYXOJBEIY-QMTHXVAHSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189937549 382646169 /nfs/dbraw/zinc/64/61/69/382646169.db2.gz LLDQKTFLFMKGGR-DKIZZRPMSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1CC(O)C1 ZINC000190147666 382654788 /nfs/dbraw/zinc/65/47/88/382654788.db2.gz JDWTUYZNQJQPGD-DCBWTQNWSA-N 1 0 278.352 2.667 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2(C)OCCCO2)cc1[N+](=O)[O-] ZINC000190665099 382676873 /nfs/dbraw/zinc/67/68/73/382676873.db2.gz HIVKGKBSTNSWKG-LBPRGKRZSA-N 1 0 294.351 2.707 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000194093306 382735293 /nfs/dbraw/zinc/73/52/93/382735293.db2.gz IMOFIZIHTHNQRS-UHFFFAOYSA-N 1 0 280.324 2.692 20 5 CFBDRO CC[NH+](CC)CCCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000192039008 382704429 /nfs/dbraw/zinc/70/44/29/382704429.db2.gz JSDJITTVDBFASS-UHFFFAOYSA-N 1 0 299.346 2.886 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858966 382713050 /nfs/dbraw/zinc/71/30/50/382713050.db2.gz SGJFLEYRAIUEKO-XZJROXQQSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193086716 382715509 /nfs/dbraw/zinc/71/55/09/382715509.db2.gz YHBYYDUXXDCJAM-WFASDCNBSA-N 1 0 294.351 2.789 20 5 CFBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193654638 382721975 /nfs/dbraw/zinc/72/19/75/382721975.db2.gz NZGUGINNGKQVQY-UHFFFAOYSA-N 1 0 252.339 2.580 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000193691750 382722474 /nfs/dbraw/zinc/72/24/74/382722474.db2.gz QNUBLSIQTGKVAF-UHFFFAOYSA-N 1 0 279.296 2.877 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575001711 382723308 /nfs/dbraw/zinc/72/33/08/382723308.db2.gz LMOCAAFUZAGVGN-GFCCVEGCSA-N 1 0 264.325 2.597 20 5 CFBDRO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000336841050 382731436 /nfs/dbraw/zinc/73/14/36/382731436.db2.gz RDFZJCCKZBEQCQ-JTQLQIEISA-N 1 0 281.331 2.937 20 5 CFBDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000195446645 382768316 /nfs/dbraw/zinc/76/83/16/382768316.db2.gz YFLIEVUGAFAEMN-UHFFFAOYSA-N 1 0 294.742 2.543 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195511647 382768611 /nfs/dbraw/zinc/76/86/11/382768611.db2.gz OBFVGWOTOPYBQJ-JTQLQIEISA-N 1 0 284.385 2.584 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000219899293 382794459 /nfs/dbraw/zinc/79/44/59/382794459.db2.gz NRVPOHTTYOPBMT-AAEUAGOBSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cs1 ZINC000337288061 382794550 /nfs/dbraw/zinc/79/45/50/382794550.db2.gz LJDKDAZZCWPELV-BDAKNGLRSA-N 1 0 292.307 2.906 20 5 CFBDRO C[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000214727694 382776977 /nfs/dbraw/zinc/77/69/77/382776977.db2.gz GLJGEQLLPQEPHN-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000217401022 382786272 /nfs/dbraw/zinc/78/62/72/382786272.db2.gz OTLKYSBSAXTEFE-ZDUSSCGKSA-N 1 0 279.384 2.723 20 5 CFBDRO Cc1c(C[NH2+][C@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000336893921 382738398 /nfs/dbraw/zinc/73/83/98/382738398.db2.gz VHXHFFCHNVKAEG-OAHLLOKOSA-N 1 0 298.342 2.997 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000228555765 382847563 /nfs/dbraw/zinc/84/75/63/382847563.db2.gz BCCJYDJPDQTCJQ-WDEREUQCSA-N 1 0 266.366 2.999 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000221257919 382798316 /nfs/dbraw/zinc/79/83/16/382798316.db2.gz UWESZBVEQKYOSC-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000337456968 382824195 /nfs/dbraw/zinc/82/41/95/382824195.db2.gz IIIFAQKZMVWRIZ-BXUZGUMPSA-N 1 0 264.325 2.752 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000337474505 382827369 /nfs/dbraw/zinc/82/73/69/382827369.db2.gz RFIKETZJVUXRGR-PWSUYJOCSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000226386917 382827818 /nfs/dbraw/zinc/82/78/18/382827818.db2.gz DDZZOFRPQOMNCJ-GHMZBOCLSA-N 1 0 266.366 2.999 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337485476 382829071 /nfs/dbraw/zinc/82/90/71/382829071.db2.gz YJYCCSACQBDPIQ-BXUZGUMPSA-N 1 0 291.351 2.702 20 5 CFBDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000226760984 382831416 /nfs/dbraw/zinc/83/14/16/382831416.db2.gz VYTHYVVSWOARBQ-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000227340374 382836130 /nfs/dbraw/zinc/83/61/30/382836130.db2.gz ITHHDRJLBHQRRO-CYBMUJFWSA-N 1 0 294.351 2.652 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000227649453 382838829 /nfs/dbraw/zinc/83/88/29/382838829.db2.gz SDCLUONARSURTD-NEPJUHHUSA-N 1 0 296.758 2.682 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000577032145 382844711 /nfs/dbraw/zinc/84/47/11/382844711.db2.gz IQQTYZIPENQUFB-JTQLQIEISA-N 1 0 298.362 2.848 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000230147709 382856399 /nfs/dbraw/zinc/85/63/99/382856399.db2.gz UFLDGQQJUACQOE-KOLCDFICSA-N 1 0 284.743 2.905 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC1(C)C ZINC000337711544 382857600 /nfs/dbraw/zinc/85/76/00/382857600.db2.gz NTUJROFBRRFGKM-ZDUSSCGKSA-N 1 0 264.325 2.882 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC1(C)C ZINC000337711537 382857702 /nfs/dbraw/zinc/85/77/02/382857702.db2.gz NTUJROFBRRFGKM-CYBMUJFWSA-N 1 0 264.325 2.882 20 5 CFBDRO CC(C)(CCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000231402223 382865062 /nfs/dbraw/zinc/86/50/62/382865062.db2.gz VQRNHIKEWKRFSE-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C2CCC1CC2 ZINC000533237375 382888731 /nfs/dbraw/zinc/88/87/31/382888731.db2.gz UTUQOOSOLBPNIR-PKSQDBQZSA-N 1 0 289.335 2.549 20 5 CFBDRO CC[C@]1(O)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224404 382972651 /nfs/dbraw/zinc/97/26/51/382972651.db2.gz MLVAWHUOWABFCK-RISCZKNCSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[NH+](CC)CCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350379 382999121 /nfs/dbraw/zinc/99/91/21/382999121.db2.gz OWMXVNLONHQQKM-UHFFFAOYSA-N 1 0 293.411 2.801 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCOC1 ZINC000549550691 383009960 /nfs/dbraw/zinc/00/99/60/383009960.db2.gz MEASZZXTMYBVTP-RBWDJNPFSA-N 1 0 276.336 2.624 20 5 CFBDRO CC[C@]1(O)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198284 382969815 /nfs/dbraw/zinc/96/98/15/382969815.db2.gz ALQMEQRHCGHJSB-FZMZJTMJSA-N 1 0 264.325 2.503 20 5 CFBDRO CC1(C)C[C@@H](N[C@@H](C[NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265454 383054295 /nfs/dbraw/zinc/05/42/95/383054295.db2.gz AVJQKMCHSOGDRX-CABCVRRESA-N 1 0 289.379 2.644 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448362732 383058167 /nfs/dbraw/zinc/05/81/67/383058167.db2.gz OWFPCQRJOLADDU-WASHYIJTSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1c([C@@H](C)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423355657 383062058 /nfs/dbraw/zinc/06/20/58/383062058.db2.gz FREJSNZFDJURJQ-CHWSQXEVSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423375284 383071546 /nfs/dbraw/zinc/07/15/46/383071546.db2.gz ILVVSPGZLGAICC-NEPJUHHUSA-N 1 0 295.383 2.642 20 5 CFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000447899821 383027292 /nfs/dbraw/zinc/02/72/92/383027292.db2.gz XCMPNOJYMFMNMD-HNNXBMFYSA-N 1 0 291.395 2.805 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000590136008 383121352 /nfs/dbraw/zinc/12/13/52/383121352.db2.gz SYUSUYRQWJDSBP-NSHDSACASA-N 1 0 281.381 2.578 20 5 CFBDRO C[C@@H]1CC[N@H+](CCNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554002246 383121326 /nfs/dbraw/zinc/12/13/26/383121326.db2.gz YFYKVWQFKZWBSH-KXQLTZBTSA-N 1 0 289.379 2.539 20 5 CFBDRO CC[C@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554083246 383124769 /nfs/dbraw/zinc/12/47/69/383124769.db2.gz MLDHMIZXJQGUPH-SMDDNHRTSA-N 1 0 264.325 2.752 20 5 CFBDRO Cc1ccc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596434971 383126500 /nfs/dbraw/zinc/12/65/00/383126500.db2.gz YHGFXLMMBIMGFX-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566630351 383195800 /nfs/dbraw/zinc/19/58/00/383195800.db2.gz JRMLCDFVSRPRFN-DZGCQCFKSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnccn3)C2)cc1 ZINC000518482865 383199610 /nfs/dbraw/zinc/19/96/10/383199610.db2.gz HTWIBWNYEORIQK-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000339459915 383205677 /nfs/dbraw/zinc/20/56/77/383205677.db2.gz DQEDSVSVBQFHAK-SNVBAGLBSA-N 1 0 273.292 2.546 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247380227 383169193 /nfs/dbraw/zinc/16/91/93/383169193.db2.gz PSNHZTAIRSLENQ-SWLSCSKDSA-N 1 0 276.336 2.768 20 5 CFBDRO CC1=CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339624884 383266517 /nfs/dbraw/zinc/26/65/17/383266517.db2.gz ZQSQJHWDXSPRBN-UHFFFAOYSA-N 1 0 289.335 2.575 20 5 CFBDRO C[C@H](CCCO)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449407097 383272694 /nfs/dbraw/zinc/27/26/94/383272694.db2.gz FLRXVQYYYYBBMP-IBSXUBTNSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248624129 383273013 /nfs/dbraw/zinc/27/30/13/383273013.db2.gz NRPIBLSHTWENOW-DZGCQCFKSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCCC1 ZINC000449331777 383222350 /nfs/dbraw/zinc/22/23/50/383222350.db2.gz AWYNVRYXIVNHBS-DOMZBBRYSA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334380 383223536 /nfs/dbraw/zinc/22/35/36/383223536.db2.gz JFFVXHPHEUMCGR-KGLIPLIRSA-N 1 0 293.411 2.844 20 5 CFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248341806 383226175 /nfs/dbraw/zinc/22/61/75/383226175.db2.gz JEHOJJIWAPYOPF-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO CO[C@@](C)(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449338336 383226249 /nfs/dbraw/zinc/22/62/49/383226249.db2.gz VJKXXGAXDUJSKA-WBMJQRKESA-N 1 0 292.379 2.931 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1 ZINC000339514292 383227765 /nfs/dbraw/zinc/22/77/65/383227765.db2.gz ZEXJXPPSRMUKCI-HNNXBMFYSA-N 1 0 292.379 2.873 20 5 CFBDRO CCCCOCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519768531 383233900 /nfs/dbraw/zinc/23/39/00/383233900.db2.gz IHQZFSVQSSWURD-CQSZACIVSA-N 1 0 278.352 2.988 20 5 CFBDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492058 383329743 /nfs/dbraw/zinc/32/97/43/383329743.db2.gz BDZCITVGLOLTFV-PPDNHJNESA-N 1 0 290.363 2.965 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449447964 383299963 /nfs/dbraw/zinc/29/99/63/383299963.db2.gz CWOLZAONAIUYCR-VFFGBVLKSA-N 1 0 278.352 2.747 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCSC[C@@H]2C2CC2)cs1 ZINC000449527553 383352937 /nfs/dbraw/zinc/35/29/37/383352937.db2.gz JHSHQYPRGRRGLR-LLVKDONJSA-N 1 0 284.406 2.984 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c(Cl)c1 ZINC000250085735 383370317 /nfs/dbraw/zinc/37/03/17/383370317.db2.gz PQNJKKODSXFGOG-YUTCNCBUSA-N 1 0 296.754 2.905 20 5 CFBDRO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340458408 383424771 /nfs/dbraw/zinc/42/47/71/383424771.db2.gz GHDDNSMIXQLUPO-QJPTWQEYSA-N 1 0 284.335 2.613 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252672914 383426584 /nfs/dbraw/zinc/42/65/84/383426584.db2.gz DYTWDWGQAFJCSD-KBPBESRZSA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668623 383426621 /nfs/dbraw/zinc/42/66/21/383426621.db2.gz YQTZSSMKSUXKGB-MNOVXSKESA-N 1 0 279.315 2.773 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000252778923 383434858 /nfs/dbraw/zinc/43/48/58/383434858.db2.gz ZSOOVZJVRINNNE-SUNKGSAMSA-N 1 0 266.341 2.795 20 5 CFBDRO COC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000569258738 383482242 /nfs/dbraw/zinc/48/22/42/383482242.db2.gz KEMVNSLEILMZSM-KGLIPLIRSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000569089989 383467436 /nfs/dbraw/zinc/46/74/36/383467436.db2.gz RTZAVWHNVVQNSY-UPJWGTAASA-N 1 0 292.383 2.768 20 5 CFBDRO COCCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255299614 383478811 /nfs/dbraw/zinc/47/88/11/383478811.db2.gz OSKUBFGZDCEGAC-YVMONPNESA-N 1 0 264.325 2.576 20 5 CFBDRO CC1(C)COCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255836357 383487144 /nfs/dbraw/zinc/48/71/44/383487144.db2.gz CDCPWYZUVPHMAD-ALCCZGGFSA-N 1 0 276.336 2.719 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450823969 383505363 /nfs/dbraw/zinc/50/53/63/383505363.db2.gz CRCSMDLVCKKLFR-GFCCVEGCSA-N 1 0 281.331 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429301988 383516939 /nfs/dbraw/zinc/51/69/39/383516939.db2.gz PRMRMOPJTICOKR-ZDUSSCGKSA-N 1 0 284.315 2.557 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CF)CC1 ZINC000451392833 383605558 /nfs/dbraw/zinc/60/55/58/383605558.db2.gz KAFWGCKEBBNWPP-UHFFFAOYSA-N 1 0 282.315 2.785 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000341095487 383563519 /nfs/dbraw/zinc/56/35/19/383563519.db2.gz GMHUEQUGLYIZTA-TXEJJXNPSA-N 1 0 278.356 2.665 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000341117311 383570338 /nfs/dbraw/zinc/57/03/38/383570338.db2.gz JWGZFQASJBSMPB-NSHDSACASA-N 1 0 297.403 2.652 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000341119401 383571904 /nfs/dbraw/zinc/57/19/04/383571904.db2.gz LJQUKRQUSFAVCM-LLVKDONJSA-N 1 0 297.403 2.652 20 5 CFBDRO CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551325 383643653 /nfs/dbraw/zinc/64/36/53/383643653.db2.gz UHBQVZHGIOHAAQ-GOEBONIOSA-N 1 0 292.379 2.935 20 5 CFBDRO C[C@@H](O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553140 383645457 /nfs/dbraw/zinc/64/54/57/383645457.db2.gz XLUNHERPWMSQPK-UKRRQHHQSA-N 1 0 292.379 2.935 20 5 CFBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000451434698 383615693 /nfs/dbraw/zinc/61/56/93/383615693.db2.gz IAIILINBBKYCDX-ZDUSSCGKSA-N 1 0 295.383 2.561 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000571133070 383666700 /nfs/dbraw/zinc/66/67/00/383666700.db2.gz IBBFFAGDRIGKGX-MPKXVKKWSA-N 1 0 264.325 2.731 20 5 CFBDRO CC[N@H+](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000572735521 383812652 /nfs/dbraw/zinc/81/26/52/383812652.db2.gz XYPFRQNKEMJDRQ-HNNXBMFYSA-N 1 0 291.395 2.902 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2=CCOCC2)cccc1[N+](=O)[O-] ZINC000453277828 383831345 /nfs/dbraw/zinc/83/13/45/383831345.db2.gz CCSCXZGJLAMFEB-GFCCVEGCSA-N 1 0 276.336 2.901 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000265272289 383881742 /nfs/dbraw/zinc/88/17/42/383881742.db2.gz XNOBETZOSLLWBA-HUUCEWRRSA-N 1 0 278.352 2.720 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OCCC1CC[NH2+]CC1 ZINC000573556254 383949609 /nfs/dbraw/zinc/94/96/09/383949609.db2.gz BKXVQWSACHSZME-UHFFFAOYSA-N 1 0 292.335 2.566 20 5 CFBDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000531983673 383953060 /nfs/dbraw/zinc/95/30/60/383953060.db2.gz SMVJGUWVZZKOPH-STQMWFEESA-N 1 0 277.368 2.587 20 5 CFBDRO CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983863 383953139 /nfs/dbraw/zinc/95/31/39/383953139.db2.gz CQLYRTRIRNTEKL-XJKSGUPXSA-N 1 0 291.395 2.977 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000574284669 384073453 /nfs/dbraw/zinc/07/34/53/384073453.db2.gz GXZITHAFGHJKOE-ZFWWWQNUSA-N 1 0 288.347 2.596 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](C2CCCC2)CC1 ZINC000048805631 285077122 /nfs/dbraw/zinc/07/71/22/285077122.db2.gz TULQTRCCBBRJNJ-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO Cc1cnc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000266177755 384106646 /nfs/dbraw/zinc/10/66/46/384106646.db2.gz BFYGKUKYXRFXIH-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000266202852 384113769 /nfs/dbraw/zinc/11/37/69/384113769.db2.gz JWRIEGJMDBRKDC-GFCCVEGCSA-N 1 0 281.331 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)C1CCCC1 ZINC000574823713 384151716 /nfs/dbraw/zinc/15/17/16/384151716.db2.gz VUBSHHMTBTXASY-LSDHHAIUSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000266508626 384188521 /nfs/dbraw/zinc/18/85/21/384188521.db2.gz CYNLMCCOFJSHSA-ZIAGYGMSSA-N 1 0 291.395 2.929 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266761209 384234983 /nfs/dbraw/zinc/23/49/83/384234983.db2.gz GQGJURMBGUWAAS-GXFFZTMASA-N 1 0 266.341 2.652 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266836345 384245303 /nfs/dbraw/zinc/24/53/03/384245303.db2.gz FPULWVHILRKAEE-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC000277384866 384286773 /nfs/dbraw/zinc/28/67/73/384286773.db2.gz ISENKPKXKJCPIG-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCSC1 ZINC000267246493 384334881 /nfs/dbraw/zinc/33/48/81/384334881.db2.gz YOYQYRBPNXANNP-GFCCVEGCSA-N 1 0 296.392 2.979 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000277778876 384402715 /nfs/dbraw/zinc/40/27/15/384402715.db2.gz NQOGSYDDKJDDON-HNNXBMFYSA-N 1 0 278.352 2.722 20 5 CFBDRO C[C@H]1C[N@H+](CCCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277813025 384412904 /nfs/dbraw/zinc/41/29/04/384412904.db2.gz YJKQFSBZDJYBRI-ZDUSSCGKSA-N 1 0 293.367 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038585 285111933 /nfs/dbraw/zinc/11/19/33/285111933.db2.gz HZUJLDVNDULHDI-GDBMZVCRSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000289401056 197329965 /nfs/dbraw/zinc/32/99/65/197329965.db2.gz KZFRDKQYYAPLDW-ZBFHGGJFSA-N 1 0 290.363 2.750 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC[C@@H]1C ZINC000278373429 384544816 /nfs/dbraw/zinc/54/48/16/384544816.db2.gz BZMSKBCJLRAHLJ-GUTXKFCHSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268824144 384671648 /nfs/dbraw/zinc/67/16/48/384671648.db2.gz KRDBYMZLGAHVQL-UONOGXRCSA-N 1 0 289.379 2.824 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269664862 384825363 /nfs/dbraw/zinc/82/53/63/384825363.db2.gz RLSHROXPXKUTIN-LALPHHSUSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269631626 384811069 /nfs/dbraw/zinc/81/10/69/384811069.db2.gz FXXHNSRHDSEARK-CQSZACIVSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269832138 384876319 /nfs/dbraw/zinc/87/63/19/384876319.db2.gz PVPIAARJWAEZFZ-RWMBFGLXSA-N 1 0 278.352 2.891 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000269927951 384907019 /nfs/dbraw/zinc/90/70/19/384907019.db2.gz CDXKDMZTHFWAES-UHFFFAOYSA-N 1 0 257.721 2.658 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000269968721 384924697 /nfs/dbraw/zinc/92/46/97/384924697.db2.gz WZFLAJOGDMMLNA-RRFJBIMHSA-N 1 0 288.347 2.642 20 5 CFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000270187938 385008225 /nfs/dbraw/zinc/00/82/25/385008225.db2.gz WBDHTSOZIKHVEV-IINYFYTJSA-N 1 0 298.770 2.841 20 5 CFBDRO COCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000282162332 385232411 /nfs/dbraw/zinc/23/24/11/385232411.db2.gz XXPXDECNMQFAOL-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000282274027 385266945 /nfs/dbraw/zinc/26/69/45/385266945.db2.gz RKBSRBKEVIBMSK-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccsc1 ZINC000282346421 385288555 /nfs/dbraw/zinc/28/85/55/385288555.db2.gz ZXKWAWYEPZKAMW-SECBINFHSA-N 1 0 298.393 2.828 20 5 CFBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCO1 ZINC000282521509 385333249 /nfs/dbraw/zinc/33/32/49/385333249.db2.gz UAADWAHERAZGSG-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000282565793 385343064 /nfs/dbraw/zinc/34/30/64/385343064.db2.gz AIPAYXLFFNXEHE-LBPRGKRZSA-N 1 0 266.366 2.887 20 5 CFBDRO CC[C@H](CO)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271129526 385345747 /nfs/dbraw/zinc/34/57/47/385345747.db2.gz LNNHVORIHZTTAX-NEPJUHHUSA-N 1 0 298.408 2.826 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282635921 385359244 /nfs/dbraw/zinc/35/92/44/385359244.db2.gz BGFUAACSUDVTBP-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283282546 385454060 /nfs/dbraw/zinc/45/40/60/385454060.db2.gz XIKCJRGVRCMBSV-CYBMUJFWSA-N 1 0 296.342 2.982 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283523239 385473242 /nfs/dbraw/zinc/47/32/42/385473242.db2.gz NFHWJWORDFVXQL-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283856756 385508187 /nfs/dbraw/zinc/50/81/87/385508187.db2.gz BJTUYQHTNMXVSZ-RIEGTJTDSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000272257967 385490282 /nfs/dbraw/zinc/49/02/82/385490282.db2.gz AGGKLDJXTLTUQT-JQWIXIFHSA-N 1 0 298.770 2.805 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccnc1 ZINC000284146958 385540819 /nfs/dbraw/zinc/54/08/19/385540819.db2.gz PBMNXTMONIMPFM-GHMZBOCLSA-N 1 0 286.335 2.984 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1(O)CCC1 ZINC000284191100 385546244 /nfs/dbraw/zinc/54/62/44/385546244.db2.gz YEVDHZYKMZGZHQ-ZZXKWVIFSA-N 1 0 276.336 2.503 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000272516008 385556863 /nfs/dbraw/zinc/55/68/63/385556863.db2.gz KTVYHQJLARRWNL-HIFRSBDPSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272557553 385564364 /nfs/dbraw/zinc/56/43/64/385564364.db2.gz DQWIRDQUKVRJNR-GDBMZVCRSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H](CCCCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000272560698 385564892 /nfs/dbraw/zinc/56/48/92/385564892.db2.gz DWRXPSKVOOKSHQ-JTQLQIEISA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCC(F)(F)C1)CC2 ZINC000450690550 285184258 /nfs/dbraw/zinc/18/42/58/285184258.db2.gz HAEMEWDYJMJMHN-JTQLQIEISA-N 1 0 297.305 2.783 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2=CCCOC2)cccc1[N+](=O)[O-] ZINC000286916714 385739259 /nfs/dbraw/zinc/73/92/59/385739259.db2.gz FJQFKJCLLWDLEH-GFCCVEGCSA-N 1 0 276.336 2.901 20 5 CFBDRO COc1cc(C[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1F ZINC000274251296 385748588 /nfs/dbraw/zinc/74/85/88/385748588.db2.gz ICASLAKPLZDHML-UHFFFAOYSA-N 1 0 270.304 2.830 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000274806050 385874285 /nfs/dbraw/zinc/87/42/85/385874285.db2.gz SOYPWOUDXDJOPP-NSHDSACASA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000274806045 385874397 /nfs/dbraw/zinc/87/43/97/385874397.db2.gz SOYPWOUDXDJOPP-LLVKDONJSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@]1(CO)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275174033 385950992 /nfs/dbraw/zinc/95/09/92/385950992.db2.gz VGGSVIYYTHXGRB-OAHLLOKOSA-N 1 0 296.342 2.718 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000275241078 385963754 /nfs/dbraw/zinc/96/37/54/385963754.db2.gz OLBSKBJXNBGMQY-TZMCWYRMSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000288373575 197062401 /nfs/dbraw/zinc/06/24/01/197062401.db2.gz FHMJSQQDYOTUKY-LBPRGKRZSA-N 1 0 266.366 2.828 20 5 CFBDRO CCOCC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000288417733 197073087 /nfs/dbraw/zinc/07/30/87/197073087.db2.gz AVDVKFKIUHHCEF-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000281703026 195344285 /nfs/dbraw/zinc/34/42/85/195344285.db2.gz NWFFOZBDBYDLOA-BXUZGUMPSA-N 1 0 294.351 2.603 20 5 CFBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190922144 533260323 /nfs/dbraw/zinc/26/03/23/533260323.db2.gz PVKOSCRBVUUUAC-PWSUYJOCSA-N 1 0 284.743 2.905 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C1CCC1 ZINC000449740705 533385100 /nfs/dbraw/zinc/38/51/00/533385100.db2.gz QPVBMOYHLPTPII-LJEUOOAZSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414861749 533450958 /nfs/dbraw/zinc/45/09/58/533450958.db2.gz WTMNNRJYXAVNNT-GHMZBOCLSA-N 1 0 297.786 2.726 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191832523 130313450 /nfs/dbraw/zinc/31/34/50/130313450.db2.gz MATNIRZQFKNCEY-SGMGOOAPSA-N 1 0 278.352 2.979 20 5 CFBDRO CC[C@@H]1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000355675333 130331067 /nfs/dbraw/zinc/33/10/67/130331067.db2.gz RLDXMSNBSNPOQE-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000342223023 130395574 /nfs/dbraw/zinc/39/55/74/130395574.db2.gz VVCKVNAPDAZYRB-WDEREUQCSA-N 1 0 286.278 2.737 20 5 CFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CCC1 ZINC000218906382 130771734 /nfs/dbraw/zinc/77/17/34/130771734.db2.gz JVBAYUBEZRFAPZ-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000250922919 131127200 /nfs/dbraw/zinc/12/72/00/131127200.db2.gz QDIYQLPYJOIJLZ-GVXVVHGQSA-N 1 0 264.325 2.731 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252733192 131138004 /nfs/dbraw/zinc/13/80/04/131138004.db2.gz YHJNLGRDAZQMOW-YZIJFISFSA-N 1 0 298.408 2.793 20 5 CFBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000253603353 131145064 /nfs/dbraw/zinc/14/50/64/131145064.db2.gz KCQWPDVEDZUFTP-STQMWFEESA-N 1 0 293.367 2.506 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000264040824 131385025 /nfs/dbraw/zinc/38/50/25/131385025.db2.gz SBUXYWXFPDSBCR-MRXNPFEDSA-N 1 0 286.331 2.760 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000268876843 132082207 /nfs/dbraw/zinc/08/22/07/132082207.db2.gz JECMDSRCHJNWBX-IPYPFGDCSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268929230 132089909 /nfs/dbraw/zinc/08/99/09/132089909.db2.gz ZAUSBTCFGHZXRB-WBIUFABUSA-N 1 0 280.368 2.961 20 5 CFBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269012612 132100257 /nfs/dbraw/zinc/10/02/57/132100257.db2.gz XQTVJEHZYVNRAK-VXGBXAGGSA-N 1 0 291.351 2.702 20 5 CFBDRO CC[C@@H]([NH2+]CC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184518176 393529245 /nfs/dbraw/zinc/52/92/45/393529245.db2.gz KCUOWJNTUUGHFY-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO CCCN(Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000037539261 393531546 /nfs/dbraw/zinc/53/15/46/393531546.db2.gz HMYXAWVXZKANKQ-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)NCc1csc([N+](=O)[O-])c1 ZINC000037563120 393532413 /nfs/dbraw/zinc/53/24/13/393532413.db2.gz RQYRYOFGMVMANF-NSHDSACASA-N 1 0 283.397 2.620 20 5 CFBDRO CC1CC[NH+](CCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562631 393532457 /nfs/dbraw/zinc/53/24/57/393532457.db2.gz JKAQKZHQACMNGE-UHFFFAOYSA-N 1 0 297.424 2.868 20 5 CFBDRO CC(C)[C@@H](CNCc1csc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000037562655 393532603 /nfs/dbraw/zinc/53/26/03/393532603.db2.gz MZHZYXRMWXQWJK-CYBMUJFWSA-N 1 0 297.424 2.866 20 5 CFBDRO CC(C)OCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186642636 393547628 /nfs/dbraw/zinc/54/76/28/393547628.db2.gz GXXANIWRYZPIKZ-OAHLLOKOSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)OCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186642616 393548287 /nfs/dbraw/zinc/54/82/87/393548287.db2.gz GXXANIWRYZPIKZ-HNNXBMFYSA-N 1 0 292.379 2.931 20 5 CFBDRO CCCNC(=O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000045072298 393569141 /nfs/dbraw/zinc/56/91/41/393569141.db2.gz BUZVDGAQIMZOGU-CQSZACIVSA-N 1 0 293.367 2.552 20 5 CFBDRO CO[C@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000191144982 393588333 /nfs/dbraw/zinc/58/83/33/393588333.db2.gz AJZPTWWMZAZMFB-LLVKDONJSA-N 1 0 266.341 2.843 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1CCCCC1 ZINC000052812681 393617702 /nfs/dbraw/zinc/61/77/02/393617702.db2.gz HFVOCJQJNCLAKU-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@@H]([NH2+]CCN(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054109993 393619009 /nfs/dbraw/zinc/61/90/09/393619009.db2.gz UZCYGHSYXZPENY-CQSZACIVSA-N 1 0 265.357 2.587 20 5 CFBDRO C[C@H]1C[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146366 393624411 /nfs/dbraw/zinc/62/44/11/393624411.db2.gz ZFMMOBFFZQXRQG-QWHCGFSZSA-N 1 0 290.363 2.768 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000192909862 393636228 /nfs/dbraw/zinc/63/62/28/393636228.db2.gz BVEJFJMPQYHWSG-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193337393 393649403 /nfs/dbraw/zinc/64/94/03/393649403.db2.gz HCSSUMFAAFQROG-FIXISWKDSA-N 1 0 278.352 2.985 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000087016557 393755755 /nfs/dbraw/zinc/75/57/55/393755755.db2.gz WSVDXQARVBRQRD-NSHDSACASA-N 1 0 264.325 2.551 20 5 CFBDRO C[C@@H]([NH2+]CCc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000411487763 393717983 /nfs/dbraw/zinc/71/79/83/393717983.db2.gz KBSWTWGYBGXOEH-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415143 393911108 /nfs/dbraw/zinc/91/11/08/393911108.db2.gz QNUWNWKYEXHBIO-QWRGUYRKSA-N 1 0 266.366 2.921 20 5 CFBDRO Cc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000425287966 393875116 /nfs/dbraw/zinc/87/51/16/393875116.db2.gz SNNRTPCNRXWCAV-XHDPSFHLSA-N 1 0 293.342 2.573 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000341809273 393858023 /nfs/dbraw/zinc/85/80/23/393858023.db2.gz NVPAPPLVYSYVPY-LBPRGKRZSA-N 1 0 266.341 2.950 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000104687800 393861555 /nfs/dbraw/zinc/86/15/55/393861555.db2.gz BCLYYILFDFVDPU-SNVBAGLBSA-N 1 0 280.324 2.692 20 5 CFBDRO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000271171816 394017785 /nfs/dbraw/zinc/01/77/85/394017785.db2.gz QIBDHAUHKBTGMP-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C ZINC000430236860 393971316 /nfs/dbraw/zinc/97/13/16/393971316.db2.gz HSYVHGVHJDIPAT-JTQLQIEISA-N 1 0 250.298 2.588 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C1CC1 ZINC000122778466 393971726 /nfs/dbraw/zinc/97/17/26/393971726.db2.gz RHGNEKBPTYASOK-QWRGUYRKSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000349972920 393974687 /nfs/dbraw/zinc/97/46/87/393974687.db2.gz UQRXIEPAHWTLLD-HOCLYGCPSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCOC(C)(C)[C@@H]1C ZINC000349978054 393975623 /nfs/dbraw/zinc/97/56/23/393975623.db2.gz SEJBGSJVMFJGRF-LBPRGKRZSA-N 1 0 278.352 2.903 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354416243 394047189 /nfs/dbraw/zinc/04/71/89/394047189.db2.gz OHTCNQKUATYRPB-CJNGLKHVSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492434370 394068172 /nfs/dbraw/zinc/06/81/72/394068172.db2.gz CGVPSGHFANVAOD-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO C[NH2+]CCN(C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420225801 394098828 /nfs/dbraw/zinc/09/88/28/394098828.db2.gz JTSYLRRDDPIDFY-UHFFFAOYSA-N 1 0 278.139 2.557 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000133449485 394177086 /nfs/dbraw/zinc/17/70/86/394177086.db2.gz GMZRIGUYJJNEDJ-CJNGLKHVSA-N 1 0 289.379 2.824 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000439300679 394111304 /nfs/dbraw/zinc/11/13/04/394111304.db2.gz YTAQVPSTIGCTPI-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420270628 394111407 /nfs/dbraw/zinc/11/14/07/394111407.db2.gz CEIFZBYTJMEXSJ-ZJUUUORDSA-N 1 0 297.330 2.672 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCCO1 ZINC000439471963 394117822 /nfs/dbraw/zinc/11/78/22/394117822.db2.gz RUJBYKYBMZRMLM-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO COC[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493129506 394157678 /nfs/dbraw/zinc/15/76/78/394157678.db2.gz FULLIRAWKVSUKA-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000421373194 394207185 /nfs/dbraw/zinc/20/71/85/394207185.db2.gz DOPDVJNDGBLVMJ-QWRGUYRKSA-N 1 0 270.354 2.704 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000135308769 394217523 /nfs/dbraw/zinc/21/75/23/394217523.db2.gz FLOOUYSOVUEDRR-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO C[C@H](Cc1ccoc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000449131139 394223917 /nfs/dbraw/zinc/22/39/17/394223917.db2.gz KHYRMSIUOYPAHH-GFCCVEGCSA-N 1 0 274.320 2.951 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139849 394227493 /nfs/dbraw/zinc/22/74/93/394227493.db2.gz LYRJHXCQFZOKOF-HEHGZKQESA-N 1 0 294.395 2.913 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139852 394227500 /nfs/dbraw/zinc/22/75/00/394227500.db2.gz LYRJHXCQFZOKOF-ZENOOKHLSA-N 1 0 294.395 2.913 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449157854 394234133 /nfs/dbraw/zinc/23/41/33/394234133.db2.gz WPLVUQUCIDQZRP-DOMZBBRYSA-N 1 0 280.368 2.522 20 5 CFBDRO CSC[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160663 394235544 /nfs/dbraw/zinc/23/55/44/394235544.db2.gz MJYKIKOTIRCETH-MNOVXSKESA-N 1 0 268.382 2.867 20 5 CFBDRO CCCN(CC)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176290 394242272 /nfs/dbraw/zinc/24/22/72/394242272.db2.gz MDSAIPDOYAJFJU-AWEZNQCLSA-N 1 0 293.411 2.847 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187613 394246803 /nfs/dbraw/zinc/24/68/03/394246803.db2.gz KZODHGHBQMZKJA-MNOVXSKESA-N 1 0 268.382 2.867 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1CCOCC1 ZINC000449190261 394246813 /nfs/dbraw/zinc/24/68/13/394246813.db2.gz QMJZKJRZHHURHL-CHWSQXEVSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cn1 ZINC000449189970 394247378 /nfs/dbraw/zinc/24/73/78/394247378.db2.gz HXVMFIGVPYZUGQ-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000449205790 394251347 /nfs/dbraw/zinc/25/13/47/394251347.db2.gz MEQDXDRSBYSHSX-MNOVXSKESA-N 1 0 274.324 2.600 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cn[nH]c1 ZINC000449205789 394251623 /nfs/dbraw/zinc/25/16/23/394251623.db2.gz MEQDXDRSBYSHSX-GHMZBOCLSA-N 1 0 274.324 2.600 20 5 CFBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292792889 394277418 /nfs/dbraw/zinc/27/74/18/394277418.db2.gz YBPXPZZBRRSRTJ-LBPRGKRZSA-N 1 0 295.358 2.963 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153210503 394280017 /nfs/dbraw/zinc/28/00/17/394280017.db2.gz IHVGIUKBDRZISZ-PHIMTYICSA-N 1 0 264.300 2.966 20 5 CFBDRO CC[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000153581908 394286379 /nfs/dbraw/zinc/28/63/79/394286379.db2.gz RSORYNPHPIJIDV-NSHDSACASA-N 1 0 298.774 2.930 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153645405 394288102 /nfs/dbraw/zinc/28/81/02/394288102.db2.gz BUXLZOJUBPSBJL-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@@H](O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000451057896 394352637 /nfs/dbraw/zinc/35/26/37/394352637.db2.gz UJOROIFAVVBLOW-LLVKDONJSA-N 1 0 266.341 2.581 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158175047 394354897 /nfs/dbraw/zinc/35/48/97/394354897.db2.gz DKERQGRKQQGHCD-UONOGXRCSA-N 1 0 291.395 2.896 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@](C)(F)C1 ZINC000451119278 394359874 /nfs/dbraw/zinc/35/98/74/394359874.db2.gz ZTBZGAPHOTUNRZ-CQSZACIVSA-N 1 0 282.315 2.927 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc([N+](=O)[O-])cc1 ZINC000178318526 394387187 /nfs/dbraw/zinc/38/71/87/394387187.db2.gz VAQUDCWVZDPIEH-VKKKGTNTSA-N 1 0 262.309 2.565 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O ZINC000539058100 394620852 /nfs/dbraw/zinc/62/08/52/394620852.db2.gz FDWBYDWAAFIHCV-JOOBJXAISA-N 1 0 298.408 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000558251524 395055653 /nfs/dbraw/zinc/05/56/53/395055653.db2.gz ZVTMOOQOJOSINN-LSDHHAIUSA-N 1 0 276.336 2.752 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573373 395064651 /nfs/dbraw/zinc/06/46/51/395064651.db2.gz JZDFHNVHVRWEAJ-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301943168 296518849 /nfs/dbraw/zinc/51/88/49/296518849.db2.gz YDZGTSAJTFEGEA-LLVKDONJSA-N 1 0 281.381 2.721 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421009353 397570997 /nfs/dbraw/zinc/57/09/97/397570997.db2.gz PXWNIISELYPOFX-DOMZBBRYSA-N 1 0 277.368 2.682 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691517 397577606 /nfs/dbraw/zinc/57/76/06/397577606.db2.gz DIZNJMCFICNVKY-STQMWFEESA-N 1 0 279.384 2.976 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191641166 285976059 /nfs/dbraw/zinc/97/60/59/285976059.db2.gz DQOKJJNODGZWPV-FRRDWIJNSA-N 1 0 280.368 2.929 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451626205 292295469 /nfs/dbraw/zinc/29/54/69/292295469.db2.gz RUSWBARDTOTOEF-DVOMOZLQSA-N 1 0 289.379 2.600 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000182739583 292295557 /nfs/dbraw/zinc/29/55/57/292295557.db2.gz ITSFGMBYRQLMPD-HIFRSBDPSA-N 1 0 291.395 2.990 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1F ZINC000367292916 156309972 /nfs/dbraw/zinc/30/99/72/156309972.db2.gz WPMGUUAYDKDFAF-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1F ZINC000367452862 156333771 /nfs/dbraw/zinc/33/37/71/156333771.db2.gz WSPPDJCTRMZDPP-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC2)CC1 ZINC000373793118 157030643 /nfs/dbraw/zinc/03/06/43/157030643.db2.gz YOYSHLHWPHFWNA-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1F ZINC000374795722 157159017 /nfs/dbraw/zinc/15/90/17/157159017.db2.gz SIOGFSXJJOQCBM-LSDHHAIUSA-N 1 0 294.326 2.877 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000375302590 157220810 /nfs/dbraw/zinc/22/08/10/157220810.db2.gz LYNMXBDNVIAOCI-OAHLLOKOSA-N 1 0 276.336 2.658 20 5 CFBDRO CC(C)(C)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033291 157316281 /nfs/dbraw/zinc/31/62/81/157316281.db2.gz CSSVEYLBKZZQLX-UHFFFAOYSA-N 1 0 280.372 2.864 20 5 CFBDRO CCCC[N@H+](C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000343863034 161880086 /nfs/dbraw/zinc/88/00/86/161880086.db2.gz ZLGACLBBPSVIAW-UHFFFAOYSA-N 1 0 299.346 2.886 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1CCOC1 ZINC000344269762 161990906 /nfs/dbraw/zinc/99/09/06/161990906.db2.gz MPHKVQBCAWREHS-HSBHDXMMSA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344379570 162030154 /nfs/dbraw/zinc/03/01/54/162030154.db2.gz YLIZWAIHKLDHLQ-SPYVTISKSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000344395757 162034265 /nfs/dbraw/zinc/03/42/65/162034265.db2.gz RTQNFVIZFQNWIJ-LSDHHAIUSA-N 1 0 294.326 2.781 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1C ZINC000344829026 162130680 /nfs/dbraw/zinc/13/06/80/162130680.db2.gz CMIKPVACURJFBA-RCBBPTIPSA-N 1 0 289.379 2.682 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(O)CC1 ZINC000344866591 162137177 /nfs/dbraw/zinc/13/71/77/162137177.db2.gz UNYMJPXOXOXEIL-XFXZXTDPSA-N 1 0 290.363 2.891 20 5 CFBDRO COC[C@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344875711 162139708 /nfs/dbraw/zinc/13/97/08/162139708.db2.gz OIOUJCSSCCNACR-BWODNOAJSA-N 1 0 278.352 2.870 20 5 CFBDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344902825 162144696 /nfs/dbraw/zinc/14/46/96/162144696.db2.gz TXMXKVSDIAJXHX-NSHDSACASA-N 1 0 260.293 2.909 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000345099671 162177694 /nfs/dbraw/zinc/17/76/94/162177694.db2.gz QCUJXIQHBDCXHE-UHFFFAOYSA-N 1 0 276.292 2.699 20 5 CFBDRO CCCN(CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000345446957 162250008 /nfs/dbraw/zinc/25/00/08/162250008.db2.gz IELPXSLIBJPWOA-UHFFFAOYSA-N 1 0 265.357 2.763 20 5 CFBDRO CCCN(CCC[NH+](C)C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000345444712 162250240 /nfs/dbraw/zinc/25/02/40/162250240.db2.gz GEGXANDOMQVYOL-UHFFFAOYSA-N 1 0 294.399 2.775 20 5 CFBDRO CCCN(CCC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000345462288 162251965 /nfs/dbraw/zinc/25/19/65/162251965.db2.gz MDMBHISPGLAVQO-UHFFFAOYSA-N 1 0 283.347 2.902 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000346166007 162337259 /nfs/dbraw/zinc/33/72/59/162337259.db2.gz ARKYBXPSDICJLX-NEPJUHHUSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180487 162343433 /nfs/dbraw/zinc/34/34/33/162343433.db2.gz BYWNFCJJUOFUES-KGLIPLIRSA-N 1 0 291.395 2.552 20 5 CFBDRO [NH3+]CCN(Cc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000348888984 162917005 /nfs/dbraw/zinc/91/70/05/162917005.db2.gz BJTJJMGSYNUNPL-UHFFFAOYSA-N 1 0 277.349 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000350312686 163072713 /nfs/dbraw/zinc/07/27/13/163072713.db2.gz SWDOMXGAVNOHIN-GFCCVEGCSA-N 1 0 294.326 2.925 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000350390686 163076698 /nfs/dbraw/zinc/07/66/98/163076698.db2.gz KQWYBGOHTUXBPW-RISCZKNCSA-N 1 0 264.325 2.560 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000350724274 163101853 /nfs/dbraw/zinc/10/18/53/163101853.db2.gz JPDQHDCUGNFCMZ-UHFFFAOYSA-N 1 0 277.368 2.907 20 5 CFBDRO CC(C)C1CCC(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000352759213 163228440 /nfs/dbraw/zinc/22/84/40/163228440.db2.gz JFLXCIBXFIHDPX-UHFFFAOYSA-N 1 0 294.399 2.843 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353032688 163292240 /nfs/dbraw/zinc/29/22/40/163292240.db2.gz HIRHBKOYSYDLJW-JQWIXIFHSA-N 1 0 266.366 2.744 20 5 CFBDRO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])nc2)CCCC1 ZINC000353283399 163337508 /nfs/dbraw/zinc/33/75/08/163337508.db2.gz VBUDGULPSAIBGD-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353507728 163380976 /nfs/dbraw/zinc/38/09/76/163380976.db2.gz CNFKWZCQLBQSQT-HIFRSBDPSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CC1 ZINC000353514741 163383026 /nfs/dbraw/zinc/38/30/26/163383026.db2.gz UZRVJJFJPUWMGE-DOMZBBRYSA-N 1 0 292.379 2.524 20 5 CFBDRO CCCCOCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284266154 196016012 /nfs/dbraw/zinc/01/60/12/196016012.db2.gz WOHXJZFIVGFZDN-NSHDSACASA-N 1 0 281.356 2.644 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000020127925 171014124 /nfs/dbraw/zinc/01/41/24/171014124.db2.gz OEILMWXTSXZQAT-LLVKDONJSA-N 1 0 257.293 2.841 20 5 CFBDRO C[C@H]([NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000020141411 171027815 /nfs/dbraw/zinc/02/78/15/171027815.db2.gz CYRPCOMPTMYVRO-NSHDSACASA-N 1 0 257.293 2.841 20 5 CFBDRO CCC[C@H]([NH2+][C@H](CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000020196155 171061408 /nfs/dbraw/zinc/06/14/08/171061408.db2.gz RZDXZOXDDYRZBU-OCCSQVGLSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000020201772 171066474 /nfs/dbraw/zinc/06/64/74/171066474.db2.gz KFVAPKHCQWUULB-OAHLLOKOSA-N 1 0 279.384 2.661 20 5 CFBDRO COc1ccc(C[NH2+]C2CCCC2)cc1[N+](=O)[O-] ZINC000021808298 171328335 /nfs/dbraw/zinc/32/83/35/171328335.db2.gz GKZBZWZHXWIKPB-UHFFFAOYSA-N 1 0 250.298 2.636 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284947504 196162524 /nfs/dbraw/zinc/16/25/24/196162524.db2.gz WVIACYRIIIOCMA-CABCVRRESA-N 1 0 276.336 2.738 20 5 CFBDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000284956193 196164702 /nfs/dbraw/zinc/16/47/02/196164702.db2.gz FGJJCLQTKTUNRF-SMDDNHRTSA-N 1 0 295.383 2.889 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285051135 196186327 /nfs/dbraw/zinc/18/63/27/196186327.db2.gz ILKKMRSKXBTJDL-WDEREUQCSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285143432 196206017 /nfs/dbraw/zinc/20/60/17/196206017.db2.gz LXNFPSJDTZRAGD-WOPDTQHZSA-N 1 0 293.367 2.643 20 5 CFBDRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285154400 196208836 /nfs/dbraw/zinc/20/88/36/196208836.db2.gz MJLGUDFYJWOIAE-GXSJLCMTSA-N 1 0 283.397 2.969 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000035692064 172361076 /nfs/dbraw/zinc/36/10/76/172361076.db2.gz LUQMLLGEPNUHED-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1cncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285436758 196283483 /nfs/dbraw/zinc/28/34/83/196283483.db2.gz XEQCGXSDUXLUNT-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000285534807 196318730 /nfs/dbraw/zinc/31/87/30/196318730.db2.gz QDBPCAQNGNKRHP-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO CC[C@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000037010489 172868800 /nfs/dbraw/zinc/86/88/00/172868800.db2.gz LFRPLJFRGQVROF-KGLIPLIRSA-N 1 0 264.325 2.815 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000285609903 196343028 /nfs/dbraw/zinc/34/30/28/196343028.db2.gz QAPMOBLPBXBFSR-CQSZACIVSA-N 1 0 282.315 2.783 20 5 CFBDRO C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176872 173010424 /nfs/dbraw/zinc/01/04/24/173010424.db2.gz DQZPBKBQQBIOQM-GFCCVEGCSA-N 1 0 279.384 2.833 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000037371696 173160988 /nfs/dbraw/zinc/16/09/88/173160988.db2.gz NJNABNQZIPKWGE-CYBMUJFWSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038044380 174052212 /nfs/dbraw/zinc/05/22/12/174052212.db2.gz GPUGVDJDKRNATP-CHWSQXEVSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000038096028 174110324 /nfs/dbraw/zinc/11/03/24/174110324.db2.gz GXOVHVBSLGHUMO-NEPJUHHUSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000040747098 174392469 /nfs/dbraw/zinc/39/24/69/174392469.db2.gz QDFZWMQNYLOXKA-YIONKMFJSA-N 1 0 289.379 2.618 20 5 CFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000043474030 175054364 /nfs/dbraw/zinc/05/43/64/175054364.db2.gz LVWWATDHNQRGAS-SNVBAGLBSA-N 1 0 281.331 2.876 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000044411795 175171929 /nfs/dbraw/zinc/17/19/29/175171929.db2.gz CQWSLVPIZQTNMA-SECBINFHSA-N 1 0 281.743 2.897 20 5 CFBDRO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534272 175198059 /nfs/dbraw/zinc/19/80/59/175198059.db2.gz XDECNNIGFMSAIK-QWHCGFSZSA-N 1 0 277.368 2.587 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000044572613 175209674 /nfs/dbraw/zinc/20/96/74/175209674.db2.gz FRTJBOKFLIQJTG-CYBMUJFWSA-N 1 0 263.341 2.798 20 5 CFBDRO CC(C)CCOCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000045093988 175306815 /nfs/dbraw/zinc/30/68/15/175306815.db2.gz VNNFTFXVJSNIHZ-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000076653024 177043981 /nfs/dbraw/zinc/04/39/81/177043981.db2.gz PMPOAUKRDLCNAH-LLVKDONJSA-N 1 0 279.340 2.572 20 5 CFBDRO CCn1cncc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418073877 228007006 /nfs/dbraw/zinc/00/70/06/228007006.db2.gz DWSPDKAQXYQNKX-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312854535 260213224 /nfs/dbraw/zinc/21/32/24/260213224.db2.gz WOLSHGUHNSPVCQ-QWRGUYRKSA-N 1 0 281.331 2.937 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313069458 260243939 /nfs/dbraw/zinc/24/39/39/260243939.db2.gz SFIZAEPCUBQXER-RISCZKNCSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313110909 260249903 /nfs/dbraw/zinc/24/99/03/260249903.db2.gz FABYQSYOQDSYFD-ZWNOBZJWSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000393969258 262385840 /nfs/dbraw/zinc/38/58/40/262385840.db2.gz XFKVOZOLMRDSND-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000518945980 265238402 /nfs/dbraw/zinc/23/84/02/265238402.db2.gz YCAFFVPOYRFQCD-GFCCVEGCSA-N 1 0 293.342 2.560 20 5 CFBDRO C[N@H+](CCc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000192633078 270232868 /nfs/dbraw/zinc/23/28/68/270232868.db2.gz DJUKOSLFWFLEOZ-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250087362 270271870 /nfs/dbraw/zinc/27/18/70/270271870.db2.gz PWASIDQBVQXSQS-BLLLJJGKSA-N 1 0 292.379 2.921 20 5 CFBDRO COC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271044427 270278094 /nfs/dbraw/zinc/27/80/94/270278094.db2.gz PHMYTFVGUVCJSO-GQCTYLIASA-N 1 0 276.336 2.719 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000392793135 270306484 /nfs/dbraw/zinc/30/64/84/270306484.db2.gz GNXJEDNLMOCULM-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514953426 270359125 /nfs/dbraw/zinc/35/91/25/270359125.db2.gz WJIYCUJSPUDZLY-IUODEOHRSA-N 1 0 291.395 2.902 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C2CCC1CC2 ZINC000515121390 270362250 /nfs/dbraw/zinc/36/22/50/270362250.db2.gz KDUGGJDRUCMKAV-UHFFFAOYSA-N 1 0 262.309 2.730 20 5 CFBDRO CO[C@@](C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000515670701 270374412 /nfs/dbraw/zinc/37/44/12/270374412.db2.gz UPUKLSQFBRGCCY-ZBFHGGJFSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000532577129 270863304 /nfs/dbraw/zinc/86/33/04/270863304.db2.gz CXZIUTSLALPHQD-ZYHUDNBSSA-N 1 0 291.351 2.572 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148509998 273638228 /nfs/dbraw/zinc/63/82/28/273638228.db2.gz QSDRULQWVHDFKK-SECBINFHSA-N 1 0 286.763 2.785 20 5 CFBDRO COC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179367016 274041706 /nfs/dbraw/zinc/04/17/06/274041706.db2.gz ZZZVZQPQYYSZRY-WAFBPQNNSA-N 1 0 264.325 2.575 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283856766 274062274 /nfs/dbraw/zinc/06/22/74/274062274.db2.gz BJTUYQHTNMXVSZ-WDBKCZKBSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000420289763 274360814 /nfs/dbraw/zinc/36/08/14/274360814.db2.gz ZXDHYXQYMRPPSR-MUWHJKNJSA-N 1 0 290.150 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@@H]3CCOC3)C2)cc1 ZINC000331534845 275037291 /nfs/dbraw/zinc/03/72/91/275037291.db2.gz XPVRBIMKIIDJMW-DZGCQCFKSA-N 1 0 276.336 2.563 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCO1)CCC2 ZINC000192595992 275037833 /nfs/dbraw/zinc/03/78/33/275037833.db2.gz RPXIRHJMBPVNRH-ZFWWWQNUSA-N 1 0 276.336 2.741 20 5 CFBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331042079 275707464 /nfs/dbraw/zinc/70/74/64/275707464.db2.gz CZHXCSMEZHFFII-NEPJUHHUSA-N 1 0 280.372 2.633 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000352891702 275998671 /nfs/dbraw/zinc/99/86/71/275998671.db2.gz DVKYSUAGKKPVET-UHFFFAOYSA-N 1 0 291.395 2.903 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)O ZINC000283470220 276002113 /nfs/dbraw/zinc/00/21/13/276002113.db2.gz IMVJPMWKYXGOOL-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674583 276052966 /nfs/dbraw/zinc/05/29/66/276052966.db2.gz IODOZORSXFHQDS-TZMCWYRMSA-N 1 0 291.395 2.887 20 5 CFBDRO C[NH+](C)CC1(Nc2ncc([N+](=O)[O-])cc2Cl)CCC1 ZINC000281961715 276758482 /nfs/dbraw/zinc/75/84/82/276758482.db2.gz SWRWFGZXUWNSSX-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO C[NH+](C)CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341736716 276758709 /nfs/dbraw/zinc/75/87/09/276758709.db2.gz XOZRVHQEISXAJU-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO C[NH2+]C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420306092 277020141 /nfs/dbraw/zinc/02/01/41/277020141.db2.gz ZUJWSVREPBGTEX-GFCCVEGCSA-N 1 0 277.368 2.648 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367165701 277210934 /nfs/dbraw/zinc/21/09/34/277210934.db2.gz PGKLYIUQQVTSNA-HNNXBMFYSA-N 1 0 298.346 2.776 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293821926 277280920 /nfs/dbraw/zinc/28/09/20/277280920.db2.gz WLIAWPHWUSRHSR-YGRLFVJLSA-N 1 0 264.325 2.670 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290085909 277325667 /nfs/dbraw/zinc/32/56/67/277325667.db2.gz HCSSUMFAAFQROG-HFAKWTLXSA-N 1 0 278.352 2.985 20 5 CFBDRO CO[C@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000291001434 277774060 /nfs/dbraw/zinc/77/40/60/277774060.db2.gz BZLPHIZHMOLMQH-OAHLLOKOSA-N 1 0 278.352 2.808 20 5 CFBDRO C[C@@H](CNCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000038041910 278283423 /nfs/dbraw/zinc/28/34/23/278283423.db2.gz FHTVFZOQKBKWMQ-AWEZNQCLSA-N 1 0 291.395 2.806 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+](C)C1CC1 ZINC000274477138 278312804 /nfs/dbraw/zinc/31/28/04/278312804.db2.gz LLWRWRWXVUNQMT-GFCCVEGCSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000063196399 278313151 /nfs/dbraw/zinc/31/31/51/278313151.db2.gz QPUCALPNZXJFLV-YGRLFVJLSA-N 1 0 297.786 2.950 20 5 CFBDRO C[C@@H](NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423176642 278340392 /nfs/dbraw/zinc/34/03/92/278340392.db2.gz HMYNKVPETODBOA-GFCCVEGCSA-N 1 0 277.368 2.907 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000294948143 288061438 /nfs/dbraw/zinc/06/14/38/288061438.db2.gz ILASBOMOHQIPTK-GWCFXTLKSA-N 1 0 266.341 2.795 20 5 CFBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037126375 279079026 /nfs/dbraw/zinc/07/90/26/279079026.db2.gz IIYJBPMOMUDGKK-RYUDHWBXSA-N 1 0 293.367 2.502 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000344536096 279275015 /nfs/dbraw/zinc/27/50/15/279275015.db2.gz KULJBGRWDRQALS-WBMJQRKESA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000166633429 279528963 /nfs/dbraw/zinc/52/89/63/279528963.db2.gz VZBKFZBMDYKLNP-MZPVMMEZSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000491829920 279864828 /nfs/dbraw/zinc/86/48/28/279864828.db2.gz BESCKPOVMBYRCO-HZMBPMFUSA-N 1 0 297.786 2.630 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336807059 279917938 /nfs/dbraw/zinc/91/79/38/279917938.db2.gz FQCJIAFUECSDTH-CABZTGNLSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271129528 280149957 /nfs/dbraw/zinc/14/99/57/280149957.db2.gz LNNHVORIHZTTAX-RYUDHWBXSA-N 1 0 298.408 2.826 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2[NH+](C)C)n1 ZINC000362678309 280399696 /nfs/dbraw/zinc/39/96/96/280399696.db2.gz AZIQHIXFVJEKJW-RYUDHWBXSA-N 1 0 278.356 2.501 20 5 CFBDRO Cc1cc(N2C[C@@H](F)[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295057923 280584479 /nfs/dbraw/zinc/58/44/79/280584479.db2.gz VDYYBQAUZCYVNZ-TXEJJXNPSA-N 1 0 293.273 2.948 20 5 CFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105443333 280585216 /nfs/dbraw/zinc/58/52/16/280585216.db2.gz QSFWELGILVFGAZ-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS2)cc1 ZINC000122364692 280627048 /nfs/dbraw/zinc/62/70/48/280627048.db2.gz JGAGCICFROCFQU-GFCCVEGCSA-N 1 0 252.339 2.580 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2[NH+](C)C)c1 ZINC000486040415 281015109 /nfs/dbraw/zinc/01/51/09/281015109.db2.gz ZGQSPMGTGWRUME-AAEUAGOBSA-N 1 0 263.341 2.798 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420290339 281020437 /nfs/dbraw/zinc/02/04/37/281020437.db2.gz LWDRJESERRGZJU-MCIONIFRSA-N 1 0 289.379 2.791 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362087951 281022798 /nfs/dbraw/zinc/02/27/98/281022798.db2.gz CUIVMXHOIBGEGM-FRRDWIJNSA-N 1 0 278.352 2.524 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249035419 281045410 /nfs/dbraw/zinc/04/54/10/281045410.db2.gz SGJFLEYRAIUEKO-KNXALSJPSA-N 1 0 292.379 2.969 20 5 CFBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000336830367 281163846 /nfs/dbraw/zinc/16/38/46/281163846.db2.gz BRAZRVWUIWOQNX-UHFFFAOYSA-N 1 0 284.331 2.838 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000393960267 281193821 /nfs/dbraw/zinc/19/38/21/281193821.db2.gz DDEDMRIGLTXZBK-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451629310 281246263 /nfs/dbraw/zinc/24/62/63/281246263.db2.gz DKXOBPVEPKOWQC-CHWSQXEVSA-N 1 0 286.278 2.530 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000515716615 281296792 /nfs/dbraw/zinc/29/67/92/281296792.db2.gz PEHQMFADKNYICW-NSHDSACASA-N 1 0 274.324 2.520 20 5 CFBDRO CC1(C)C[C@@H](N[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331884481 281319023 /nfs/dbraw/zinc/31/90/23/281319023.db2.gz CHUKHSBSDPZXKI-IAQYHMDHSA-N 1 0 289.379 2.659 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)C[C@@H]1C ZINC000526989511 281322435 /nfs/dbraw/zinc/32/24/35/281322435.db2.gz MJDKUNWMZSNEQS-QWRGUYRKSA-N 1 0 264.325 2.976 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000531973541 281443678 /nfs/dbraw/zinc/44/36/78/281443678.db2.gz XWEDUHGPXYHYPD-WFASDCNBSA-N 1 0 278.352 2.980 20 5 CFBDRO CCC[C@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000537207515 281533134 /nfs/dbraw/zinc/53/31/34/281533134.db2.gz SNSSQKOMJWQEHR-ZDUSSCGKSA-N 1 0 292.383 2.548 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000562293890 282072467 /nfs/dbraw/zinc/07/24/67/282072467.db2.gz YQMIGFRCGIGINA-GXFFZTMASA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000285360329 288709515 /nfs/dbraw/zinc/70/95/15/288709515.db2.gz AHKPZPXGNWPEHS-CJNGLKHVSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@H](F)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000340458421 289759911 /nfs/dbraw/zinc/75/99/11/289759911.db2.gz GHDDNSMIXQLUPO-SDDRHHMPSA-N 1 0 284.335 2.613 20 5 CFBDRO COC(C)(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000404355614 290028805 /nfs/dbraw/zinc/02/88/05/290028805.db2.gz NATYAXPSWHSYBQ-UHFFFAOYSA-N 1 0 270.304 2.591 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000562467944 290045662 /nfs/dbraw/zinc/04/56/62/290045662.db2.gz KSBYDCYDUDAAKS-DZGCQCFKSA-N 1 0 278.352 2.985 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417996 290147275 /nfs/dbraw/zinc/14/72/75/290147275.db2.gz NVNWVSJGCKNFBR-JIMOISOXSA-N 1 0 278.377 2.923 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218285 290283813 /nfs/dbraw/zinc/28/38/13/290283813.db2.gz PKADFJULMXKFRE-HZMBPMFUSA-N 1 0 286.335 2.666 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566866080 290423629 /nfs/dbraw/zinc/42/36/29/290423629.db2.gz HTQSBVTWMSYXTL-GUTXKFCHSA-N 1 0 276.336 2.739 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123540 290440887 /nfs/dbraw/zinc/44/08/87/290440887.db2.gz LJAHRGOUJNKDOD-GIPNMCIBSA-N 1 0 264.325 2.595 20 5 CFBDRO Cn1cccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567290447 290452960 /nfs/dbraw/zinc/45/29/60/290452960.db2.gz FMMYOEWHSBKVKD-AWEZNQCLSA-N 1 0 271.320 2.710 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCOC1 ZINC000567405973 290461706 /nfs/dbraw/zinc/46/17/06/290461706.db2.gz CDFOLRGKRBLIAO-MJVIPROJSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000568879004 290575061 /nfs/dbraw/zinc/57/50/61/290575061.db2.gz DBBGLDUBMLDRKF-DZKIICNBSA-N 1 0 288.347 2.739 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361420312 295027955 /nfs/dbraw/zinc/02/79/55/295027955.db2.gz NBMZBFMRSDIEIP-AWEZNQCLSA-N 1 0 294.351 2.603 20 5 CFBDRO CCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000161923536 322358264 /nfs/dbraw/zinc/35/82/64/322358264.db2.gz ZFHDHMQOBKETAD-NSHDSACASA-N 1 0 252.314 2.590 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000165260953 322384685 /nfs/dbraw/zinc/38/46/85/322384685.db2.gz DZRNQXOLNJPDHE-CQDKDKBSSA-N 1 0 278.352 2.857 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](O)C(C)C ZINC000165422607 322385264 /nfs/dbraw/zinc/38/52/64/322385264.db2.gz FYHDJIZZLPKKAR-SWLSCSKDSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000166261386 322386018 /nfs/dbraw/zinc/38/60/18/322386018.db2.gz ZQFFMRFGHYXOFA-WBMJQRKESA-N 1 0 291.395 2.894 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000168935921 322389652 /nfs/dbraw/zinc/38/96/52/322389652.db2.gz ZHVMARHBUPODSM-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000171842223 322413636 /nfs/dbraw/zinc/41/36/36/322413636.db2.gz MCILLLSIUOJHPN-PMGBHYCQSA-N 1 0 278.352 2.605 20 5 CFBDRO CC[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000570283984 322524685 /nfs/dbraw/zinc/52/46/85/322524685.db2.gz XWSZPNFEIXSVPV-HUUCEWRRSA-N 1 0 292.379 2.931 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000571133071 322570318 /nfs/dbraw/zinc/57/03/18/322570318.db2.gz IBBFFAGDRIGKGX-SCDSUCTJSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000575167620 322720394 /nfs/dbraw/zinc/72/03/94/322720394.db2.gz KECROPCGXNCCBY-OAHLLOKOSA-N 1 0 298.342 2.997 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000183034133 323895204 /nfs/dbraw/zinc/89/52/04/323895204.db2.gz DOIFVOYQTFWLDX-NWDGAFQWSA-N 1 0 266.341 2.998 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CCCO ZINC000577976750 324803845 /nfs/dbraw/zinc/80/38/45/324803845.db2.gz NRRHORXONQJBRN-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000578185431 324824673 /nfs/dbraw/zinc/82/46/73/324824673.db2.gz CVHZWSQWURJGLF-CJNGLKHVSA-N 1 0 289.379 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCC23CC3)cc1 ZINC000579259292 324936783 /nfs/dbraw/zinc/93/67/83/324936783.db2.gz QJXFWUIGFNBXKN-AWEZNQCLSA-N 1 0 276.336 2.896 20 5 CFBDRO CS[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580581221 325049089 /nfs/dbraw/zinc/04/90/89/325049089.db2.gz HFVCFUCVGNFPHJ-BXKDBHETSA-N 1 0 266.366 2.923 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000581083361 325089371 /nfs/dbraw/zinc/08/93/71/325089371.db2.gz XNKDFMKOHKODLX-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000581097755 325089959 /nfs/dbraw/zinc/08/99/59/325089959.db2.gz ONAVBTBRWWHHGB-QWHCGFSZSA-N 1 0 278.352 2.980 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000581122358 325092582 /nfs/dbraw/zinc/09/25/82/325092582.db2.gz CYGJLTJFHFOIIO-UHFFFAOYSA-N 1 0 295.770 2.828 20 5 CFBDRO CC(C)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581705341 325143542 /nfs/dbraw/zinc/14/35/42/325143542.db2.gz UBVSGQMKEQWCKH-LBPRGKRZSA-N 1 0 293.367 2.948 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000582915520 325245202 /nfs/dbraw/zinc/24/52/02/325245202.db2.gz PFTXJOIVZWXFRD-HUBLWGQQSA-N 1 0 290.363 2.723 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583574608 325298211 /nfs/dbraw/zinc/29/82/11/325298211.db2.gz FAZLHLXMPBNOSW-ZDUSSCGKSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ncco2)CC1 ZINC000829056351 782119049 /nfs/dbraw/zinc/11/90/49/782119049.db2.gz MFYQRNFXQSCDKK-UHFFFAOYSA-N 1 0 287.319 2.962 20 5 CFBDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000097928853 533833168 /nfs/dbraw/zinc/83/31/68/533833168.db2.gz SCKRMYVQQAZOED-LBPRGKRZSA-N 1 0 277.368 2.730 20 5 CFBDRO CC(C)(O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278660571 517402605 /nfs/dbraw/zinc/40/26/05/517402605.db2.gz IRZMMGAMCYDMHA-CQSZACIVSA-N 1 0 278.352 2.723 20 5 CFBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361239648 520292985 /nfs/dbraw/zinc/29/29/85/520292985.db2.gz WSDQYZKQGFCVFH-HZRUHFOJSA-N 1 0 276.336 2.719 20 5 CFBDRO CCCC[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163522446 520411378 /nfs/dbraw/zinc/41/13/78/520411378.db2.gz YWWJWSQRQFHERH-CYBMUJFWSA-N 1 0 279.384 2.977 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])c(C)n1 ZINC000190966198 520595424 /nfs/dbraw/zinc/59/54/24/520595424.db2.gz URNNYEFEGIJDGQ-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000054614384 520630853 /nfs/dbraw/zinc/63/08/53/520630853.db2.gz JBVGHECKUAFANQ-GFCCVEGCSA-N 1 0 280.372 2.912 20 5 CFBDRO CCC[C@H]([NH2+]CC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982737 521158006 /nfs/dbraw/zinc/15/80/06/521158006.db2.gz ATBXIQUQJQSFKW-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccco1 ZINC000337885419 521281269 /nfs/dbraw/zinc/28/12/69/521281269.db2.gz XNCVAWPIFSGYOD-UHFFFAOYSA-N 1 0 290.319 2.919 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000142085227 522361879 /nfs/dbraw/zinc/36/18/79/522361879.db2.gz HPCCKKCGISOPCP-WOPDTQHZSA-N 1 0 293.367 2.946 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159099375 522525338 /nfs/dbraw/zinc/52/53/38/522525338.db2.gz SEKIZRAXTXSPOM-GJZGRUSLSA-N 1 0 292.379 2.667 20 5 CFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000055904469 522781788 /nfs/dbraw/zinc/78/17/88/522781788.db2.gz GXAKWOXLKQTLBQ-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000062010291 522869337 /nfs/dbraw/zinc/86/93/37/522869337.db2.gz RDRLGAHCOXKMAV-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000305086487 522948040 /nfs/dbraw/zinc/94/80/40/522948040.db2.gz OEFKPGUOJPGPKF-UHFFFAOYSA-N 1 0 292.379 2.620 20 5 CFBDRO CO[C@@H](C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338703976 523398873 /nfs/dbraw/zinc/39/88/73/523398873.db2.gz BDPISPCBIMMHFG-HWPRWLFBSA-N 1 0 264.325 2.623 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182444227 523422937 /nfs/dbraw/zinc/42/29/37/523422937.db2.gz AJHBCTNDGUFXEZ-WDEREUQCSA-N 1 0 252.314 2.589 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000234817831 523773550 /nfs/dbraw/zinc/77/35/50/523773550.db2.gz TXOIIYCSCHUOJM-UONOGXRCSA-N 1 0 278.352 2.540 20 5 CFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072926297 523814589 /nfs/dbraw/zinc/81/45/89/523814589.db2.gz RNISOGSICLXKIC-ZFWWWQNUSA-N 1 0 278.352 2.888 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000227831085 524087166 /nfs/dbraw/zinc/08/71/66/524087166.db2.gz LJVSQVBLTJOOCL-KGLIPLIRSA-N 1 0 294.351 2.507 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)C[NH+]1CCCCC1 ZINC000053297463 524508496 /nfs/dbraw/zinc/50/84/96/524508496.db2.gz VWAQYJUJRBMIJR-GFCCVEGCSA-N 1 0 278.356 2.524 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000062726590 524579070 /nfs/dbraw/zinc/57/90/70/524579070.db2.gz GUEMZIVIONEUGR-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000315175759 524579675 /nfs/dbraw/zinc/57/96/75/524579675.db2.gz YQQAUKAQUXRMLJ-DZGCQCFKSA-N 1 0 292.379 2.792 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000230667313 524581085 /nfs/dbraw/zinc/58/10/85/524581085.db2.gz ZENWUPSMUQIBJO-JSGCOSHPSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000057591057 524585842 /nfs/dbraw/zinc/58/58/42/524585842.db2.gz TZKZWHPEQPVQQG-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230313728 524599726 /nfs/dbraw/zinc/59/97/26/524599726.db2.gz SGAFSKBEYWASCH-HIFRSBDPSA-N 1 0 276.336 2.560 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000173495475 524954433 /nfs/dbraw/zinc/95/44/33/524954433.db2.gz OORYEZSVRBWLJY-GFCCVEGCSA-N 1 0 294.351 2.857 20 5 CFBDRO Cc1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000311104976 525281995 /nfs/dbraw/zinc/28/19/95/525281995.db2.gz LBAXBTVMRYOPOK-NSHDSACASA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156703669 525352965 /nfs/dbraw/zinc/35/29/65/525352965.db2.gz BBLFBEZZRZLULC-KGLIPLIRSA-N 1 0 291.395 2.977 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)c1 ZINC000338711769 525451045 /nfs/dbraw/zinc/45/10/45/525451045.db2.gz ARLXDBIKKLBSIU-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365848572 525562600 /nfs/dbraw/zinc/56/26/00/525562600.db2.gz RLPNPAGZHAETLY-OAHLLOKOSA-N 1 0 286.335 2.547 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365848571 525567124 /nfs/dbraw/zinc/56/71/24/525567124.db2.gz RLPNPAGZHAETLY-HNNXBMFYSA-N 1 0 286.335 2.547 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000312466374 525610145 /nfs/dbraw/zinc/61/01/45/525610145.db2.gz QNVIKGNRWKGJFY-SCRDCRAPSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c(C[NH2+]Cc2cccn2C)cccc1[N+](=O)[O-] ZINC000231884570 525724169 /nfs/dbraw/zinc/72/41/69/525724169.db2.gz YLFKDVWKBJISPT-UHFFFAOYSA-N 1 0 259.309 2.532 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000305128809 525728192 /nfs/dbraw/zinc/72/81/92/525728192.db2.gz JGQOLIXWGAOTAC-DOMZBBRYSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000162715429 526059988 /nfs/dbraw/zinc/05/99/88/526059988.db2.gz OEHAUBFGCFWZOZ-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cnc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361264227 526089884 /nfs/dbraw/zinc/08/98/84/526089884.db2.gz YEEBXKPZPTWRBS-BETUJISGSA-N 1 0 292.383 2.973 20 5 CFBDRO COc1cccc(NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000360965694 526208781 /nfs/dbraw/zinc/20/87/81/526208781.db2.gz IGPYQLFXNHMEML-UHFFFAOYSA-N 1 0 291.351 2.667 20 5 CFBDRO COc1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000134928146 526211280 /nfs/dbraw/zinc/21/12/80/526211280.db2.gz PBMPCXMFOGZRHX-NWDGAFQWSA-N 1 0 291.351 2.642 20 5 CFBDRO Cc1c[nH+]ccc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000070489587 526241521 /nfs/dbraw/zinc/24/15/21/526241521.db2.gz JLICWUYSIHZYAR-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCOCC1 ZINC000050443474 527332434 /nfs/dbraw/zinc/33/24/34/527332434.db2.gz VTJWZMJZXBUCCR-UHFFFAOYSA-N 1 0 270.716 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCC2)c(Cl)c1 ZINC000160148683 527350952 /nfs/dbraw/zinc/35/09/52/527350952.db2.gz YIBBYGVNPBXUSZ-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000230147394 527351561 /nfs/dbraw/zinc/35/15/61/527351561.db2.gz RNFTYCWKEYXJBK-KGLIPLIRSA-N 1 0 296.754 2.905 20 5 CFBDRO [NH3+][C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000157432866 527376155 /nfs/dbraw/zinc/37/61/55/527376155.db2.gz FQDNDRLDSAKGPX-HUUCEWRRSA-N 1 0 283.331 2.829 20 5 CFBDRO [NH3+][C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000157432553 527419195 /nfs/dbraw/zinc/41/91/95/527419195.db2.gz FQDNDRLDSAKGPX-LSDHHAIUSA-N 1 0 283.331 2.829 20 5 CFBDRO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414519555 528095318 /nfs/dbraw/zinc/09/53/18/528095318.db2.gz BJPUCCXRJCXNGF-GXTWGEPZSA-N 1 0 292.379 2.921 20 5 CFBDRO CC(C)c1ccc(CNC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414902964 528099988 /nfs/dbraw/zinc/09/99/88/528099988.db2.gz ZAKZDHLQZITXSA-AWEZNQCLSA-N 1 0 277.368 2.545 20 5 CFBDRO CC(C)c1ccc(CN[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414811018 528101488 /nfs/dbraw/zinc/10/14/88/528101488.db2.gz VWVDSPPIJVCVNQ-CQSZACIVSA-N 1 0 277.368 2.545 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265310 528312741 /nfs/dbraw/zinc/31/27/41/528312741.db2.gz QUERPOLDCDTCNP-BBRMVZONSA-N 1 0 291.395 2.935 20 5 CFBDRO CCC([NH3+])(CC)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423289959 528951129 /nfs/dbraw/zinc/95/11/29/528951129.db2.gz YRKLQSQRCMJQCC-NSHDSACASA-N 1 0 265.357 2.763 20 5 CFBDRO CCCC[C@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298276 528955734 /nfs/dbraw/zinc/95/57/34/528955734.db2.gz NWYOCMUPIBIVFR-WCQYABFASA-N 1 0 265.357 2.763 20 5 CFBDRO CCC[C@@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311286 529010040 /nfs/dbraw/zinc/01/00/40/529010040.db2.gz BRPWEQVEGZSCBC-HUUCEWRRSA-N 1 0 277.368 2.763 20 5 CFBDRO CCC[C@@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423241653 529011444 /nfs/dbraw/zinc/01/14/44/529011444.db2.gz VARZMTAMIVTIGN-DZGCQCFKSA-N 1 0 277.368 2.778 20 5 CFBDRO CCC[C@@H](N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283828 529021737 /nfs/dbraw/zinc/02/17/37/529021737.db2.gz WJCLEXUBNHUYJE-HUUCEWRRSA-N 1 0 277.368 2.763 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131861163 529332289 /nfs/dbraw/zinc/33/22/89/529332289.db2.gz XHUBWOPSINBJAD-WCQYABFASA-N 1 0 266.341 2.715 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449633538 536552561 /nfs/dbraw/zinc/55/25/61/536552561.db2.gz UMDSEHKVALLXNA-WQGACYEGSA-N 1 0 292.379 2.929 20 5 CFBDRO CC[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000499943760 535603749 /nfs/dbraw/zinc/60/37/49/535603749.db2.gz DXZNUUCGNIMYPW-MNOVXSKESA-N 1 0 279.340 2.700 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000452009690 535753154 /nfs/dbraw/zinc/75/31/54/535753154.db2.gz BOQMDBCPVQKHPV-HUUCEWRRSA-N 1 0 294.351 2.521 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000459796807 536796629 /nfs/dbraw/zinc/79/66/29/536796629.db2.gz WIZIGJKMFCKPQG-HUUCEWRRSA-N 1 0 290.363 2.950 20 5 CFBDRO COCCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000355465608 536865134 /nfs/dbraw/zinc/86/51/34/536865134.db2.gz BPCLOOKZGNGZDQ-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000727824114 574066459 /nfs/dbraw/zinc/06/64/59/574066459.db2.gz MCMZOAVKLJFEIN-GFCCVEGCSA-N 1 0 274.324 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000730805957 574097723 /nfs/dbraw/zinc/09/77/23/574097723.db2.gz FRUHKNZQEQAUQO-CYBMUJFWSA-N 1 0 293.342 2.799 20 5 CFBDRO CCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899590 574135372 /nfs/dbraw/zinc/13/53/72/574135372.db2.gz IRPTZTSHOLTBCN-UHFFFAOYSA-N 1 0 274.324 2.758 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000746754979 574165261 /nfs/dbraw/zinc/16/52/61/574165261.db2.gz NXUPESVHNXHGQH-UONOGXRCSA-N 1 0 278.352 2.950 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000746754976 574165391 /nfs/dbraw/zinc/16/53/91/574165391.db2.gz NXUPESVHNXHGQH-KGLIPLIRSA-N 1 0 278.352 2.950 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000747223025 574187956 /nfs/dbraw/zinc/18/79/56/574187956.db2.gz IVAVPISPRYHJIP-NXEZZACHSA-N 1 0 297.330 2.637 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165375 574277981 /nfs/dbraw/zinc/27/79/81/574277981.db2.gz XVZQPXWEISSXAS-AWEZNQCLSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000741260118 574285238 /nfs/dbraw/zinc/28/52/38/574285238.db2.gz DXOYZXWBWWFILS-CQSZACIVSA-N 1 0 290.319 2.628 20 5 CFBDRO Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749641404 574303733 /nfs/dbraw/zinc/30/37/33/574303733.db2.gz YJYYFNQTIFIUEN-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056154 574322541 /nfs/dbraw/zinc/32/25/41/574322541.db2.gz YBEKQHVELCOXRO-GXTWGEPZSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076113 574387655 /nfs/dbraw/zinc/38/76/55/574387655.db2.gz NXAODWOARRKHNV-AOOOYVTPSA-N 1 0 252.289 2.822 20 5 CFBDRO Cc1c(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000049565062 617611341 /nfs/dbraw/zinc/61/13/41/617611341.db2.gz YRVZHIFNDYPEPR-GDBMZVCRSA-N 1 0 289.379 2.620 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932348539 617678932 /nfs/dbraw/zinc/67/89/32/617678932.db2.gz GNDHEGYWVXCRIR-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO CCCCOC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000051383102 617975377 /nfs/dbraw/zinc/97/53/77/617975377.db2.gz IUAWGJDAHACOMH-UHFFFAOYSA-N 1 0 294.351 2.760 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000934398383 618031064 /nfs/dbraw/zinc/03/10/64/618031064.db2.gz YZOKMDPKPYKDLS-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000235076694 618073942 /nfs/dbraw/zinc/07/39/42/618073942.db2.gz OETHHHHTVJPGBU-MRVWCRGKSA-N 1 0 296.392 2.502 20 5 CFBDRO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893327655 618366873 /nfs/dbraw/zinc/36/68/73/618366873.db2.gz DLGLKGFFFYURRH-CMPLNLGQSA-N 1 0 299.168 2.858 20 5 CFBDRO CC[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(=O)OC ZINC000895138813 618368805 /nfs/dbraw/zinc/36/88/05/618368805.db2.gz ICIQFUILCNMQSH-LBPRGKRZSA-N 1 0 294.351 2.500 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000062351037 618375690 /nfs/dbraw/zinc/37/56/90/618375690.db2.gz GLEISPVGKYBEDS-QGZVFWFLSA-N 1 0 298.342 2.687 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CO)cc1Cl ZINC000895149902 618392560 /nfs/dbraw/zinc/39/25/60/618392560.db2.gz CQDKBEIIRIELMZ-LBPRGKRZSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1nn(C[N@H+](C)CC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000074067989 618406600 /nfs/dbraw/zinc/40/66/00/618406600.db2.gz WZPVQOBCVCEDHI-UHFFFAOYSA-N 1 0 280.372 2.878 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000235746344 618431108 /nfs/dbraw/zinc/43/11/08/618431108.db2.gz OWQHOEIQGKCUOZ-JOYOIKCWSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cc(C[C@H]2CCC[NH2+]C2)on1 ZINC000901396747 620805428 /nfs/dbraw/zinc/80/54/28/620805428.db2.gz XJGURGKLVKOIIA-LLVKDONJSA-N 1 0 287.319 2.792 20 5 CFBDRO CCCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000074172599 618442669 /nfs/dbraw/zinc/44/26/69/618442669.db2.gz NNMMPKHKTFMNJM-UHFFFAOYSA-N 1 0 262.313 2.634 20 5 CFBDRO CC1=NO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895306328 618522471 /nfs/dbraw/zinc/52/24/71/618522471.db2.gz CNFQDJCQVTVOLV-SNVBAGLBSA-N 1 0 283.715 2.503 20 5 CFBDRO CC[C@H](C)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895334289 618536921 /nfs/dbraw/zinc/53/69/21/618536921.db2.gz PJRCBBDIHOXMQQ-JTQLQIEISA-N 1 0 282.340 2.835 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177874062 618610502 /nfs/dbraw/zinc/61/05/02/618610502.db2.gz WMZKNBSRYNTKOP-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833643 618729626 /nfs/dbraw/zinc/72/96/26/618729626.db2.gz AKANMBVZJFONRA-ZPFDUUQYSA-N 1 0 264.325 2.669 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2(C(C)C)CC2)c1[N+](=O)[O-] ZINC000893096753 618830252 /nfs/dbraw/zinc/83/02/52/618830252.db2.gz TVLJIJUHKULILI-UHFFFAOYSA-N 1 0 294.351 2.835 20 5 CFBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893107368 618834584 /nfs/dbraw/zinc/83/45/84/618834584.db2.gz BAZBVHHNWWFHOI-CMPLNLGQSA-N 1 0 294.351 2.977 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313046897 618973322 /nfs/dbraw/zinc/97/33/22/618973322.db2.gz WZFXWMOYNFDXNV-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000313056448 618973653 /nfs/dbraw/zinc/97/36/53/618973653.db2.gz BFZSLOSKYGOVER-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO CCOC(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000093446874 619023418 /nfs/dbraw/zinc/02/34/18/619023418.db2.gz RSCOQWAXBKDAAX-LLVKDONJSA-N 1 0 282.340 2.645 20 5 CFBDRO C[C@@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730147 619031448 /nfs/dbraw/zinc/03/14/48/619031448.db2.gz NWVZRTIZEUTHRR-HONMWMINSA-N 1 0 275.352 2.515 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000072916925 619083545 /nfs/dbraw/zinc/08/35/45/619083545.db2.gz KUVYGCSLOXLVOM-ZDUSSCGKSA-N 1 0 280.372 2.734 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893866562 619231301 /nfs/dbraw/zinc/23/13/01/619231301.db2.gz JGCFOYNLFKCYSV-KOLCDFICSA-N 1 0 280.324 2.587 20 5 CFBDRO Cc1n[nH]c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000894679716 619441436 /nfs/dbraw/zinc/44/14/36/619441436.db2.gz SZLSCMYTUASFDZ-UHFFFAOYSA-N 1 0 288.351 2.609 20 5 CFBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895737494 619598119 /nfs/dbraw/zinc/59/81/19/619598119.db2.gz WMXOHBXPFFNSRB-ZYHUDNBSSA-N 1 0 291.351 2.692 20 5 CFBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000896254330 619703286 /nfs/dbraw/zinc/70/32/86/619703286.db2.gz IYZORIQVTIPXIE-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO C[C@@H]([NH2+]C1CC(n2cccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896509270 619747125 /nfs/dbraw/zinc/74/71/25/619747125.db2.gz CNZSUMKGIIFLOR-NUYPLMSZSA-N 1 0 286.335 2.846 20 5 CFBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000896924734 619892134 /nfs/dbraw/zinc/89/21/34/619892134.db2.gz UGGPRKKDVVZMFH-HNNXBMFYSA-N 1 0 278.352 2.686 20 5 CFBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155560 619994215 /nfs/dbraw/zinc/99/42/15/619994215.db2.gz WHVUEWAMRZAACJ-CABCVRRESA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461731 620176750 /nfs/dbraw/zinc/17/67/50/620176750.db2.gz WSCDSBXZJJORBL-FFSVYQOJSA-N 1 0 290.363 2.855 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897465820 620177016 /nfs/dbraw/zinc/17/70/16/620177016.db2.gz ISGSUQPHOGBYQO-CHWSQXEVSA-N 1 0 278.352 2.857 20 5 CFBDRO COCC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466030 620177046 /nfs/dbraw/zinc/17/70/46/620177046.db2.gz MQORUGPGRQCKQU-NWDGAFQWSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1nnsc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464994 620177146 /nfs/dbraw/zinc/17/71/46/620177146.db2.gz QCBLFFSNPAWNDF-SECBINFHSA-N 1 0 292.364 2.648 20 5 CFBDRO CC[C@H](COC)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465394 620177157 /nfs/dbraw/zinc/17/71/57/620177157.db2.gz VKTXNWJEEYXOFY-NWDGAFQWSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@@H](C[NH2+]CC1(F)CC1)c1ccccc1[N+](=O)[O-] ZINC000897463038 620177158 /nfs/dbraw/zinc/17/71/58/620177158.db2.gz AIMKPFYBOAKJDN-JTQLQIEISA-N 1 0 252.289 2.790 20 5 CFBDRO Cc1nn(C)cc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466562 620177450 /nfs/dbraw/zinc/17/74/50/620177450.db2.gz XLQMZNILHVIIME-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897823474 620290170 /nfs/dbraw/zinc/29/01/70/620290170.db2.gz YRWWYZVVLHFJQW-UVHGVLLISA-N 1 0 294.738 2.514 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cs1 ZINC000897952888 620310004 /nfs/dbraw/zinc/31/00/04/620310004.db2.gz KWBFELNTZVFSPN-GMTAPVOTSA-N 1 0 252.339 2.935 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cs1 ZINC000897952889 620310139 /nfs/dbraw/zinc/31/01/39/620310139.db2.gz KWBFELNTZVFSPN-HBNTYKKESA-N 1 0 252.339 2.935 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C1CC1 ZINC000898204420 620344408 /nfs/dbraw/zinc/34/44/08/620344408.db2.gz UDIMMTNLHBTALE-HMWXGYMHSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898375284 620377362 /nfs/dbraw/zinc/37/73/62/620377362.db2.gz CPHNXEUBKLLYPL-QLFBSQMISA-N 1 0 288.347 2.597 20 5 CFBDRO Cc1cc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1C ZINC000926914095 620419819 /nfs/dbraw/zinc/41/98/19/620419819.db2.gz HDVSYPOKIUQZEC-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C\Cl ZINC000898432045 620463323 /nfs/dbraw/zinc/46/33/23/620463323.db2.gz DXOLLZDPGNIUNL-ATRZURONSA-N 1 0 297.742 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(COc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000899589885 620584495 /nfs/dbraw/zinc/58/44/95/620584495.db2.gz WBCUFYFCRDTIAY-UHFFFAOYSA-N 1 0 298.342 2.862 20 5 CFBDRO O=[N+]([O-])c1cn(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C1CC1 ZINC000899630223 620588465 /nfs/dbraw/zinc/58/84/65/620588465.db2.gz QMFKZCSYUFJZLK-VGPLMAKISA-N 1 0 290.367 2.589 20 5 CFBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]C2)c(F)c1F ZINC000899629707 620588572 /nfs/dbraw/zinc/58/85/72/620588572.db2.gz INEXTHNRQDBXJJ-SECBINFHSA-N 1 0 286.278 2.642 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000902445982 621083468 /nfs/dbraw/zinc/08/34/68/621083468.db2.gz NNYNBEYOTRIOER-BXUZGUMPSA-N 1 0 277.368 2.552 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC2CC2)cc([N+](=O)[O-])c1 ZINC000903067408 621239304 /nfs/dbraw/zinc/23/93/04/621239304.db2.gz PLDKMHXQOOGFNK-VIFPVBQESA-N 1 0 250.298 2.664 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903076179 621243514 /nfs/dbraw/zinc/24/35/14/621243514.db2.gz LCYKRPLDERMDOC-DGCLKSJQSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903083349 621246382 /nfs/dbraw/zinc/24/63/82/621246382.db2.gz FOMXSUWVHDMRJC-SMDDNHRTSA-N 1 0 296.367 2.661 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)C ZINC000903100388 621252598 /nfs/dbraw/zinc/25/25/98/621252598.db2.gz RIAQISDMBYVLOY-XHDPSFHLSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903103072 621254092 /nfs/dbraw/zinc/25/40/92/621254092.db2.gz DIKQFJJIQFEJLB-SDDRHHMPSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CCO)cc([N+](=O)[O-])c1 ZINC000903104934 621254467 /nfs/dbraw/zinc/25/44/67/621254467.db2.gz ZDVNLAGDVWRPKL-LLVKDONJSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](OC)C(C)C)cc([N+](=O)[O-])c1 ZINC000903104468 621254601 /nfs/dbraw/zinc/25/46/01/621254601.db2.gz IPIIIEXUMUZSSI-XHDPSFHLSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000903130854 621263357 /nfs/dbraw/zinc/26/33/57/621263357.db2.gz FLEPFKUKVVCUJD-DGCLKSJQSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCC[C@@H](C)CO)cc([N+](=O)[O-])c1 ZINC000903129887 621263501 /nfs/dbraw/zinc/26/35/01/621263501.db2.gz JIHRSHBLLZROCI-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903159374 621270885 /nfs/dbraw/zinc/27/08/85/621270885.db2.gz HBNXCPUHYMMDKS-ZETOZRRWSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903172325 621274334 /nfs/dbraw/zinc/27/43/34/621274334.db2.gz YAJVAGHZYLTLSZ-YPMHNXCESA-N 1 0 296.367 2.519 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903182747 621277594 /nfs/dbraw/zinc/27/75/94/621277594.db2.gz GISHQYRUKUSEKJ-HCKVZZMMSA-N 1 0 294.351 2.822 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903196804 621281821 /nfs/dbraw/zinc/28/18/21/621281821.db2.gz RPTZDSUFGHQJKX-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186730 621285448 /nfs/dbraw/zinc/28/54/48/621285448.db2.gz SVGUMEJWPDBOHN-NEPJUHHUSA-N 1 0 296.367 2.927 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903210133 621289040 /nfs/dbraw/zinc/28/90/40/621289040.db2.gz SYLOLXCQULHUFZ-KIGUWFBYSA-N 1 0 294.351 2.820 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000903244785 621295934 /nfs/dbraw/zinc/29/59/34/621295934.db2.gz DIZREGCQZDPPOJ-RYUDHWBXSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H](C[NH2+]C1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000903245169 621296500 /nfs/dbraw/zinc/29/65/00/621296500.db2.gz JKSPNBTVIAXPSG-HIFPTAJRSA-N 1 0 278.352 2.591 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903285422 621305727 /nfs/dbraw/zinc/30/57/27/621305727.db2.gz ZVPOJJSUUNBPLI-KFKJRKHASA-N 1 0 292.310 2.560 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000903300306 621314371 /nfs/dbraw/zinc/31/43/71/621314371.db2.gz GTOLMVVRTXCCKB-OBJOEFQTSA-N 1 0 277.368 2.646 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000903286963 621318501 /nfs/dbraw/zinc/31/85/01/621318501.db2.gz KVHCWRITJUNFBI-JTNHKYCSSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288338 621318881 /nfs/dbraw/zinc/31/88/81/621318881.db2.gz YANPDNONDNKDBL-CHWSQXEVSA-N 1 0 288.351 2.921 20 5 CFBDRO CN1CC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903317861 621330711 /nfs/dbraw/zinc/33/07/11/621330711.db2.gz VPCQMSMFZWNSBV-ZBFHGGJFSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1C ZINC000903395248 621353737 /nfs/dbraw/zinc/35/37/37/621353737.db2.gz KIEXOKCJIKEXQR-OUCADQQQSA-N 1 0 278.352 2.540 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000903407297 621362467 /nfs/dbraw/zinc/36/24/67/621362467.db2.gz NORTUTGTDXJRSE-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO CCC1([NH3+])CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000903947528 621485075 /nfs/dbraw/zinc/48/50/75/621485075.db2.gz ZYJBCRHXHHPQTP-ALCCZGGFSA-N 1 0 289.379 2.811 20 5 CFBDRO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988024 621499524 /nfs/dbraw/zinc/49/95/24/621499524.db2.gz MSBCVIYAKMJYLS-BZPMIXESSA-N 1 0 277.368 2.776 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccnnc1)c1cccc([N+](=O)[O-])c1 ZINC000924800603 621628959 /nfs/dbraw/zinc/62/89/59/621628959.db2.gz ZLHOZOMCNNUDBE-MNOVXSKESA-N 1 0 272.308 2.797 20 5 CFBDRO CC1(c2ccccc2)CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905176989 621718897 /nfs/dbraw/zinc/71/88/97/621718897.db2.gz VEEKYYLERGQEAJ-UHFFFAOYSA-N 1 0 262.353 2.753 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000905248196 621727172 /nfs/dbraw/zinc/72/71/72/621727172.db2.gz OGSASDFLTZVMNC-LSDHHAIUSA-N 1 0 256.305 2.562 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@]23C[C@@H]2CCCC3)cc1 ZINC000905507405 621783219 /nfs/dbraw/zinc/78/32/19/621783219.db2.gz BIVMWOKBGOHKIL-NUEKZKHPSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]23C[C@H]2CCCC3)cc1 ZINC000905507402 621783222 /nfs/dbraw/zinc/78/32/22/621783222.db2.gz BIVMWOKBGOHKIL-BMFZPTHFSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]23C[C@H]2CCCC3)c1 ZINC000905510255 621783553 /nfs/dbraw/zinc/78/35/53/621783553.db2.gz SRSLEZVQZMWSDH-BMFZPTHFSA-N 1 0 290.363 2.798 20 5 CFBDRO CCc1ccc2ccccc2c1C[NH2+]CC[N+](=O)[O-] ZINC000905569003 621793366 /nfs/dbraw/zinc/79/33/66/621793366.db2.gz OWSVRSSICYHOPD-UHFFFAOYSA-N 1 0 258.321 2.769 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2CC=CC2)c1 ZINC000905578566 621797187 /nfs/dbraw/zinc/79/71/87/621797187.db2.gz IZQOHWISHSBKHY-HNNXBMFYSA-N 1 0 276.336 2.574 20 5 CFBDRO O=[N+]([O-])c1ccc(CO)c(-c2cncc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000906172713 621944037 /nfs/dbraw/zinc/94/40/37/621944037.db2.gz SYBOUUMOOHMHQP-INIZCTEOSA-N 1 0 299.330 2.574 20 5 CFBDRO Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1[N+](=O)[O-] ZINC000906174016 621944495 /nfs/dbraw/zinc/94/44/95/621944495.db2.gz VNOQXGTWTXWCGF-CYBMUJFWSA-N 1 0 284.319 2.785 20 5 CFBDRO CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000071809393 625563964 /nfs/dbraw/zinc/56/39/64/625563964.db2.gz HOXNKFMEKROQCS-UHFFFAOYSA-N 1 0 263.341 2.517 20 5 CFBDRO Cc1ccc(NC(=O)C[C@@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000911907355 622581089 /nfs/dbraw/zinc/58/10/89/622581089.db2.gz YLMNDWDXMJUFRZ-NSHDSACASA-N 1 0 279.340 2.605 20 5 CFBDRO CC(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000164828724 622969035 /nfs/dbraw/zinc/96/90/35/622969035.db2.gz OZPJKKJRKLXDIE-UHFFFAOYSA-N 1 0 273.130 2.855 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000224415688 623003319 /nfs/dbraw/zinc/00/33/19/623003319.db2.gz BEICYZFPTKDMJZ-VHRBIJSZSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000823069514 623227589 /nfs/dbraw/zinc/22/75/89/623227589.db2.gz ORAOOPXHCWPCQY-SFYZADRCSA-N 1 0 294.336 2.767 20 5 CFBDRO CC(C)[C@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)[C@@H](C)[NH3+] ZINC000823070101 623228159 /nfs/dbraw/zinc/22/81/59/623228159.db2.gz ZAARDMKSHKVVPX-XCBNKYQSSA-N 1 0 296.352 2.793 20 5 CFBDRO CCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000171603592 623232677 /nfs/dbraw/zinc/23/26/77/623232677.db2.gz RNJMHCSWCXPEDO-UHFFFAOYSA-N 1 0 274.324 2.776 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249949 623271732 /nfs/dbraw/zinc/27/17/32/623271732.db2.gz NKYCNSBEHXHXQT-CABCVRRESA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000230416938 623275193 /nfs/dbraw/zinc/27/51/93/623275193.db2.gz UVEGAGRVLCDDFO-LALPHHSUSA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823270114 623280619 /nfs/dbraw/zinc/28/06/19/623280619.db2.gz NDOKUMOWVWFZJZ-LBPRGKRZSA-N 1 0 288.307 2.768 20 5 CFBDRO COC(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885761 623373340 /nfs/dbraw/zinc/37/33/40/623373340.db2.gz GMYXZCDIZXRBBI-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCC=CO2)cccc1[N+](=O)[O-] ZINC000231884138 623373548 /nfs/dbraw/zinc/37/35/48/623373548.db2.gz DBDACVWJQZKVNS-ZDUSSCGKSA-N 1 0 262.309 2.686 20 5 CFBDRO Cc1c(C[NH2+]C[C@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000094802017 623558274 /nfs/dbraw/zinc/55/82/74/623558274.db2.gz OPXRPLLUDGWBLB-AWEZNQCLSA-N 1 0 264.325 2.562 20 5 CFBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)C1O ZINC000827152060 623955073 /nfs/dbraw/zinc/95/50/73/623955073.db2.gz PWTKXZVILSINQC-UWVGGRQHSA-N 1 0 298.770 2.697 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000827601210 624043204 /nfs/dbraw/zinc/04/32/04/624043204.db2.gz CPYLBLAUUJJNKQ-NEPJUHHUSA-N 1 0 296.754 2.717 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000324515958 624153359 /nfs/dbraw/zinc/15/33/59/624153359.db2.gz VEVOAPBJVMOZMY-GFCCVEGCSA-N 1 0 279.296 2.781 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000832186740 625240155 /nfs/dbraw/zinc/24/01/55/625240155.db2.gz FTBPWVCFFYZBDU-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074756 625262720 /nfs/dbraw/zinc/26/27/20/625262720.db2.gz SRKHWNXMFKJVRW-QWRGUYRKSA-N 1 0 297.786 2.807 20 5 CFBDRO CC(C)(C)C1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000840763731 625910494 /nfs/dbraw/zinc/91/04/94/625910494.db2.gz KHTMVJMJHFDYTB-CQSZACIVSA-N 1 0 278.352 2.606 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000922644234 626330371 /nfs/dbraw/zinc/33/03/71/626330371.db2.gz ZMLCJEUVHWMDJT-FZMZJTMJSA-N 1 0 278.352 2.843 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CSCCS2)cccc1[N+](=O)[O-] ZINC000229605166 626410833 /nfs/dbraw/zinc/41/08/33/626410833.db2.gz IQLSJZMLQUFWMQ-LBPRGKRZSA-N 1 0 298.433 2.841 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cs1 ZINC000923028406 626444841 /nfs/dbraw/zinc/44/48/41/626444841.db2.gz WLARPUKSKVBWJT-NSHDSACASA-N 1 0 282.365 2.848 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536266 626478969 /nfs/dbraw/zinc/47/89/69/626478969.db2.gz AZLMCNRKVNXADQ-BBRMVZONSA-N 1 0 289.379 2.874 20 5 CFBDRO C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000839197224 626531952 /nfs/dbraw/zinc/53/19/52/626531952.db2.gz VOTXSUALPAZZAB-VIFPVBQESA-N 1 0 294.742 2.833 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000749321202 626540663 /nfs/dbraw/zinc/54/06/63/626540663.db2.gz GZTQXTKCTNASNT-SECBINFHSA-N 1 0 285.294 2.769 20 5 CFBDRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658366 626549769 /nfs/dbraw/zinc/54/97/69/626549769.db2.gz LXVGVHNZXCRIEU-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521090 626842259 /nfs/dbraw/zinc/84/22/59/626842259.db2.gz JGNJINMNHRNDGA-SCZZXKLOSA-N 1 0 254.717 2.994 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765438471 627137658 /nfs/dbraw/zinc/13/76/58/627137658.db2.gz IVYSGXJMMXRNDK-VXGBXAGGSA-N 1 0 286.335 2.667 20 5 CFBDRO COc1ccc(C[NH2+]C2CC(C(F)F)C2)cc1[N+](=O)[O-] ZINC000769494521 627447680 /nfs/dbraw/zinc/44/76/80/627447680.db2.gz KAXZXHZDXFAKPH-UHFFFAOYSA-N 1 0 286.278 2.737 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000773017665 627769704 /nfs/dbraw/zinc/76/97/04/627769704.db2.gz SURISQCTQFSXAO-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774904465 627978117 /nfs/dbraw/zinc/97/81/17/627978117.db2.gz SWWCZEYQPKQGPN-ZJUUUORDSA-N 1 0 279.296 2.733 20 5 CFBDRO CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278817 628126087 /nfs/dbraw/zinc/12/60/87/628126087.db2.gz WAFDKTFMPFMRBJ-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000776581903 628160721 /nfs/dbraw/zinc/16/07/21/628160721.db2.gz OMYRTFKQOSOZPC-LSDHHAIUSA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776596433 628164135 /nfs/dbraw/zinc/16/41/35/628164135.db2.gz DGXVBCNAZZDDOH-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599230 628164230 /nfs/dbraw/zinc/16/42/30/628164230.db2.gz XODGVYFLMKFKGC-NJZAAPMLSA-N 1 0 278.352 2.891 20 5 CFBDRO C[N@H+](CC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954068 628266991 /nfs/dbraw/zinc/26/69/91/628266991.db2.gz QCTAVYNNMJFZCQ-UHFFFAOYSA-N 1 0 286.335 2.758 20 5 CFBDRO CC(C)([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000852078674 634645556 /nfs/dbraw/zinc/64/55/56/634645556.db2.gz TVRXXWPOUYZXJO-NSHDSACASA-N 1 0 294.351 2.571 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588609 628562509 /nfs/dbraw/zinc/56/25/09/628562509.db2.gz XIUYLZIFMLJSAQ-ABAIWWIYSA-N 1 0 292.383 2.878 20 5 CFBDRO Cc1nccn1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783608773 628726486 /nfs/dbraw/zinc/72/64/86/628726486.db2.gz LPQJRHIYIDWRMJ-UHFFFAOYSA-N 1 0 294.742 2.543 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(C)c1 ZINC000783636502 628729140 /nfs/dbraw/zinc/72/91/40/628729140.db2.gz MQVXEJFZLPXXQO-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CC(C)C ZINC000786811961 628980490 /nfs/dbraw/zinc/98/04/90/628980490.db2.gz FPBOKONWRQVYOH-LPDYGMJQSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622539 629087853 /nfs/dbraw/zinc/08/78/53/629087853.db2.gz CAXHVWDDANZBMM-MWLCHTKSSA-N 1 0 281.381 2.723 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788763675 629098117 /nfs/dbraw/zinc/09/81/17/629098117.db2.gz JQMLNMXHAZBPDT-ZYHUDNBSSA-N 1 0 293.367 2.785 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-] ZINC000788777173 629098995 /nfs/dbraw/zinc/09/89/95/629098995.db2.gz NULWGMJBDDRPKH-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO Cc1c(OC(=O)c2ccc3c[nH+]cn3c2)cccc1[N+](=O)[O-] ZINC000790292136 629226247 /nfs/dbraw/zinc/22/62/47/629226247.db2.gz MEDLAWBRUSANAW-UHFFFAOYSA-N 1 0 297.270 2.770 20 5 CFBDRO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000791052324 629283819 /nfs/dbraw/zinc/28/38/19/629283819.db2.gz MCIXOFIDELXYHK-HIFRSBDPSA-N 1 0 262.353 2.779 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000791054646 629283851 /nfs/dbraw/zinc/28/38/51/629283851.db2.gz MYEHPVSCPATRHU-ZDUSSCGKSA-N 1 0 252.289 2.533 20 5 CFBDRO O=[N+]([O-])CC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000791053757 629284232 /nfs/dbraw/zinc/28/42/32/629284232.db2.gz OXRKDPOCKPKHRB-UHFFFAOYSA-N 1 0 273.336 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncccc2O)cc1Cl ZINC000793255412 629515427 /nfs/dbraw/zinc/51/54/27/629515427.db2.gz IEIOXQMQDKACBY-UHFFFAOYSA-N 1 0 293.710 2.639 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1Cl ZINC000793322469 629526450 /nfs/dbraw/zinc/52/64/50/629526450.db2.gz NFVDUQKJWHFKOS-GFCCVEGCSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@](O)(CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000794748837 629683381 /nfs/dbraw/zinc/68/33/81/629683381.db2.gz UZMYTRUIVLBNMV-IBGZPJMESA-N 1 0 295.382 2.826 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000796314569 629902329 /nfs/dbraw/zinc/90/23/29/629902329.db2.gz AGLMAAUVDIDYGC-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797126944 630022960 /nfs/dbraw/zinc/02/29/60/630022960.db2.gz CNTVPGZSKLCKRM-LRDDRELGSA-N 1 0 289.379 2.952 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797526738 630077334 /nfs/dbraw/zinc/07/73/34/630077334.db2.gz XORMSXMDTWEAEZ-IAQYHMDHSA-N 1 0 276.336 2.526 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797526736 630077569 /nfs/dbraw/zinc/07/75/69/630077569.db2.gz XORMSXMDTWEAEZ-ABAIWWIYSA-N 1 0 276.336 2.526 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546369 630456815 /nfs/dbraw/zinc/45/68/15/630456815.db2.gz KSOWMPDWERWFJZ-ABAIWWIYSA-N 1 0 296.342 2.717 20 5 CFBDRO CN(CC[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804429703 630680687 /nfs/dbraw/zinc/68/06/87/630680687.db2.gz NAFMOCNZUJOAEL-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804450854 630682471 /nfs/dbraw/zinc/68/24/71/630682471.db2.gz PIVVNTZSYIKUBW-UHFFFAOYSA-N 1 0 296.327 2.647 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000807983548 630930256 /nfs/dbraw/zinc/93/02/56/630930256.db2.gz PPANHDYAMOABJQ-JQWIXIFHSA-N 1 0 291.351 2.692 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000041677315 649992184 /nfs/dbraw/zinc/99/21/84/649992184.db2.gz GOCDWKYSYBAJMD-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC=CO1 ZINC000809689303 631264336 /nfs/dbraw/zinc/26/43/36/631264336.db2.gz XHQNNSFAFRNNRW-CQSZACIVSA-N 1 0 276.336 2.762 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000809692781 631265560 /nfs/dbraw/zinc/26/55/60/631265560.db2.gz GUZZHXHQEFJAAM-NSHDSACASA-N 1 0 284.743 2.859 20 5 CFBDRO CN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809729588 631272790 /nfs/dbraw/zinc/27/27/90/631272790.db2.gz KUVYIEZZYYHXMW-UHFFFAOYSA-N 1 0 285.775 2.632 20 5 CFBDRO C[C@@H]1[C@H](C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000842166208 631557975 /nfs/dbraw/zinc/55/79/75/631557975.db2.gz JNJXHMQHWZHAPP-FJJYHAOUSA-N 1 0 278.352 2.605 20 5 CFBDRO COCCCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842173366 631561004 /nfs/dbraw/zinc/56/10/04/631561004.db2.gz OMFWGEFWCRGXQZ-UHFFFAOYSA-N 1 0 270.304 2.592 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC1 ZINC000811484767 631569359 /nfs/dbraw/zinc/56/93/59/631569359.db2.gz JVIWUWVQWJZXDA-SECBINFHSA-N 1 0 291.134 2.780 20 5 CFBDRO CSC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000811507107 631573331 /nfs/dbraw/zinc/57/33/31/631573331.db2.gz QYKWOCNQHBXWJU-UHFFFAOYSA-N 1 0 295.408 2.646 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811517194 631575859 /nfs/dbraw/zinc/57/58/59/631575859.db2.gz KOHIBICYSNVSQR-RKDXNWHRSA-N 1 0 272.732 2.761 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000811803263 631624137 /nfs/dbraw/zinc/62/41/37/631624137.db2.gz KBTDUOQKWNHFAE-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000811848629 631632400 /nfs/dbraw/zinc/63/24/00/631632400.db2.gz MQVQOGBPUMCKIU-JTQLQIEISA-N 1 0 299.346 2.883 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000812460748 631721626 /nfs/dbraw/zinc/72/16/26/631721626.db2.gz ZFEVIRPLMINNRP-NSHDSACASA-N 1 0 281.331 2.939 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000843051318 631816060 /nfs/dbraw/zinc/81/60/60/631816060.db2.gz WNQVIMGWEFOWHS-YPMHNXCESA-N 1 0 297.786 2.807 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)C[NH3+] ZINC000843055849 631819377 /nfs/dbraw/zinc/81/93/77/631819377.db2.gz AEQAKNHYNAUTFY-UHFFFAOYSA-N 1 0 285.775 2.665 20 5 CFBDRO [NH3+]CCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000843126541 631845690 /nfs/dbraw/zinc/84/56/90/631845690.db2.gz INTXJBRMEHFYCM-UHFFFAOYSA-N 1 0 285.775 2.857 20 5 CFBDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843365091 631938870 /nfs/dbraw/zinc/93/88/70/631938870.db2.gz BZJUJUPEGZGFNF-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000814873792 632144684 /nfs/dbraw/zinc/14/46/84/632144684.db2.gz QNZZVBURMPIGRU-NSHDSACASA-N 1 0 297.786 2.945 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000105909031 632434854 /nfs/dbraw/zinc/43/48/54/632434854.db2.gz DXZDAYQGIHMECY-LRDDRELGSA-N 1 0 286.331 2.979 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)O ZINC000816652997 632505176 /nfs/dbraw/zinc/50/51/76/632505176.db2.gz BNMVOZNPMLDAEH-GFCCVEGCSA-N 1 0 286.759 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1F ZINC000817296379 632598128 /nfs/dbraw/zinc/59/81/28/632598128.db2.gz HKBRHLYSKSWBBV-GFCCVEGCSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412869 632624678 /nfs/dbraw/zinc/62/46/78/632624678.db2.gz PWRVJLLBINFVEL-JQWIXIFHSA-N 1 0 298.770 2.699 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2(CO)CCC2)c1 ZINC000846103249 632631534 /nfs/dbraw/zinc/63/15/34/632631534.db2.gz UWYLANONVCCONL-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906726 632729055 /nfs/dbraw/zinc/72/90/55/632729055.db2.gz DFXFJYGZDKXFRD-QMTHXVAHSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000817907512 632729275 /nfs/dbraw/zinc/72/92/75/632729275.db2.gz PUKGIOXANCCNHP-QMTHXVAHSA-N 1 0 297.786 2.868 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1OCCCCCCC[NH3+] ZINC000818617181 632881178 /nfs/dbraw/zinc/88/11/78/632881178.db2.gz CFNGWKIOSNLWFB-UHFFFAOYSA-N 1 0 282.340 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000818967616 632917474 /nfs/dbraw/zinc/91/74/74/632917474.db2.gz XCQMGWXXBCWRRP-PBHICJAKSA-N 1 0 298.342 2.558 20 5 CFBDRO CC(C)(C)SCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819010106 632929102 /nfs/dbraw/zinc/92/91/02/632929102.db2.gz ZIUUQEARCBDOHN-CYBMUJFWSA-N 1 0 298.408 2.750 20 5 CFBDRO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819093015 632963527 /nfs/dbraw/zinc/96/35/27/632963527.db2.gz IKAZRVWECIEHLR-SMDDNHRTSA-N 1 0 266.341 2.510 20 5 CFBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819112232 632970502 /nfs/dbraw/zinc/97/05/02/632970502.db2.gz BRGAOPAQBJOOSK-YUTCNCBUSA-N 1 0 296.392 2.502 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC23CCC(CC2)C3)cc1 ZINC000819188408 633008109 /nfs/dbraw/zinc/00/81/09/633008109.db2.gz GNPLJCRIRHVOQU-NRAUKZCXSA-N 1 0 290.363 2.798 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CO ZINC000857061699 635922111 /nfs/dbraw/zinc/92/21/11/635922111.db2.gz ULDCGQBJAZKDQO-PWSUYJOCSA-N 1 0 298.770 2.699 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000849325795 633618062 /nfs/dbraw/zinc/61/80/62/633618062.db2.gz SVOKMFPFYDIAEJ-AEGPPILISA-N 1 0 276.336 2.503 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000849328928 633619624 /nfs/dbraw/zinc/61/96/24/633619624.db2.gz AYSGSUHRXWUONI-BFJAYTPKSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000849328932 633619691 /nfs/dbraw/zinc/61/96/91/633619691.db2.gz AYSGSUHRXWUONI-WMHQRMGPSA-N 1 0 290.363 2.654 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000850312343 633938088 /nfs/dbraw/zinc/93/80/88/633938088.db2.gz JLPHEUNDTGFMFZ-JKOKRWQUSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)ccc1Cl ZINC000850387801 633970831 /nfs/dbraw/zinc/97/08/31/633970831.db2.gz ACEXCGTUMWKALA-QWHCGFSZSA-N 1 0 296.754 2.641 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCCCO ZINC000850447431 633997359 /nfs/dbraw/zinc/99/73/59/633997359.db2.gz GDGOLCDQNAMCDC-GFCCVEGCSA-N 1 0 296.367 2.807 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537705 634042395 /nfs/dbraw/zinc/04/23/95/634042395.db2.gz XNZFAWMYOAYRIT-QPUJVOFHSA-N 1 0 285.294 2.873 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850569889 634056264 /nfs/dbraw/zinc/05/62/64/634056264.db2.gz COJRSDCZCANQNE-JQWIXIFHSA-N 1 0 293.367 2.643 20 5 CFBDRO CCSC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000853113887 634910257 /nfs/dbraw/zinc/91/02/57/634910257.db2.gz MEOWMMOGRJBRQX-CYBMUJFWSA-N 1 0 296.392 2.504 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853577585 635040552 /nfs/dbraw/zinc/04/05/52/635040552.db2.gz UGDDDDRTTPHBNP-VXGBXAGGSA-N 1 0 286.335 2.552 20 5 CFBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000853605983 635048703 /nfs/dbraw/zinc/04/87/03/635048703.db2.gz OUVDFJAINXSASO-ZDUSSCGKSA-N 1 0 278.356 2.794 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@H](C)[NH+](C)C ZINC000853798111 635109544 /nfs/dbraw/zinc/10/95/44/635109544.db2.gz ASXQAZTVTOGADL-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000853906016 635156842 /nfs/dbraw/zinc/15/68/42/635156842.db2.gz JDSNABAJZBAEQK-SNVBAGLBSA-N 1 0 297.330 2.639 20 5 CFBDRO CC[C@@H]([NH2+]C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000854159629 635235533 /nfs/dbraw/zinc/23/55/33/635235533.db2.gz BBCSBFYUEJIOJI-LLVKDONJSA-N 1 0 276.296 2.624 20 5 CFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000857226343 635952797 /nfs/dbraw/zinc/95/27/97/635952797.db2.gz LBYOMGIVDZNIHL-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cccs2)cc1 ZINC000158610323 650231933 /nfs/dbraw/zinc/23/19/33/650231933.db2.gz AWXDGLBYQMLIFE-CQSZACIVSA-N 1 0 292.360 2.522 20 5 CFBDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000858474686 636261283 /nfs/dbraw/zinc/26/12/83/636261283.db2.gz CQJIGADEEUEIJC-MFKMUULPSA-N 1 0 290.319 2.507 20 5 CFBDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000858475049 636262354 /nfs/dbraw/zinc/26/23/54/636262354.db2.gz GJNSHUQHYGMCRH-GXFFZTMASA-N 1 0 290.319 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000862529519 637409009 /nfs/dbraw/zinc/40/90/09/637409009.db2.gz MJOJJHFOVFIFQZ-RISCZKNCSA-N 1 0 296.754 2.905 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000119445697 637656855 /nfs/dbraw/zinc/65/68/55/637656855.db2.gz LINWCWWFVBVUJC-LLVKDONJSA-N 1 0 274.324 2.634 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCC23CC3)cc1 ZINC000863588362 637704978 /nfs/dbraw/zinc/70/49/78/637704978.db2.gz MGUPGYZPGIQQCZ-ZFWWWQNUSA-N 1 0 290.363 2.798 20 5 CFBDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000865741616 638546435 /nfs/dbraw/zinc/54/64/35/638546435.db2.gz QXLYBFWWEHBMDR-DJJJIMSYSA-N 1 0 295.382 2.824 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865788058 638574240 /nfs/dbraw/zinc/57/42/40/638574240.db2.gz XMYVCWGKQPPLGE-GJZGRUSLSA-N 1 0 290.363 2.747 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)C[C@@H](C)O ZINC000865873242 638631876 /nfs/dbraw/zinc/63/18/76/638631876.db2.gz UMGJSSCOXWUJQJ-YPMHNXCESA-N 1 0 296.367 2.633 20 5 CFBDRO C[N@@H+]1CCN(c2sccc2[N+](=O)[O-])CCC1(C)C ZINC000866112863 638742685 /nfs/dbraw/zinc/74/26/85/638742685.db2.gz MGGBRFAZCLMUSN-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)N(C)C ZINC000866213972 638771610 /nfs/dbraw/zinc/77/16/10/638771610.db2.gz FHVCEGINKVRMGZ-LLVKDONJSA-N 1 0 297.374 2.595 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCO1 ZINC000866225863 638774092 /nfs/dbraw/zinc/77/40/92/638774092.db2.gz DJYOFBKSBDVJAC-BXUZGUMPSA-N 1 0 296.342 2.824 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C ZINC000866241948 638778051 /nfs/dbraw/zinc/77/80/51/638778051.db2.gz HOTHATKMLUWHMF-FOGDFJRCSA-N 1 0 266.316 2.911 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264684 638783941 /nfs/dbraw/zinc/78/39/41/638783941.db2.gz DECIFSQAFQVBIV-FIXISWKDSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000866273333 638786691 /nfs/dbraw/zinc/78/66/91/638786691.db2.gz KBJKQGXHKYEFNV-NTZNESFSSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000866277531 638787569 /nfs/dbraw/zinc/78/75/69/638787569.db2.gz DWGOWLCPPPSIHO-LLVKDONJSA-N 1 0 291.326 2.793 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000866281870 638788763 /nfs/dbraw/zinc/78/87/63/638788763.db2.gz VOVFPKSROMTJRX-NHYWBVRUSA-N 1 0 296.342 2.824 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866363565 638804340 /nfs/dbraw/zinc/80/43/40/638804340.db2.gz MNIJIYYTBBIEKN-BONVTDFDSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000866362414 638804405 /nfs/dbraw/zinc/80/44/05/638804405.db2.gz BIUCUXAOEMOTAF-IINYFYTJSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000866365611 638805302 /nfs/dbraw/zinc/80/53/02/638805302.db2.gz YWIMSVBJJZWTCP-NSHDSACASA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000866368912 638806967 /nfs/dbraw/zinc/80/69/67/638806967.db2.gz FYKSVWJRVNUNPC-UHIISALHSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C=CCC1 ZINC000866388787 638811729 /nfs/dbraw/zinc/81/17/29/638811729.db2.gz MTRJEDBGEHHYBW-ZWNOBZJWSA-N 1 0 264.300 2.973 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866398175 638814611 /nfs/dbraw/zinc/81/46/11/638814611.db2.gz MHAIOSAITHKKSH-GYSYKLTISA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000866447496 638823681 /nfs/dbraw/zinc/82/36/81/638823681.db2.gz JWUOVFDYIRMERP-ZHSDAYTOSA-N 1 0 296.342 2.820 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866634510 638858320 /nfs/dbraw/zinc/85/83/20/638858320.db2.gz RUBSCVDFPZBRKH-JTNHKYCSSA-N 1 0 278.352 2.721 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866635352 638858933 /nfs/dbraw/zinc/85/89/33/638858933.db2.gz ZZKJWOSCCOMZNP-UHIISALHSA-N 1 0 298.358 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866725871 638871312 /nfs/dbraw/zinc/87/13/12/638871312.db2.gz SVBZMVZWJRRRKV-ZIAGYGMSSA-N 1 0 295.770 2.575 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000122561213 639216866 /nfs/dbraw/zinc/21/68/66/639216866.db2.gz RDVLPCZSABKMDC-TZMCWYRMSA-N 1 0 280.368 2.961 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023825 641555266 /nfs/dbraw/zinc/55/52/66/641555266.db2.gz VYPRVIAHQVNJHX-SNVBAGLBSA-N 1 0 270.304 2.811 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031066 641562159 /nfs/dbraw/zinc/56/21/59/641562159.db2.gz LUCNHYDHUKUKND-NSHDSACASA-N 1 0 283.347 2.725 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000872033259 641564465 /nfs/dbraw/zinc/56/44/65/641564465.db2.gz AQTHKKGUYAQBHN-SNVBAGLBSA-N 1 0 296.392 2.882 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)O ZINC000872033505 641565069 /nfs/dbraw/zinc/56/50/69/641565069.db2.gz DCQQQPLESLBSGQ-ZJUUUORDSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C[C@H](C)O ZINC000872037182 641570028 /nfs/dbraw/zinc/57/00/28/641570028.db2.gz BUNZXEAIMLNOON-OUAUKWLOSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044951 641580423 /nfs/dbraw/zinc/58/04/23/641580423.db2.gz XBRCCDXQHWIKGL-IJLUTSLNSA-N 1 0 296.342 2.936 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC1 ZINC000872052853 641587349 /nfs/dbraw/zinc/58/73/49/641587349.db2.gz QSVQBSCXQXGHTG-LLVKDONJSA-N 1 0 295.408 2.673 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000872053856 641588317 /nfs/dbraw/zinc/58/83/17/641588317.db2.gz XPVAWSQBHNWTNG-ZJUUUORDSA-N 1 0 282.365 2.756 20 5 CFBDRO C[C@H](O)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068423 641599759 /nfs/dbraw/zinc/59/97/59/641599759.db2.gz XLVLGTPGCBXZQO-UWVGGRQHSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069730 641601027 /nfs/dbraw/zinc/60/10/27/641601027.db2.gz UBOKHLFYFNTZEX-GFCCVEGCSA-N 1 0 293.342 2.646 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C[NH+](C)C ZINC000872071325 641602676 /nfs/dbraw/zinc/60/26/76/641602676.db2.gz NOLFYXQCIIUILQ-QWRGUYRKSA-N 1 0 297.424 2.917 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094981 641626710 /nfs/dbraw/zinc/62/67/10/641626710.db2.gz QKFKPFFEGGETNE-GMTAPVOTSA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872105416 641636551 /nfs/dbraw/zinc/63/65/51/641636551.db2.gz IURXPZYRJBSLLZ-JQWIXIFHSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129836 641657656 /nfs/dbraw/zinc/65/76/56/641657656.db2.gz XXYJNDFPIFIVHI-LOWVWBTDSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000872218458 641706264 /nfs/dbraw/zinc/70/62/64/641706264.db2.gz OGILMEWTXRWBGT-UONOGXRCSA-N 1 0 276.336 2.551 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000872223633 641708738 /nfs/dbraw/zinc/70/87/38/641708738.db2.gz MBKXMGXRAORLTD-KBPBESRZSA-N 1 0 296.392 2.504 20 5 CFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780699 641934800 /nfs/dbraw/zinc/93/48/00/641934800.db2.gz MTYCVWKWAVLUJW-NEPJUHHUSA-N 1 0 295.770 2.921 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCCO1 ZINC000873022414 641987165 /nfs/dbraw/zinc/98/71/65/641987165.db2.gz AXCLCKDFFWTYIK-ZDUSSCGKSA-N 1 0 278.352 2.870 20 5 CFBDRO Cc1c(C[NH2+]CCc2nccs2)cccc1[N+](=O)[O-] ZINC000873030227 641990391 /nfs/dbraw/zinc/99/03/91/641990391.db2.gz BKAZJXXRZQGKJB-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO COC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCC1 ZINC000873103789 642013667 /nfs/dbraw/zinc/01/36/67/642013667.db2.gz XDHTWPKKNSYJOH-UHFFFAOYSA-N 1 0 278.352 2.870 20 5 CFBDRO COCC(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873127072 642021211 /nfs/dbraw/zinc/02/12/11/642021211.db2.gz HTQXABLPLOPVHR-UHFFFAOYSA-N 1 0 280.368 2.974 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1=CCCOC1 ZINC000873127425 642021458 /nfs/dbraw/zinc/02/14/58/642021458.db2.gz RQRFXOLEUPYSCK-UHFFFAOYSA-N 1 0 276.336 2.648 20 5 CFBDRO Cc1c(C[NH2+]CC[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000873140363 642028690 /nfs/dbraw/zinc/02/86/90/642028690.db2.gz NOXDPSUJHHAHNC-CYBMUJFWSA-N 1 0 278.352 2.810 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229716 642081502 /nfs/dbraw/zinc/08/15/02/642081502.db2.gz FCRPHXPPKBTDKK-UONOGXRCSA-N 1 0 295.770 2.622 20 5 CFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124564838 642251047 /nfs/dbraw/zinc/25/10/47/642251047.db2.gz FATHWDXQEJXDQD-BXKDBHETSA-N 1 0 283.759 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC[NH+]1CCCC1 ZINC000124773599 642320444 /nfs/dbraw/zinc/32/04/44/642320444.db2.gz JHIUVSKOIVHIRN-UHFFFAOYSA-N 1 0 269.732 2.756 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000125189157 642535154 /nfs/dbraw/zinc/53/51/54/642535154.db2.gz KNGWMKDLOQQTPF-BXUZGUMPSA-N 1 0 290.319 2.880 20 5 CFBDRO C[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876916342 643063166 /nfs/dbraw/zinc/06/31/66/643063166.db2.gz RCJZZEWWSGEQSV-ZSVAQUKISA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876972736 643088649 /nfs/dbraw/zinc/08/86/49/643088649.db2.gz ZAMPMTKLCZEBGL-IWMBGFJWSA-N 1 0 292.383 2.911 20 5 CFBDRO CC1(C)CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877078034 643139220 /nfs/dbraw/zinc/13/92/20/643139220.db2.gz AFEUOKAATHTMIN-XIVSLSHWSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@H]([NH2+]C1CC(n2cccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877556928 643358366 /nfs/dbraw/zinc/35/83/66/643358366.db2.gz CNZSUMKGIIFLOR-ZOODHJKOSA-N 1 0 286.335 2.846 20 5 CFBDRO CCC(C)(C)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877623671 643410243 /nfs/dbraw/zinc/41/02/43/643410243.db2.gz WSXPJJIDJUOUDP-UNXYVOJBSA-N 1 0 280.372 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1=CCCOC1 ZINC000877628080 643412920 /nfs/dbraw/zinc/41/29/20/643412920.db2.gz CAONYDXAJFCFQG-UHFFFAOYSA-N 1 0 290.363 2.990 20 5 CFBDRO C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H]2C[C@H]2C1 ZINC000877658467 643437265 /nfs/dbraw/zinc/43/72/65/643437265.db2.gz YZCMXLAYNGQODF-SBUHAPDTSA-N 1 0 290.367 2.521 20 5 CFBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877691922 643457375 /nfs/dbraw/zinc/45/73/75/643457375.db2.gz XNZSWPQXRVRRRZ-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877700729 643463507 /nfs/dbraw/zinc/46/35/07/643463507.db2.gz UNIHKLVAMAPEIN-AULYBMBSSA-N 1 0 266.366 2.621 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000877736876 643496658 /nfs/dbraw/zinc/49/66/58/643496658.db2.gz BKXPSTVIUOWOCS-STQMWFEESA-N 1 0 278.377 2.780 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000877737721 643498731 /nfs/dbraw/zinc/49/87/31/643498731.db2.gz HWOJISQIJJHMFJ-QWHCGFSZSA-N 1 0 278.377 2.780 20 5 CFBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877777728 643554654 /nfs/dbraw/zinc/55/46/54/643554654.db2.gz CSGNIGHBAREPHO-ONGXEEELSA-N 1 0 286.759 2.887 20 5 CFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126729534 643590803 /nfs/dbraw/zinc/59/08/03/643590803.db2.gz HWBSHQHRXQSOCP-KGLIPLIRSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877836023 643603026 /nfs/dbraw/zinc/60/30/26/643603026.db2.gz LEMOXPSOXVNXBT-NSHDSACASA-N 1 0 298.770 2.841 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877837136 643605444 /nfs/dbraw/zinc/60/54/44/643605444.db2.gz SHWULGWBVPTRFP-ZDUSSCGKSA-N 1 0 292.379 2.804 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000090538998 650875783 /nfs/dbraw/zinc/87/57/83/650875783.db2.gz DXADXZLPQGJFCJ-SNVBAGLBSA-N 1 0 280.353 2.512 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)cc1[N+](=O)[O-] ZINC000878698106 643995519 /nfs/dbraw/zinc/99/55/19/643995519.db2.gz AWRCNORNTXRFNL-HNNXBMFYSA-N 1 0 290.363 2.783 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000878916478 644073384 /nfs/dbraw/zinc/07/33/84/644073384.db2.gz MASFTXXLWUADII-ZFWWWQNUSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000879265282 644200438 /nfs/dbraw/zinc/20/04/38/644200438.db2.gz GPAOQGBXDWOZDS-KYOSRNDESA-N 1 0 292.383 2.658 20 5 CFBDRO CCCCCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879274001 644203620 /nfs/dbraw/zinc/20/36/20/644203620.db2.gz LNUNGBKPCSPVBA-HNNXBMFYSA-N 1 0 280.368 2.972 20 5 CFBDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318287 644222378 /nfs/dbraw/zinc/22/23/78/644222378.db2.gz SKGWNGFQCKAUQH-WCQYABFASA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@@H]1CC[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319668 644224434 /nfs/dbraw/zinc/22/44/34/644224434.db2.gz DEAQJNRLSYFWQF-IUODEOHRSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319670 644224974 /nfs/dbraw/zinc/22/49/74/644224974.db2.gz DEAQJNRLSYFWQF-SWLSCSKDSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319531 644225102 /nfs/dbraw/zinc/22/51/02/644225102.db2.gz WVKOSPILLGKECX-BXUZGUMPSA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320825 644226725 /nfs/dbraw/zinc/22/67/25/644226725.db2.gz MCSNIXPUCGQUNK-SMDDNHRTSA-N 1 0 278.352 2.903 20 5 CFBDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000879324717 644231002 /nfs/dbraw/zinc/23/10/02/644231002.db2.gz FGLIZNPVKCYBRU-OCCSQVGLSA-N 1 0 278.352 2.903 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619658 644350819 /nfs/dbraw/zinc/35/08/19/644350819.db2.gz YYDCCYIHSUMWDW-RYUDHWBXSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000880132059 644543494 /nfs/dbraw/zinc/54/34/94/644543494.db2.gz MZRYENAEDFGYHO-CVEARBPZSA-N 1 0 289.379 2.572 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880139588 644548787 /nfs/dbraw/zinc/54/87/87/644548787.db2.gz ALMMKRWXJBNEGV-AAEUAGOBSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)n1 ZINC000880539232 644757333 /nfs/dbraw/zinc/75/73/33/644757333.db2.gz UAPGJQYDSMAINR-WFASDCNBSA-N 1 0 298.346 2.726 20 5 CFBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000094953993 650966548 /nfs/dbraw/zinc/96/65/48/650966548.db2.gz MYWGVBXHLAMOPY-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO CC(=O)c1c(N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881859078 645142244 /nfs/dbraw/zinc/14/22/44/645142244.db2.gz XHAJZGIZKBICGJ-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO CC(=O)c1c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016735 645177306 /nfs/dbraw/zinc/17/73/06/645177306.db2.gz AMYSMECTDMMHMV-JQWIXIFHSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@H](CCNc1ccnc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000882179398 645233234 /nfs/dbraw/zinc/23/32/34/645233234.db2.gz MUBFYCWTLVOJRP-LLVKDONJSA-N 1 0 296.346 2.805 20 5 CFBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000882961056 645531356 /nfs/dbraw/zinc/53/13/56/645531356.db2.gz DCAPTQRXTFJBNQ-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO CSCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130761783 645568563 /nfs/dbraw/zinc/56/85/63/645568563.db2.gz OVFWNCQORQEZFB-SNVBAGLBSA-N 1 0 254.355 2.826 20 5 CFBDRO C=C/C=C/CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000883268862 645711703 /nfs/dbraw/zinc/71/17/03/645711703.db2.gz UVRAGQXSHDDYCC-LSMGEYOZSA-N 1 0 290.367 2.997 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000883270163 645712432 /nfs/dbraw/zinc/71/24/32/645712432.db2.gz HMFPMAIEKRPRTK-YDHLFZDLSA-N 1 0 292.379 2.931 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000883319267 645737227 /nfs/dbraw/zinc/73/72/27/645737227.db2.gz VEQYTEWATBBKRS-COPLHBTASA-N 1 0 296.342 2.680 20 5 CFBDRO O=C(OCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000800085590 646130958 /nfs/dbraw/zinc/13/09/58/646130958.db2.gz DXCCPTATXVEXDU-UHFFFAOYSA-N 1 0 292.335 2.628 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000800180934 646174570 /nfs/dbraw/zinc/17/45/70/646174570.db2.gz BIJYJPACVQIFBV-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000886109462 646876557 /nfs/dbraw/zinc/87/65/57/646876557.db2.gz LCEYPHNIEBIDFL-LNSITVRQSA-N 1 0 276.336 2.672 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886140563 646891789 /nfs/dbraw/zinc/89/17/89/646891789.db2.gz KHJQTLRNQFKJMU-MDZLAQPJSA-N 1 0 263.341 2.904 20 5 CFBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886143250 646893233 /nfs/dbraw/zinc/89/32/33/646893233.db2.gz XRXYIZDBDGLTPI-ZIAGYGMSSA-N 1 0 293.367 2.673 20 5 CFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200463 646916798 /nfs/dbraw/zinc/91/67/98/646916798.db2.gz MRCXQPSXZBKEJO-VXGBXAGGSA-N 1 0 281.381 2.754 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000886310861 646962893 /nfs/dbraw/zinc/96/28/93/646962893.db2.gz XDDPMSPTPYHUMO-CYBMUJFWSA-N 1 0 291.351 2.571 20 5 CFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000886615864 647068928 /nfs/dbraw/zinc/06/89/28/647068928.db2.gz PPBMHHXMPORYDM-CYZMBNFOSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818616 647151177 /nfs/dbraw/zinc/15/11/77/647151177.db2.gz HLKFLFXGNRDCAA-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886830738 647155439 /nfs/dbraw/zinc/15/54/39/647155439.db2.gz WSUFURWINQSCBF-SWLSCSKDSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000300424137 647331763 /nfs/dbraw/zinc/33/17/63/647331763.db2.gz YPDJNTNLNCADKN-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925232537 648138755 /nfs/dbraw/zinc/13/87/55/648138755.db2.gz XNOBNXYHIYPYBD-BPUTZDHNSA-N 1 0 289.379 2.730 20 5 CFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000925467210 648176127 /nfs/dbraw/zinc/17/61/27/648176127.db2.gz QTJVLJNLLWGKHW-CYBMUJFWSA-N 1 0 294.395 2.914 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1[N+](=O)[O-] ZINC000926797616 648620739 /nfs/dbraw/zinc/62/07/39/648620739.db2.gz VEVHZLFWFDRGIY-XEBKBJJBSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc(C[C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929425416 649047871 /nfs/dbraw/zinc/04/78/71/649047871.db2.gz SXZHVWGYUIZVKW-OAHLLOKOSA-N 1 0 262.353 2.526 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000930206179 649206567 /nfs/dbraw/zinc/20/65/67/649206567.db2.gz LATVBCWPUBREEF-CQSZACIVSA-N 1 0 266.316 2.923 20 5 CFBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC000930233675 649211047 /nfs/dbraw/zinc/21/10/47/649211047.db2.gz UBIPBZYBLATVHR-CYBMUJFWSA-N 1 0 266.341 2.649 20 5 CFBDRO Cc1c(CNCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000035648666 649265739 /nfs/dbraw/zinc/26/57/39/649265739.db2.gz SGBFRRIQJAIQCF-UHFFFAOYSA-N 1 0 279.384 2.581 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000931350825 649413402 /nfs/dbraw/zinc/41/34/02/649413402.db2.gz ZQLXAJLEXIWFFZ-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@H]([NH2+]CCc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000932178216 649559682 /nfs/dbraw/zinc/55/96/82/649559682.db2.gz IXQRYXREVPGCKS-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C)CC1 ZINC000932344932 649580842 /nfs/dbraw/zinc/58/08/42/649580842.db2.gz DNILZGRKXVWEKC-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123364 649752848 /nfs/dbraw/zinc/75/28/48/649752848.db2.gz AFXYKSOAWHOEIZ-LERXQTSPSA-N 1 0 264.325 2.765 20 5 CFBDRO CCCCC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000934206596 649760863 /nfs/dbraw/zinc/76/08/63/649760863.db2.gz CYFAZSLROYDUOX-UHFFFAOYSA-N 1 0 291.351 2.846 20 5 CFBDRO C[C@@H]1CSCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000934301482 649770399 /nfs/dbraw/zinc/77/03/99/649770399.db2.gz VFYMYZXUWVCJRH-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@]1(C2CC2)COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000934480081 649792795 /nfs/dbraw/zinc/79/27/95/649792795.db2.gz BFSXDJGLRGQYQM-INIZCTEOSA-N 1 0 290.363 2.638 20 5 CFBDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000934626370 649806433 /nfs/dbraw/zinc/80/64/33/649806433.db2.gz FINXIBDYQGGAMJ-CHWSQXEVSA-N 1 0 276.336 2.918 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934663845 649813081 /nfs/dbraw/zinc/81/30/81/649813081.db2.gz NXGMYSKZZNGNSZ-UHFFFAOYSA-N 1 0 272.345 2.965 20 5 CFBDRO Cc1ccsc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000113711409 651203941 /nfs/dbraw/zinc/20/39/41/651203941.db2.gz XZMMVJMRZBNQEC-ZDUSSCGKSA-N 1 0 292.360 2.788 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000116918796 651282652 /nfs/dbraw/zinc/28/26/52/651282652.db2.gz KFHUFALRTZTNDD-HXUWFJFHSA-N 1 0 298.408 2.576 20 5 CFBDRO COC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000721910605 777696303 /nfs/dbraw/zinc/69/63/03/777696303.db2.gz HGEKSSOSDORCHW-AWEZNQCLSA-N 1 0 280.368 2.646 20 5 CFBDRO C[C@H](OCCC[N+](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC001224624597 778605439 /nfs/dbraw/zinc/60/54/39/778605439.db2.gz YFDRCIJTKKFUFV-LBPRGKRZSA-N 1 0 267.349 2.769 20 5 CFBDRO O=[N+]([O-])c1cccc(Nc2ccc3[nH+]ccn3c2)c1 ZINC001204416546 769852272 /nfs/dbraw/zinc/85/22/72/769852272.db2.gz WLFYDMCDJYBIPV-UHFFFAOYSA-N 1 0 254.249 2.986 20 5 CFBDRO CC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1O ZINC001224621999 775229837 /nfs/dbraw/zinc/22/98/37/775229837.db2.gz FFGCCJFJZRQREZ-UHFFFAOYSA-N 1 0 273.441 2.510 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1CC[C@@H](OCc2ccccc2)C1 ZINC001224773975 775269615 /nfs/dbraw/zinc/26/96/15/775269615.db2.gz OOHYDTAJEIFXEF-DLBZAZTESA-N 1 0 278.416 2.847 20 5 CFBDRO C[C@@H](OCC[N+](C)(C)C)c1ccc(Br)nc1 ZINC001224775542 775271064 /nfs/dbraw/zinc/27/10/64/775271064.db2.gz MIVTUABGXBZWKJ-SNVBAGLBSA-N 1 0 288.209 2.628 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C[C@H]2F)c(Cl)c1 ZINC001217946778 775396823 /nfs/dbraw/zinc/39/68/23/775396823.db2.gz PELUSJDHZGTNFO-PWSUYJOCSA-N 1 0 288.706 2.717 20 5 CFBDRO C[NH2+][C@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001217951764 775400639 /nfs/dbraw/zinc/40/06/39/775400639.db2.gz SOVPOAZGBKLUHY-XWEPSHTISA-N 1 0 290.241 2.743 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217976541 775413416 /nfs/dbraw/zinc/41/34/16/775413416.db2.gz WXKIZNHBTAPBDO-SECBINFHSA-N 1 0 270.716 2.769 20 5 CFBDRO CC(C)(C)N1CC(Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225381044 775435379 /nfs/dbraw/zinc/43/53/79/775435379.db2.gz ARUUWXZNNOADSF-UHFFFAOYSA-N 1 0 268.288 2.595 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225381496 775435661 /nfs/dbraw/zinc/43/56/61/775435661.db2.gz GRIQYGXWYFWEEN-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO COc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001225441455 775458531 /nfs/dbraw/zinc/45/85/31/775458531.db2.gz ONLXEEGGRJXLGX-HAQNSBGRSA-N 1 0 294.351 2.855 20 5 CFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccnc1[N+](=O)[O-])C2 ZINC001225628947 775531796 /nfs/dbraw/zinc/53/17/96/775531796.db2.gz AJWGGAXCERSKHM-ITGUQSILSA-N 1 0 291.351 2.772 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ncc1Br ZINC001225779225 775590876 /nfs/dbraw/zinc/59/08/76/775590876.db2.gz OFMPDNUBGKUSLW-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225793759 775594934 /nfs/dbraw/zinc/59/49/34/775594934.db2.gz DYDSDPZEZITMRT-SNVBAGLBSA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1Cl ZINC001218412471 775644665 /nfs/dbraw/zinc/64/46/65/775644665.db2.gz FRZCYKRLWSBZNA-SKDRFNHKSA-N 1 0 284.743 2.933 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226130790 775710073 /nfs/dbraw/zinc/71/00/73/775710073.db2.gz VAKFAGCISAQONO-JTQLQIEISA-N 1 0 285.731 2.505 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1F ZINC001226264751 775762045 /nfs/dbraw/zinc/76/20/45/775762045.db2.gz BBAASKZQMIRLSG-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001226301276 775772986 /nfs/dbraw/zinc/77/29/86/775772986.db2.gz IRWZGAKXDQPXQI-SECBINFHSA-N 1 0 290.241 2.697 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)nc1OC1CC[NH+](C2CC2)CC1 ZINC001226364455 775790202 /nfs/dbraw/zinc/79/02/02/775790202.db2.gz MDUODAXGTHTSRS-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364718 775791199 /nfs/dbraw/zinc/79/11/99/775791199.db2.gz RZQBQRVRGJDYBB-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO C[NH2+]CCNc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001167724223 775814311 /nfs/dbraw/zinc/81/43/11/775814311.db2.gz JQRODCUMIWIQKN-UHFFFAOYSA-N 1 0 251.330 2.524 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc(Cl)cc2o1 ZINC001226457366 775829819 /nfs/dbraw/zinc/82/98/19/775829819.db2.gz FAHWTVGQLKSFFZ-VIFPVBQESA-N 1 0 269.752 2.955 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001226964129 776036787 /nfs/dbraw/zinc/03/67/87/776036787.db2.gz MXUKTLGSKORBJL-MRVPVSSYSA-N 1 0 292.257 2.943 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001226997696 776054271 /nfs/dbraw/zinc/05/42/71/776054271.db2.gz ZHAHZKDCPQANLX-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000025484582 776094718 /nfs/dbraw/zinc/09/47/18/776094718.db2.gz AMFZYDSSEZFVGI-GWCFXTLKSA-N 1 0 280.372 2.876 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1OC1CC[NH+](C2CC2)CC1 ZINC001227184724 776127104 /nfs/dbraw/zinc/12/71/04/776127104.db2.gz JCANLJLBBJJZMI-UHFFFAOYSA-N 1 0 292.335 2.609 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001227188417 776128744 /nfs/dbraw/zinc/12/87/44/776128744.db2.gz UKBNPQQSKFIJRN-AULYBMBSSA-N 1 0 294.351 2.855 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227237673 776151014 /nfs/dbraw/zinc/15/10/14/776151014.db2.gz KCBHNJRLIDOGNR-JTQLQIEISA-N 1 0 291.307 2.598 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227483709 776212677 /nfs/dbraw/zinc/21/26/77/776212677.db2.gz CNRFBYOZBXZCHV-GFCCVEGCSA-N 1 0 264.325 2.846 20 5 CFBDRO COc1cc(CCC(C)=O)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227529080 776220051 /nfs/dbraw/zinc/22/00/51/776220051.db2.gz RLYFHANWUGJHDT-CQSZACIVSA-N 1 0 294.415 2.690 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccccc21 ZINC001228034620 776370366 /nfs/dbraw/zinc/37/03/66/776370366.db2.gz QSRBFLUGKPEKFA-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056647 776379872 /nfs/dbraw/zinc/37/98/72/776379872.db2.gz FNKXJOXQQYRKHH-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1cnc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001228171769 776416614 /nfs/dbraw/zinc/41/66/14/776416614.db2.gz NEYLNQKDIRVWIQ-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001228214258 776423856 /nfs/dbraw/zinc/42/38/56/776423856.db2.gz HXHKDMBGSIIRQA-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[N@@H+](C)C1 ZINC001228570363 776523851 /nfs/dbraw/zinc/52/38/51/776523851.db2.gz CCKPLBZRPNJICE-ZDUSSCGKSA-N 1 0 264.325 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001228572119 776525136 /nfs/dbraw/zinc/52/51/36/776525136.db2.gz XEAYJPXBQRKKNL-AWEZNQCLSA-N 1 0 276.336 2.685 20 5 CFBDRO CCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001228641504 776549198 /nfs/dbraw/zinc/54/91/98/776549198.db2.gz HXGNBLRHKCEKQS-LBPRGKRZSA-N 1 0 264.389 2.925 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228881508 776645223 /nfs/dbraw/zinc/64/52/23/776645223.db2.gz FLWSIMQJOKDINR-UHFFFAOYSA-N 1 0 279.340 2.632 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c(C(C)=O)cccc1[N+](=O)[O-] ZINC001228970076 776672313 /nfs/dbraw/zinc/67/23/13/776672313.db2.gz FIHDHMRKLDYIFW-NSHDSACASA-N 1 0 294.351 2.907 20 5 CFBDRO CSc1nc2c(c(O[C@H](C)C[N+](C)(C)C)n1)CCCC2 ZINC001229160327 776737047 /nfs/dbraw/zinc/73/70/47/776737047.db2.gz CEOJFATXPGPIET-LLVKDONJSA-N 1 0 296.460 2.551 20 5 CFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H](C)C[N+](C)(C)C ZINC001229179670 776745307 /nfs/dbraw/zinc/74/53/07/776745307.db2.gz OLYBHGQKWAAMAU-LLVKDONJSA-N 1 0 295.359 2.661 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001229197421 776749866 /nfs/dbraw/zinc/74/98/66/776749866.db2.gz GPXIIUCBHHJHRN-GFCCVEGCSA-N 1 0 282.315 2.904 20 5 CFBDRO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)cc(C)c1[N+](=O)[O-] ZINC001229470355 776821974 /nfs/dbraw/zinc/82/19/74/776821974.db2.gz PFIAUYJUHSUXDB-CQSZACIVSA-N 1 0 276.336 2.685 20 5 CFBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC001229466482 776822020 /nfs/dbraw/zinc/82/20/20/776822020.db2.gz PMHSQZXOMDGMRG-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001229961851 776926241 /nfs/dbraw/zinc/92/62/41/776926241.db2.gz DSOJYOJWQXJYFJ-ZDUSSCGKSA-N 1 0 282.727 2.721 20 5 CFBDRO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC1CCC1 ZINC000894176289 776965130 /nfs/dbraw/zinc/96/51/30/776965130.db2.gz LAWVIGSWZPBMJV-UHFFFAOYSA-N 1 0 294.351 2.931 20 5 CFBDRO Cc1cc(O[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001230471825 776996198 /nfs/dbraw/zinc/99/61/98/776996198.db2.gz RNCLYZYJUKCNOC-JTQLQIEISA-N 1 0 252.314 2.541 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc([N+](=O)[O-])c1C ZINC001230476593 776996294 /nfs/dbraw/zinc/99/62/94/776996294.db2.gz BDCCRCSURHICEG-LLVKDONJSA-N 1 0 267.349 2.685 20 5 CFBDRO COC(=O)c1cc(C)c(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001230527686 777004707 /nfs/dbraw/zinc/00/47/07/777004707.db2.gz IAFULIRSGBEADC-CYBMUJFWSA-N 1 0 280.388 2.564 20 5 CFBDRO CC(=O)c1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001230564905 777015393 /nfs/dbraw/zinc/01/53/93/777015393.db2.gz USOPVNRSSYPFLF-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230872311 777078707 /nfs/dbraw/zinc/07/87/07/777078707.db2.gz LVLOUDIMCQYUCD-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO O=[N+]([O-])c1nc(Cl)ccc1OC1CC[NH+](C2CC2)CC1 ZINC001230879339 777079448 /nfs/dbraw/zinc/07/94/48/777079448.db2.gz NYYXEWQXVDKCBI-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1Cl ZINC001230987050 777110523 /nfs/dbraw/zinc/11/05/23/777110523.db2.gz ZCXOOSDLLGOESX-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)c2ccncc2)cc1 ZINC001231026343 777118663 /nfs/dbraw/zinc/11/86/63/777118663.db2.gz VMCXAWHGPJALRZ-CQSZACIVSA-N 1 0 299.394 2.786 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000710811835 777119450 /nfs/dbraw/zinc/11/94/50/777119450.db2.gz PGTRJSRCFKXWLJ-VXGBXAGGSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000710811829 777119489 /nfs/dbraw/zinc/11/94/89/777119489.db2.gz PGTRJSRCFKXWLJ-NWDGAFQWSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1c(F)cc(F)cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711602299 777223873 /nfs/dbraw/zinc/22/38/73/777223873.db2.gz IMVGHJLVTWQTBU-WCQYABFASA-N 1 0 283.278 2.570 20 5 CFBDRO Cc1cc(Cl)c(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001161673129 777502100 /nfs/dbraw/zinc/50/21/00/777502100.db2.gz ZBNQHWGPFMGRHP-UHFFFAOYSA-N 1 0 257.721 2.530 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000713926727 777878917 /nfs/dbraw/zinc/87/89/17/777878917.db2.gz OYEIIHNVXNPSAI-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233598461 778007100 /nfs/dbraw/zinc/00/71/00/778007100.db2.gz ATHRKPXYANCDQE-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(F)cc(F)cc1[N+](=O)[O-] ZINC001233697235 778044968 /nfs/dbraw/zinc/04/49/68/778044968.db2.gz YVHDQANRFAUDNF-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233715488 778052325 /nfs/dbraw/zinc/05/23/25/778052325.db2.gz HDSZSLVMZCLMHF-XYPYZODXSA-N 1 0 299.758 2.895 20 5 CFBDRO CCOc1ccc(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001234231503 778190361 /nfs/dbraw/zinc/19/03/61/778190361.db2.gz JRGGURMVPKQRCY-LLVKDONJSA-N 1 0 256.341 2.698 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C)C1 ZINC001228922439 778208684 /nfs/dbraw/zinc/20/86/84/778208684.db2.gz ZXMNYIAGZXOGAB-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000721873154 778249781 /nfs/dbraw/zinc/24/97/81/778249781.db2.gz WBHJLNLEEMFNQV-LLVKDONJSA-N 1 0 298.770 2.841 20 5 CFBDRO COc1cccc2nc(O[C@H](C)C[N+](C)(C)C)ccc21 ZINC001234576946 778256173 /nfs/dbraw/zinc/25/61/73/778256173.db2.gz OEQRJSCGJSWLHL-GFCCVEGCSA-N 1 0 275.372 2.717 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1ccon1 ZINC001234636689 778270885 /nfs/dbraw/zinc/27/08/85/778270885.db2.gz UMSZCFXRWDBXTC-GFCCVEGCSA-N 1 0 261.345 2.815 20 5 CFBDRO Cc1cc(O[C@H](C)C[NH+](C)C)c(C)c(C)c1[N+](=O)[O-] ZINC001234871965 778316754 /nfs/dbraw/zinc/31/67/54/778316754.db2.gz POHQXOXVLQJDHI-SNVBAGLBSA-N 1 0 266.341 2.849 20 5 CFBDRO COC(=O)c1ccc([C@H](C)O[C@H](C)C[N+](C)(C)C)cc1 ZINC001223756167 778341201 /nfs/dbraw/zinc/34/12/01/778341201.db2.gz WAUWEHOYNVMIAL-OLZOCXBDSA-N 1 0 280.388 2.646 20 5 CFBDRO COc1ccc(OC)c([C@@H](C)OCCC[N+](C)(C)C)c1 ZINC001224622238 778603221 /nfs/dbraw/zinc/60/32/21/778603221.db2.gz GHHJAULOAOBPNR-CYBMUJFWSA-N 1 0 282.404 2.878 20 5 CFBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccc(N(C)C)c1 ZINC001224623475 778603907 /nfs/dbraw/zinc/60/39/07/778603907.db2.gz NRFFXIMCIZFFJN-CQSZACIVSA-N 1 0 265.421 2.927 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1CCc2c1cc(F)cc2F ZINC001224775955 778681161 /nfs/dbraw/zinc/68/11/61/778681161.db2.gz QFIXCHFBPFAGDJ-AWEZNQCLSA-N 1 0 256.316 2.675 20 5 CFBDRO CSc1ncc(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001234283262 779197496 /nfs/dbraw/zinc/19/74/96/779197496.db2.gz PYDGUDRXBDFBOD-LLVKDONJSA-N 1 0 255.407 2.585 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000699549899 779295570 /nfs/dbraw/zinc/29/55/70/779295570.db2.gz XRPWNZMTOPWIJX-JTNHKYCSSA-N 1 0 264.325 2.670 20 5 CFBDRO COC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000721916138 779958396 /nfs/dbraw/zinc/95/83/96/779958396.db2.gz TXAQZQCUNBBWKZ-AWEZNQCLSA-N 1 0 280.368 2.911 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000453164490 780421130 /nfs/dbraw/zinc/42/11/30/780421130.db2.gz ALGRPYJSOMPUCW-GJZGRUSLSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1c(C)c(N[C@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337920 780772885 /nfs/dbraw/zinc/77/28/85/780772885.db2.gz WESBILZYJKAJRQ-CQSZACIVSA-N 1 0 278.356 2.503 20 5 CFBDRO CC(C)CC1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000701490324 780809916 /nfs/dbraw/zinc/80/99/16/780809916.db2.gz ZPCOHBIIAYSYKJ-AWEZNQCLSA-N 1 0 278.352 2.797 20 5 CFBDRO COC1CC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000703121189 780992195 /nfs/dbraw/zinc/99/21/95/780992195.db2.gz RISADKUIIXIULO-CDWSIMAYSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000706954545 781218728 /nfs/dbraw/zinc/21/87/28/781218728.db2.gz ABZVEJDXVOPQKV-KBPBESRZSA-N 1 0 276.336 2.551 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000708695901 781277400 /nfs/dbraw/zinc/27/74/00/781277400.db2.gz PALINVHXLDSNDI-WVSHTKLVSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]([NH2+]CCc1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC000709827858 781318904 /nfs/dbraw/zinc/31/89/04/781318904.db2.gz YOPJGVALBUOJPJ-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001168766171 781887403 /nfs/dbraw/zinc/88/74/03/781887403.db2.gz CWDBILFJYNCTDU-UHFFFAOYSA-N 1 0 286.763 2.643 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000594549318 349444821 /nfs/dbraw/zinc/44/48/21/349444821.db2.gz MECRGZNLSSWSBT-LBPRGKRZSA-N 1 0 293.367 2.570 20 5 CFBDRO Cc1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594599250 349457393 /nfs/dbraw/zinc/45/73/93/349457393.db2.gz INKCVVJLBUVZED-CHWSQXEVSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594604391 349459783 /nfs/dbraw/zinc/45/97/83/349459783.db2.gz YWDKTSXETDBCHB-CHWSQXEVSA-N 1 0 290.367 2.727 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000594713369 349479603 /nfs/dbraw/zinc/47/96/03/349479603.db2.gz DWXAWDFRDSYAAX-CQSZACIVSA-N 1 0 298.408 2.529 20 5 CFBDRO Cc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000594935914 349517549 /nfs/dbraw/zinc/51/75/49/349517549.db2.gz IFJXSWNYFPQFME-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO COCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000594952019 349526273 /nfs/dbraw/zinc/52/62/73/349526273.db2.gz PGYPIUFMJXQANK-UHFFFAOYSA-N 1 0 270.354 2.705 20 5 CFBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594959302 349529437 /nfs/dbraw/zinc/52/94/37/349529437.db2.gz BGHHOFIXAUPOMV-CQSZACIVSA-N 1 0 277.368 2.557 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594955583 349528123 /nfs/dbraw/zinc/52/81/23/349528123.db2.gz CHGMWSVIVHVUBZ-GFCCVEGCSA-N 1 0 295.358 2.696 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594969603 349535288 /nfs/dbraw/zinc/53/52/88/349535288.db2.gz XTXVYVLUBJIAQM-AWEZNQCLSA-N 1 0 291.395 2.866 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594969039 349535372 /nfs/dbraw/zinc/53/53/72/349535372.db2.gz LOYHUQKUHORMEM-XMXMVECOSA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000594979156 349537704 /nfs/dbraw/zinc/53/77/04/349537704.db2.gz FRUZPDJQSSUUJU-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000594985981 349538763 /nfs/dbraw/zinc/53/87/63/349538763.db2.gz RECMXCAUPVJFOB-FZMZJTMJSA-N 1 0 264.325 2.642 20 5 CFBDRO CCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083127187 178339379 /nfs/dbraw/zinc/33/93/79/178339379.db2.gz DQMBIHMRYGGJQG-UHFFFAOYSA-N 1 0 263.297 2.968 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000594986745 349540065 /nfs/dbraw/zinc/54/00/65/349540065.db2.gz HFTRBMKBMUQWNS-CDNPWBLBSA-N 1 0 288.347 2.501 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000594986749 349540158 /nfs/dbraw/zinc/54/01/58/349540158.db2.gz HFTRBMKBMUQWNS-PUZFDUQFSA-N 1 0 288.347 2.501 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008741 349546979 /nfs/dbraw/zinc/54/69/79/349546979.db2.gz QHJSJNHYAHPMJX-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)OC ZINC000595013204 349549419 /nfs/dbraw/zinc/54/94/19/349549419.db2.gz FZQSQBSVBCTMGY-JTQLQIEISA-N 1 0 282.340 2.679 20 5 CFBDRO C[C@@H](CSCCF)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000595014432 349550167 /nfs/dbraw/zinc/55/01/67/349550167.db2.gz PKJXPSORYNTCEW-JTQLQIEISA-N 1 0 272.345 2.776 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000595018099 349551877 /nfs/dbraw/zinc/55/18/77/349551877.db2.gz QBBRIQVDQIAPOK-NEPJUHHUSA-N 1 0 294.351 2.681 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019002 349552301 /nfs/dbraw/zinc/55/23/01/349552301.db2.gz PDOLQTYLPWQNQD-XHDPSFHLSA-N 1 0 296.367 2.805 20 5 CFBDRO COC1([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000595025755 349554698 /nfs/dbraw/zinc/55/46/98/349554698.db2.gz MKZWEGHLRZKPPP-GFCCVEGCSA-N 1 0 278.352 2.685 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)CCO ZINC000595027131 349555539 /nfs/dbraw/zinc/55/55/39/349555539.db2.gz QCGITGKFCAJFPZ-LLVKDONJSA-N 1 0 296.367 2.663 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)C1CCC1)CCC2 ZINC000595056626 349568547 /nfs/dbraw/zinc/56/85/47/349568547.db2.gz OIAVSQSOSXIUDR-HZPDHXFCSA-N 1 0 290.363 2.723 20 5 CFBDRO COC[C@@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000595059731 349570202 /nfs/dbraw/zinc/57/02/02/349570202.db2.gz HXSKRHFRXKGRKC-GXTWGEPZSA-N 1 0 296.367 2.605 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/CO ZINC000595066171 349572244 /nfs/dbraw/zinc/57/22/44/349572244.db2.gz DKQUXPLZKJOBMH-FYJFLYSWSA-N 1 0 296.392 2.604 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595076286 349575590 /nfs/dbraw/zinc/57/55/90/349575590.db2.gz HIYMEYVYQQEXEJ-CFVMTHIKSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595090871 349578307 /nfs/dbraw/zinc/57/83/07/349578307.db2.gz RSGPJGGOEAWITC-JSGCOSHPSA-N 1 0 292.379 2.962 20 5 CFBDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092661 349579156 /nfs/dbraw/zinc/57/91/56/349579156.db2.gz YUVNUMOVMDUWMI-KKUMJFAQSA-N 1 0 290.363 2.939 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105768 349583352 /nfs/dbraw/zinc/58/33/52/349583352.db2.gz YJDCSNLJYHXMNG-UBHSHLNASA-N 1 0 264.325 2.549 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000595070991 349574295 /nfs/dbraw/zinc/57/42/95/349574295.db2.gz WWTATBTUQDRNEN-VXGBXAGGSA-N 1 0 278.352 2.715 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595319736 349601692 /nfs/dbraw/zinc/60/16/92/349601692.db2.gz CWCKQPAWHSPMOP-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000595338154 349605601 /nfs/dbraw/zinc/60/56/01/349605601.db2.gz GENXUGZGYNVSIT-GHMZBOCLSA-N 1 0 264.300 2.966 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595372421 349611331 /nfs/dbraw/zinc/61/13/31/349611331.db2.gz ILLJKEYBYHZTOX-CQSZACIVSA-N 1 0 295.358 2.696 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413354 349618934 /nfs/dbraw/zinc/61/89/34/349618934.db2.gz ZOHIYKZPWYEKTI-PSASIEDQSA-N 1 0 253.302 2.654 20 5 CFBDRO C[C@]1([NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273113010 192046652 /nfs/dbraw/zinc/04/66/52/192046652.db2.gz XVVZJKLWTQKGNV-GJZGRUSLSA-N 1 0 276.336 2.642 20 5 CFBDRO CCC1(CC)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C[C@H]1OC ZINC000595454964 349631427 /nfs/dbraw/zinc/63/14/27/349631427.db2.gz PLKHSVVDPGKZKV-VXGBXAGGSA-N 1 0 297.355 2.575 20 5 CFBDRO Cc1noc(C[N@@H+](CC2CCC2)C(C)C)c1[N+](=O)[O-] ZINC000595464932 349634935 /nfs/dbraw/zinc/63/49/35/349634935.db2.gz JPYKPPVUWAGSEY-UHFFFAOYSA-N 1 0 267.329 2.902 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595519726 349649261 /nfs/dbraw/zinc/64/92/61/349649261.db2.gz BTVBBLCXINZPMC-XHDPSFHLSA-N 1 0 296.342 2.981 20 5 CFBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000780 346879726 /nfs/dbraw/zinc/87/97/26/346879726.db2.gz GHKTZLHHIOSYFD-CYBMUJFWSA-N 1 0 291.351 2.692 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000269765724 190550045 /nfs/dbraw/zinc/55/00/45/190550045.db2.gz FGJQWHVTZVMFOS-QGZVFWFLSA-N 1 0 298.342 2.518 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595560969 349659858 /nfs/dbraw/zinc/65/98/58/349659858.db2.gz YBUCQVJKRRFFGY-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000131901623 529470769 /nfs/dbraw/zinc/47/07/69/529470769.db2.gz KNUMBPDSTWZRNB-JSGCOSHPSA-N 1 0 266.341 2.797 20 5 CFBDRO COCCC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268912250 536667218 /nfs/dbraw/zinc/66/72/18/536667218.db2.gz GOGJJXQNLIMHAP-LBPRGKRZSA-N 1 0 266.341 2.542 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595689169 349701404 /nfs/dbraw/zinc/70/14/04/349701404.db2.gz MQTRKPFVVGAEAJ-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595672276 349695670 /nfs/dbraw/zinc/69/56/70/349695670.db2.gz XYFYBPCIWJFJAQ-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595672279 349695738 /nfs/dbraw/zinc/69/57/38/349695738.db2.gz XYFYBPCIWJFJAQ-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000595679767 349697893 /nfs/dbraw/zinc/69/78/93/349697893.db2.gz XXLOYSNIRIJVRS-CMPLNLGQSA-N 1 0 284.381 2.639 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000595733825 349719922 /nfs/dbraw/zinc/71/99/22/349719922.db2.gz JRZCMJFWUCQAFX-CQSZACIVSA-N 1 0 292.383 2.694 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742768 349721715 /nfs/dbraw/zinc/72/17/15/349721715.db2.gz JSGBRYIYPNQHCX-RSUWNVLCSA-N 1 0 292.379 2.913 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000595704833 349711477 /nfs/dbraw/zinc/71/14/77/349711477.db2.gz WGADBNNMTZYUNR-IUODEOHRSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000595705155 349711521 /nfs/dbraw/zinc/71/15/21/349711521.db2.gz DILAXGPBXMXKRL-TVQRCGJNSA-N 1 0 287.319 2.709 20 5 CFBDRO Cc1noc(C[NH2+]C2(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000595830011 349744352 /nfs/dbraw/zinc/74/43/52/349744352.db2.gz DIAJAPXOFXSLCD-UHFFFAOYSA-N 1 0 253.302 2.560 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595868322 349757602 /nfs/dbraw/zinc/75/76/02/349757602.db2.gz AVVLSAJVEJVFEX-LALPHHSUSA-N 1 0 278.352 2.606 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596098296 349794758 /nfs/dbraw/zinc/79/47/58/349794758.db2.gz KPDQAMBXFAZRQB-JTQLQIEISA-N 1 0 298.774 2.610 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596118725 349798874 /nfs/dbraw/zinc/79/88/74/349798874.db2.gz BXUGYLNPGIGBIK-LLVKDONJSA-N 1 0 281.381 2.861 20 5 CFBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596114628 349798233 /nfs/dbraw/zinc/79/82/33/349798233.db2.gz LKQQJOGMJDMIIQ-LLVKDONJSA-N 1 0 269.370 2.717 20 5 CFBDRO Cc1ncsc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050284855 282232159 /nfs/dbraw/zinc/23/21/59/282232159.db2.gz PRUPXUXBIRTXQW-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072590271 346931773 /nfs/dbraw/zinc/93/17/73/346931773.db2.gz ZGPKMQGRHIVMSL-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000072924457 346949011 /nfs/dbraw/zinc/94/90/11/346949011.db2.gz NQIONBYRFIVOCJ-AWEZNQCLSA-N 1 0 266.341 2.664 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000596306564 349857776 /nfs/dbraw/zinc/85/77/76/349857776.db2.gz GFPZKDIUBKVSNP-SECBINFHSA-N 1 0 269.370 2.941 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000596305910 349858141 /nfs/dbraw/zinc/85/81/41/349858141.db2.gz CTBGXGVQEWLTCQ-CYBMUJFWSA-N 1 0 263.341 2.880 20 5 CFBDRO CN(CC1CC[NH+](C)CC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269667938 529865859 /nfs/dbraw/zinc/86/58/59/529865859.db2.gz WESHJDUWSAUXAL-UHFFFAOYSA-N 1 0 299.321 2.651 20 5 CFBDRO C[N@H+](CCCCNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000413350137 529884397 /nfs/dbraw/zinc/88/43/97/529884397.db2.gz VLPBYRPLKKTHJE-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000128121694 187352630 /nfs/dbraw/zinc/35/26/30/187352630.db2.gz PFXIOXUQYXOUAX-UHFFFAOYSA-N 1 0 289.379 2.559 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000128138040 187354112 /nfs/dbraw/zinc/35/41/12/187354112.db2.gz LNRSSKPRJCWNSB-CABCVRRESA-N 1 0 292.379 2.667 20 5 CFBDRO CSC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000128195908 187356469 /nfs/dbraw/zinc/35/64/69/187356469.db2.gz MKXWECYKSAWGTI-UHFFFAOYSA-N 1 0 260.384 2.888 20 5 CFBDRO C[C@@H](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+](C)C ZINC000596427278 349899774 /nfs/dbraw/zinc/89/97/74/349899774.db2.gz FCUCPDJPKZQRLA-NSHDSACASA-N 1 0 292.383 2.621 20 5 CFBDRO CC[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000074740485 347029651 /nfs/dbraw/zinc/02/96/51/347029651.db2.gz PHWQLPRWCIHOMH-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000074744534 347030308 /nfs/dbraw/zinc/03/03/08/347030308.db2.gz NICQFCWAMWSOPD-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000596488459 349918197 /nfs/dbraw/zinc/91/81/97/349918197.db2.gz PQRZGXORMSXXOW-LLVKDONJSA-N 1 0 296.346 2.661 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)CC ZINC000313146027 260253382 /nfs/dbraw/zinc/25/33/82/260253382.db2.gz WELJFQILYJAFSY-OLZOCXBDSA-N 1 0 286.759 2.887 20 5 CFBDRO CC[C@@H]([NH2+]CC[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000128260573 187359879 /nfs/dbraw/zinc/35/98/79/187359879.db2.gz SKNOIDOAGOUNNA-UONOGXRCSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000157499220 232237146 /nfs/dbraw/zinc/23/71/46/232237146.db2.gz MEJSLHJLMOSPJB-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO Cc1c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000173610596 232278180 /nfs/dbraw/zinc/27/81/80/232278180.db2.gz WNTWFCWSNSUFSB-PHIMTYICSA-N 1 0 291.351 2.715 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000295138882 199366677 /nfs/dbraw/zinc/36/66/77/199366677.db2.gz BXWGXGBKGDSGLW-CQSZACIVSA-N 1 0 294.351 2.651 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(C)(C)CC1 ZINC000127617134 187319562 /nfs/dbraw/zinc/31/95/62/187319562.db2.gz KSEJJSHNZFLTGE-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000046092595 346419681 /nfs/dbraw/zinc/41/96/81/346419681.db2.gz MEWCYBLHGXJHIZ-CYBMUJFWSA-N 1 0 276.336 2.596 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)C1 ZINC000075717120 347094848 /nfs/dbraw/zinc/09/48/48/347094848.db2.gz AFNHLZQCSLJGLC-CHWSQXEVSA-N 1 0 278.352 2.750 20 5 CFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000048400680 346473897 /nfs/dbraw/zinc/47/38/97/346473897.db2.gz IZNYWBQMXPTKCC-CYBMUJFWSA-N 1 0 292.335 2.512 20 5 CFBDRO C[NH2+]C[C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596655100 349969539 /nfs/dbraw/zinc/96/95/39/349969539.db2.gz QVOBHRHXZFVQLI-QMTHXVAHSA-N 1 0 277.368 2.515 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000052103088 346514396 /nfs/dbraw/zinc/51/43/96/346514396.db2.gz MBXZJSRARZSSED-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000085676009 179112598 /nfs/dbraw/zinc/11/25/98/179112598.db2.gz REAAPTVSHJXWOE-YUELXQCFSA-N 1 0 290.363 2.888 20 5 CFBDRO CCC[NH+](CCC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000052869749 346531521 /nfs/dbraw/zinc/53/15/21/346531521.db2.gz GLFHHPBEUDRWTQ-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO Cc1ccc(C[NH2+]C2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000053096501 346537848 /nfs/dbraw/zinc/53/78/48/346537848.db2.gz NTJATXIDUIIEDG-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO CCOC(=O)CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053420831 346546401 /nfs/dbraw/zinc/54/64/01/346546401.db2.gz XKHDETSJBRFRQF-NSHDSACASA-N 1 0 280.324 2.541 20 5 CFBDRO Cc1csc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000060390862 346664481 /nfs/dbraw/zinc/66/44/81/346664481.db2.gz SGMFWFPZQRHUQC-UHFFFAOYSA-N 1 0 283.378 2.754 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057838423 346638835 /nfs/dbraw/zinc/63/88/35/346638835.db2.gz QJSWXLBIPMMXFC-UHFFFAOYSA-N 1 0 263.341 2.562 20 5 CFBDRO CCC[NH+]1CCC(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000066811585 346780916 /nfs/dbraw/zinc/78/09/16/346780916.db2.gz NWUALVTVASBDTA-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CCC1(O)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075859726 347104294 /nfs/dbraw/zinc/10/42/94/347104294.db2.gz GLWMBICEBLKKIT-GFCCVEGCSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076795487 347154288 /nfs/dbraw/zinc/15/42/88/347154288.db2.gz ZYLCNPYAHDQQMX-CYBMUJFWSA-N 1 0 292.383 2.914 20 5 CFBDRO CC1CC[NH+](CCCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000076798374 347154342 /nfs/dbraw/zinc/15/43/42/347154342.db2.gz OJUBLJOYFWFRTN-UHFFFAOYSA-N 1 0 292.383 2.914 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000076158319 347126664 /nfs/dbraw/zinc/12/66/64/347126664.db2.gz HACQJLLGLMWTMX-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)cc1 ZINC000078435129 347252676 /nfs/dbraw/zinc/25/26/76/347252676.db2.gz LZURZHUECXRUQK-UHFFFAOYSA-N 1 0 263.341 2.883 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078559615 347261835 /nfs/dbraw/zinc/26/18/35/347261835.db2.gz WRQWJNFXFAMJTR-GFCCVEGCSA-N 1 0 295.358 2.902 20 5 CFBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000083469677 347451758 /nfs/dbraw/zinc/45/17/58/347451758.db2.gz QDCOQXMOCULKOR-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO CC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000128500262 187374385 /nfs/dbraw/zinc/37/43/85/187374385.db2.gz FNZHCQGPSJHEJY-UHFFFAOYSA-N 1 0 264.325 2.784 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207731 347449456 /nfs/dbraw/zinc/44/94/56/347449456.db2.gz VLVNFKNYPLRKHE-UWVGGRQHSA-N 1 0 275.308 2.966 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000087016559 347489735 /nfs/dbraw/zinc/48/97/35/347489735.db2.gz WSVDXQARVBRQRD-LLVKDONJSA-N 1 0 264.325 2.551 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(O)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000087044031 347491010 /nfs/dbraw/zinc/49/10/10/347491010.db2.gz IWFZMHHYRSPIRG-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000088698940 347507326 /nfs/dbraw/zinc/50/73/26/347507326.db2.gz YHUUAGJJEXQNEN-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO Cc1c(NC(=O)C[C@@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000088276728 347500710 /nfs/dbraw/zinc/50/07/10/347500710.db2.gz UATMYIAGDURVND-LBPRGKRZSA-N 1 0 293.367 2.853 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)CC1 ZINC000090799920 347557543 /nfs/dbraw/zinc/55/75/43/347557543.db2.gz CJKSGHISJUEHLO-LRVUVFPRSA-N 1 0 292.379 2.809 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000091898867 347602611 /nfs/dbraw/zinc/60/26/11/347602611.db2.gz UTZHBQCDDLOCRR-WKIIYXSPSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000090538361 347551895 /nfs/dbraw/zinc/55/18/95/347551895.db2.gz UCEYYOLQCXXYFN-AWEZNQCLSA-N 1 0 280.372 2.740 20 5 CFBDRO COc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093503549 347678306 /nfs/dbraw/zinc/67/83/06/347678306.db2.gz AYIQAYNZLLNHMT-QWRGUYRKSA-N 1 0 294.351 2.700 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000114473484 347772023 /nfs/dbraw/zinc/77/20/23/347772023.db2.gz ZCYWFVWFELXAAO-LLVKDONJSA-N 1 0 266.341 2.998 20 5 CFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000114474764 347772928 /nfs/dbraw/zinc/77/29/28/347772928.db2.gz SYSBHAWPWPIXIJ-LLVKDONJSA-N 1 0 293.367 2.582 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000122025843 347814193 /nfs/dbraw/zinc/81/41/93/347814193.db2.gz VKIYQSPIXFMEDF-LLVKDONJSA-N 1 0 266.341 2.572 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000295146580 199372015 /nfs/dbraw/zinc/37/20/15/199372015.db2.gz CRBDNXNAGFSAQT-GWCFXTLKSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1OCCC1CC[NH2+]CC1 ZINC000134495413 347898794 /nfs/dbraw/zinc/89/87/94/347898794.db2.gz RPBIAMMULCZMIE-UHFFFAOYSA-N 1 0 264.325 2.672 20 5 CFBDRO CCOc1cccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134914390 347902404 /nfs/dbraw/zinc/90/24/04/347902404.db2.gz YBMFREJABRWGCT-LLVKDONJSA-N 1 0 291.351 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CO)CCCCC2)cc1 ZINC000157523566 348000842 /nfs/dbraw/zinc/00/08/42/348000842.db2.gz MSFMNTTUBJSHCS-UHFFFAOYSA-N 1 0 292.379 2.670 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157777766 348002653 /nfs/dbraw/zinc/00/26/53/348002653.db2.gz NLVZJEUETWZWOT-SWLSCSKDSA-N 1 0 289.379 2.730 20 5 CFBDRO CCC(CC)(CO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000158469180 348006851 /nfs/dbraw/zinc/00/68/51/348006851.db2.gz SLTWHRFIKGINJQ-UHFFFAOYSA-N 1 0 280.368 2.526 20 5 CFBDRO CCSCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000167289974 348045401 /nfs/dbraw/zinc/04/54/01/348045401.db2.gz XDFNDDIUZVXFDF-UHFFFAOYSA-N 1 0 268.382 2.870 20 5 CFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173333593 348107618 /nfs/dbraw/zinc/10/76/18/348107618.db2.gz UPJOHJFHCMPZKH-GFCCVEGCSA-N 1 0 299.330 2.884 20 5 CFBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000173489067 348109271 /nfs/dbraw/zinc/10/92/71/348109271.db2.gz FERSNDAQURPROP-NSHDSACASA-N 1 0 294.351 2.713 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128755522 187388360 /nfs/dbraw/zinc/38/83/60/187388360.db2.gz CJIOEXAPRNPGKJ-SNVBAGLBSA-N 1 0 295.314 2.547 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000086873585 179364524 /nfs/dbraw/zinc/36/45/24/179364524.db2.gz UFXCECCVHHJKOY-AAEUAGOBSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227650194 348189527 /nfs/dbraw/zinc/18/95/27/348189527.db2.gz OXVBUZSYSQMHGZ-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000227888153 348191671 /nfs/dbraw/zinc/19/16/71/348191671.db2.gz VTZFWJXPGPJMIK-SECBINFHSA-N 1 0 297.305 2.769 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000231884464 348209963 /nfs/dbraw/zinc/20/99/63/348209963.db2.gz ONLLPXMFKYTVBT-UONOGXRCSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000232131191 348210856 /nfs/dbraw/zinc/21/08/56/348210856.db2.gz HDESJWZYJJHWOY-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087012298 179378926 /nfs/dbraw/zinc/37/89/26/179378926.db2.gz JOPQUYYJFZKUSS-FZMZJTMJSA-N 1 0 266.341 2.715 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414119 348295387 /nfs/dbraw/zinc/29/53/87/348295387.db2.gz GXUMFSXYMCVMSA-DZGCQCFKSA-N 1 0 289.379 2.559 20 5 CFBDRO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000255162921 348302880 /nfs/dbraw/zinc/30/28/80/348302880.db2.gz HMHWXKIOJPIKMA-IRBQFCFKSA-N 1 0 276.336 2.719 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290796980 197821769 /nfs/dbraw/zinc/82/17/69/197821769.db2.gz DJRTVDGOKXXALI-SNVBAGLBSA-N 1 0 299.396 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)CC2)c(Cl)c1 ZINC000293088669 348361464 /nfs/dbraw/zinc/36/14/64/348361464.db2.gz KDUICKLEJHEPKE-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CF)cc1 ZINC000293188157 348361529 /nfs/dbraw/zinc/36/15/29/348361529.db2.gz WIRCIADKAQTFSG-ZDUSSCGKSA-N 1 0 252.289 2.571 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000311801726 348414443 /nfs/dbraw/zinc/41/44/43/348414443.db2.gz BQHFBYROLLQEKZ-MWLCHTKSSA-N 1 0 282.365 2.587 20 5 CFBDRO C[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000311877155 348415346 /nfs/dbraw/zinc/41/53/46/348415346.db2.gz TZXPUJSDPIWQEX-QMMMGPOBSA-N 1 0 273.283 2.894 20 5 CFBDRO CC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000308512348 348404286 /nfs/dbraw/zinc/40/42/86/348404286.db2.gz LTVBSNVVCGOPKX-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000314758104 348426801 /nfs/dbraw/zinc/42/68/01/348426801.db2.gz RTMRNWAFJBZHQD-HNNXBMFYSA-N 1 0 294.351 2.508 20 5 CFBDRO [NH3+]C[C@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328572910 348441291 /nfs/dbraw/zinc/44/12/91/348441291.db2.gz VEJPILZJHNBDFD-CQSZACIVSA-N 1 0 297.358 2.732 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCSC1 ZINC000273431723 192147339 /nfs/dbraw/zinc/14/73/39/192147339.db2.gz UDOFKSUHHVJHFZ-LBPRGKRZSA-N 1 0 266.366 2.888 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cs1 ZINC000403468179 348585312 /nfs/dbraw/zinc/58/53/12/348585312.db2.gz NWNNPMGNPKBSRQ-GARJFASQSA-N 1 0 252.339 2.935 20 5 CFBDRO C[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404374368 348591473 /nfs/dbraw/zinc/59/14/73/348591473.db2.gz RRRVQPCWLCNDTA-MWLCHTKSSA-N 1 0 298.774 2.597 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000584590236 348681131 /nfs/dbraw/zinc/68/11/31/348681131.db2.gz RJXZBBJPYCYWKD-GRYCIOLGSA-N 1 0 264.325 2.731 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000584750555 348711636 /nfs/dbraw/zinc/71/16/36/348711636.db2.gz MVTWOGSLSNJTAY-YPMHNXCESA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586779985 348751512 /nfs/dbraw/zinc/75/15/12/348751512.db2.gz RZEOZABMDPQJOW-KWQFWETISA-N 1 0 293.348 2.577 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496848 348835768 /nfs/dbraw/zinc/83/57/68/348835768.db2.gz QWFYCZQVBNTFDI-CYBMUJFWSA-N 1 0 292.335 2.756 20 5 CFBDRO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000589877331 348862552 /nfs/dbraw/zinc/86/25/52/348862552.db2.gz VLESAJJACGYTLR-LLVKDONJSA-N 1 0 295.408 2.967 20 5 CFBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590778032 348948060 /nfs/dbraw/zinc/94/80/60/348948060.db2.gz WTOKGBJZLINPCG-LLVKDONJSA-N 1 0 293.367 2.948 20 5 CFBDRO C[N@H+](CCCCNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000591166372 348996178 /nfs/dbraw/zinc/99/61/78/348996178.db2.gz HKFSTMNVMOPQPZ-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000590956729 348972354 /nfs/dbraw/zinc/97/23/54/348972354.db2.gz UYULVYUBEJTFDX-UHFFFAOYSA-N 1 0 297.358 2.811 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000591266081 349005251 /nfs/dbraw/zinc/00/52/51/349005251.db2.gz YOZYKLDFGXTPMO-KWQFWETISA-N 1 0 256.252 2.728 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000591348372 349011013 /nfs/dbraw/zinc/01/10/13/349011013.db2.gz ZWPGTTUBMZHPSO-CHWSQXEVSA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591451252 349023046 /nfs/dbraw/zinc/02/30/46/349023046.db2.gz VWEQSUXDJPCNIF-XJKSGUPXSA-N 1 0 289.379 2.731 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447867 349023538 /nfs/dbraw/zinc/02/35/38/349023538.db2.gz BCGJBKJHARYLSU-ZENOOKHLSA-N 1 0 289.379 2.648 20 5 CFBDRO CC[N@H+](CCSC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592201161 349099603 /nfs/dbraw/zinc/09/96/03/349099603.db2.gz CLZZXQTUUJYAQX-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO O=[N+]([O-])c1cccc(/C=C/c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592357461 349108696 /nfs/dbraw/zinc/10/86/96/349108696.db2.gz GCCABFCGASKLBJ-NNNHXZLVSA-N 1 0 286.291 2.573 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592372551 349110587 /nfs/dbraw/zinc/11/05/87/349110587.db2.gz KVMONPIVVWSNAF-VIFPVBQESA-N 1 0 258.268 2.976 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(CO)cc1 ZINC000592372102 349110673 /nfs/dbraw/zinc/11/06/73/349110673.db2.gz JCBXWDXZEIPNOP-UHFFFAOYSA-N 1 0 286.331 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCS[C@H]1C ZINC000592379967 349112680 /nfs/dbraw/zinc/11/26/80/349112680.db2.gz DMVMPHSISLOVBN-GXFFZTMASA-N 1 0 266.366 2.887 20 5 CFBDRO CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427646 349118518 /nfs/dbraw/zinc/11/85/18/349118518.db2.gz MLGZFDXMHXKGJF-BBUPELFUSA-N 1 0 289.379 2.667 20 5 CFBDRO CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592520738 349131101 /nfs/dbraw/zinc/13/11/01/349131101.db2.gz QFNBGQUYIIMTOU-GFCCVEGCSA-N 1 0 283.397 2.572 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C(C)(C)C)c1 ZINC000593036302 349191332 /nfs/dbraw/zinc/19/13/32/349191332.db2.gz XYCYGXVYARNBFL-UHFFFAOYSA-N 1 0 280.324 2.612 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593067369 349200090 /nfs/dbraw/zinc/20/00/90/349200090.db2.gz JLLPQPLIWZGBAH-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CNc3ccccc3C2)c1 ZINC000593317685 349246399 /nfs/dbraw/zinc/24/63/99/349246399.db2.gz UXKBPRSBSLHSPO-CQSZACIVSA-N 1 0 283.331 2.721 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593681353 349309549 /nfs/dbraw/zinc/30/95/49/349309549.db2.gz FOHMAWARIXHIAF-NSHDSACASA-N 1 0 294.351 2.508 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1(CO)CCC1 ZINC000593694163 349311444 /nfs/dbraw/zinc/31/14/44/349311444.db2.gz XCEBTAQFBPZINM-ZZXKWVIFSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCCO1 ZINC000594490612 349428429 /nfs/dbraw/zinc/42/84/29/349428429.db2.gz NPVAPKQMKFPQJX-RISCZKNCSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597062555 350024246 /nfs/dbraw/zinc/02/42/46/350024246.db2.gz VJSZQKSQBFKXTR-HZSPNIEDSA-N 1 0 260.337 2.916 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CN(C)Cc1c[nH]cn1 ZINC000597171636 350043577 /nfs/dbraw/zinc/04/35/77/350043577.db2.gz YBEZSDBEZVMMIH-SDQBBNPISA-N 1 0 286.335 2.853 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597207637 350055926 /nfs/dbraw/zinc/05/59/26/350055926.db2.gz ZPPPPJACEIXHIC-MRXNPFEDSA-N 1 0 290.363 2.640 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000271218903 191010076 /nfs/dbraw/zinc/01/00/76/191010076.db2.gz ZJKAKYGKQPCPAI-INIZCTEOSA-N 1 0 292.379 2.764 20 5 CFBDRO Cc1cnc(NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000090691961 180024823 /nfs/dbraw/zinc/02/48/23/180024823.db2.gz FUCRKYSCXKRZPU-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414511533 233276182 /nfs/dbraw/zinc/27/61/82/233276182.db2.gz GXRMNFVUAMSPPJ-YWVKMMECSA-N 1 0 270.354 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414576421 233297504 /nfs/dbraw/zinc/29/75/04/233297504.db2.gz GAVPGHQUQSEUPW-CHWSQXEVSA-N 1 0 258.277 2.834 20 5 CFBDRO Cc1ccc(NC(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000414668745 233319804 /nfs/dbraw/zinc/31/98/04/233319804.db2.gz ZEZWLPAWSSOISN-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000271301399 191059632 /nfs/dbraw/zinc/05/96/32/191059632.db2.gz UULJEZUPIXPLDF-DGCLKSJQSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000091399963 180147164 /nfs/dbraw/zinc/14/71/64/180147164.db2.gz HZRDTHCLDSELEV-OAHLLOKOSA-N 1 0 286.335 2.532 20 5 CFBDRO COCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104959626 186033888 /nfs/dbraw/zinc/03/38/88/186033888.db2.gz INHGOGIKGYMXPP-UHFFFAOYSA-N 1 0 296.367 2.897 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000091859806 180275502 /nfs/dbraw/zinc/27/55/02/180275502.db2.gz AGBXNFNDTCRBDJ-WDEREUQCSA-N 1 0 294.351 2.842 20 5 CFBDRO COc1cc(C[NH2+]CC2CC(C)C2)c([N+](=O)[O-])cc1OC ZINC000598649470 350302493 /nfs/dbraw/zinc/30/24/93/350302493.db2.gz XQJNDSSRZGQSBA-UHFFFAOYSA-N 1 0 294.351 2.748 20 5 CFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598682827 350309960 /nfs/dbraw/zinc/30/99/60/350309960.db2.gz PFASIHYEONEHSP-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000598938595 350347116 /nfs/dbraw/zinc/34/71/16/350347116.db2.gz FEYNHLKJUJBBSF-GHXNOFRVSA-N 1 0 298.346 2.780 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598960954 350349646 /nfs/dbraw/zinc/34/96/46/350349646.db2.gz QGPAUTXWOWEAMA-UVBJJODRSA-N 1 0 290.363 2.998 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000598991222 350355454 /nfs/dbraw/zinc/35/54/54/350355454.db2.gz MDTVPKJCHALUDE-LBPRGKRZSA-N 1 0 284.331 2.621 20 5 CFBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000598998836 350357486 /nfs/dbraw/zinc/35/74/86/350357486.db2.gz INQFBWBRKVPUEY-ZDUSSCGKSA-N 1 0 295.408 2.763 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599000047 350357495 /nfs/dbraw/zinc/35/74/95/350357495.db2.gz RGVHQCJLWUXNRU-VEABSNGSSA-N 1 0 294.351 2.505 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599001145 350357569 /nfs/dbraw/zinc/35/75/69/350357569.db2.gz XYLIBYCJOOQALC-HNNXBMFYSA-N 1 0 289.379 2.701 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599017385 350359889 /nfs/dbraw/zinc/35/98/89/350359889.db2.gz YJDPOWSFHVNFLE-HOMQSWHASA-N 1 0 270.716 2.515 20 5 CFBDRO CCC(CC)[NH2+]CCNc1sccc1[N+](=O)[O-] ZINC000599098720 350376067 /nfs/dbraw/zinc/37/60/67/350376067.db2.gz YVCAZIHWSRTOMS-UHFFFAOYSA-N 1 0 257.359 2.846 20 5 CFBDRO C[C@H](CCNc1ccc2cnccc2c1[N+](=O)[O-])[NH+](C)C ZINC000599102178 350376515 /nfs/dbraw/zinc/37/65/15/350376515.db2.gz OWNZBKGBGPDRJK-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599127170 350381223 /nfs/dbraw/zinc/38/12/23/350381223.db2.gz QMNSBYOTPLFVPO-CYBMUJFWSA-N 1 0 290.367 2.809 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599139007 350382828 /nfs/dbraw/zinc/38/28/28/350382828.db2.gz MLEDSTUUWMJHPV-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO O=C(CC[NH+](C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599598011 350462358 /nfs/dbraw/zinc/46/23/58/350462358.db2.gz CPXQJEATWKYOJI-UHFFFAOYSA-N 1 0 289.335 2.550 20 5 CFBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600707515 350598158 /nfs/dbraw/zinc/59/81/58/350598158.db2.gz HWJIUACTQKDTEE-FZMZJTMJSA-N 1 0 275.352 2.530 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000600709225 350599449 /nfs/dbraw/zinc/59/94/49/350599449.db2.gz GLFBKPRKOCEYSP-ARFHVFGLSA-N 1 0 289.379 2.702 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000600711534 350600044 /nfs/dbraw/zinc/60/00/44/350600044.db2.gz UWOWIFZAOAKUCM-FPMFFAJLSA-N 1 0 277.368 2.694 20 5 CFBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000600712909 350600264 /nfs/dbraw/zinc/60/02/64/350600264.db2.gz CTPLIIQLUNQQMO-COLVAYQJSA-N 1 0 289.379 2.657 20 5 CFBDRO C[NH2+]Cc1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1C ZINC000600782550 350610527 /nfs/dbraw/zinc/61/05/27/350610527.db2.gz MXOLIPVRFDPWHO-UHFFFAOYSA-N 1 0 286.331 2.782 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc([C@@H]3COCC[NH2+]3)cc2)cc1 ZINC000600787324 350611339 /nfs/dbraw/zinc/61/13/39/350611339.db2.gz ZNMWKLZFEULXNY-INIZCTEOSA-N 1 0 284.315 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc([C@H]3COCC[NH2+]3)c2)cc1 ZINC000600786746 350611410 /nfs/dbraw/zinc/61/14/10/350611410.db2.gz RXPRXUJYGLBWNL-MRXNPFEDSA-N 1 0 284.315 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc([C@@H]3CC[NH2+]C3)c2)cn1 ZINC000600787935 350611454 /nfs/dbraw/zinc/61/14/54/350611454.db2.gz ACCOJPMKALVKIK-CQSZACIVSA-N 1 0 269.304 2.734 20 5 CFBDRO C[C@H]1Cc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2C[NH2+]1 ZINC000600784190 350611615 /nfs/dbraw/zinc/61/16/15/350611615.db2.gz YXPPGGHSRUULNC-NSHDSACASA-N 1 0 298.342 2.788 20 5 CFBDRO C[C@H]1Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2C[NH2+]1 ZINC000600788338 350611878 /nfs/dbraw/zinc/61/18/78/350611878.db2.gz ICDFPTRJACJHMW-JTQLQIEISA-N 1 0 269.304 2.691 20 5 CFBDRO CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553280 535148909 /nfs/dbraw/zinc/14/89/09/535148909.db2.gz YAXNKQKNHVDFRL-GDBMZVCRSA-N 1 0 292.379 2.791 20 5 CFBDRO C[C@@H](Nc1ncc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000601119629 350673667 /nfs/dbraw/zinc/67/36/67/350673667.db2.gz UWHMKIWOBHLTAY-SECBINFHSA-N 1 0 284.335 2.517 20 5 CFBDRO COc1cc(NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000111050119 186348259 /nfs/dbraw/zinc/34/82/59/186348259.db2.gz RNNJADHHSLYYBC-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO CCOc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048958 186348646 /nfs/dbraw/zinc/34/86/46/186348646.db2.gz SDUARNFXPZIQNQ-GFCCVEGCSA-N 1 0 291.351 2.642 20 5 CFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601124789 350675484 /nfs/dbraw/zinc/67/54/84/350675484.db2.gz SYULDPNQQAIKHT-GFCCVEGCSA-N 1 0 295.408 2.824 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601149558 350682279 /nfs/dbraw/zinc/68/22/79/350682279.db2.gz MXEBLMNQEMSRMS-HHRWBZFWSA-N 1 0 276.336 2.764 20 5 CFBDRO COc1cc(CNCc2ccc(C)o2)c([N+](=O)[O-])cc1O ZINC000601151770 350683104 /nfs/dbraw/zinc/68/31/04/350683104.db2.gz DRROOZPHQXTESS-UHFFFAOYSA-N 1 0 292.291 2.500 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601160505 350685373 /nfs/dbraw/zinc/68/53/73/350685373.db2.gz WTIZOYAFCPDDIA-GHMZBOCLSA-N 1 0 274.242 2.944 20 5 CFBDRO C[C@H]1CC[C@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)O1 ZINC000601173235 350688819 /nfs/dbraw/zinc/68/88/19/350688819.db2.gz TUTNFCZWHPZDTC-CMPLNLGQSA-N 1 0 287.319 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](O)C(F)F ZINC000601298719 350719113 /nfs/dbraw/zinc/71/91/13/350719113.db2.gz JKPUWVGZBCIPHU-CABZTGNLSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000601300833 350720222 /nfs/dbraw/zinc/72/02/22/350720222.db2.gz JVTIHFYKWIYSNN-VAOFZXAKSA-N 1 0 292.257 2.557 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCn2nccc21 ZINC000601320657 350723666 /nfs/dbraw/zinc/72/36/66/350723666.db2.gz IIHLCWZNFQBWOR-KBPBESRZSA-N 1 0 298.346 2.903 20 5 CFBDRO Cc1ccc(CN2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000601327140 350724441 /nfs/dbraw/zinc/72/44/41/350724441.db2.gz RLPWHDSYMHIOGE-AWEZNQCLSA-N 1 0 277.368 2.607 20 5 CFBDRO CC1(C)C[NH2+]CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000601972767 350821904 /nfs/dbraw/zinc/82/19/04/350821904.db2.gz OYAVOHXJMOBTOO-NSHDSACASA-N 1 0 283.397 2.524 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601983844 350823500 /nfs/dbraw/zinc/82/35/00/350823500.db2.gz PLKBNELSQOWRPU-NSHDSACASA-N 1 0 293.367 2.794 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCCC[C@@H]([NH3+])C1 ZINC000602023500 350834997 /nfs/dbraw/zinc/83/49/97/350834997.db2.gz WQWINIKJUBAAAG-CQSZACIVSA-N 1 0 277.368 2.607 20 5 CFBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602483250 350902365 /nfs/dbraw/zinc/90/23/65/350902365.db2.gz FTODNNOQMNORGO-CYBMUJFWSA-N 1 0 280.372 2.873 20 5 CFBDRO CC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000602509869 350909511 /nfs/dbraw/zinc/90/95/11/350909511.db2.gz VLMHMEMPCUNQNQ-HNNXBMFYSA-N 1 0 291.395 2.601 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCSCC3)nc2c1 ZINC000602545206 350919307 /nfs/dbraw/zinc/91/93/07/350919307.db2.gz VDSPPZRKJCVFMV-UHFFFAOYSA-N 1 0 293.348 2.721 20 5 CFBDRO CCOC1CC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602549631 350921458 /nfs/dbraw/zinc/92/14/58/350921458.db2.gz IWCHSQISVXREME-UHFFFAOYSA-N 1 0 278.352 2.542 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000602561870 350924939 /nfs/dbraw/zinc/92/49/39/350924939.db2.gz QDJWBDLGHVLWMA-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000602579775 350932819 /nfs/dbraw/zinc/93/28/19/350932819.db2.gz GUFOVAUMCZGMAN-JQWIXIFHSA-N 1 0 266.366 2.621 20 5 CFBDRO CC[C@@H](C)[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602580451 350932834 /nfs/dbraw/zinc/93/28/34/350932834.db2.gz NCDBLWKQQKDUOW-DOMZBBRYSA-N 1 0 280.368 2.788 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2CCSCC2)c1 ZINC000602581670 350933517 /nfs/dbraw/zinc/93/35/17/350933517.db2.gz ZGXYUTUMRKLIEY-UHFFFAOYSA-N 1 0 280.393 2.870 20 5 CFBDRO O=c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c[nH]1 ZINC000602438702 350882806 /nfs/dbraw/zinc/88/28/06/350882806.db2.gz HPBFZWSZUMBHFX-UHFFFAOYSA-N 1 0 299.330 2.860 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602474505 350895798 /nfs/dbraw/zinc/89/57/98/350895798.db2.gz XFVIAKNCBFSBSX-GFCCVEGCSA-N 1 0 280.372 2.586 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602474507 350896012 /nfs/dbraw/zinc/89/60/12/350896012.db2.gz XFVIAKNCBFSBSX-LBPRGKRZSA-N 1 0 280.372 2.586 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCSC3)nc2c1 ZINC000602643117 350958934 /nfs/dbraw/zinc/95/89/34/350958934.db2.gz IJRRIPPURXUDNB-VIFPVBQESA-N 1 0 293.348 2.579 20 5 CFBDRO C[N@H+](CCC[C@H]1CCO1)CCc1ccccc1[N+](=O)[O-] ZINC000602651046 350961630 /nfs/dbraw/zinc/96/16/30/350961630.db2.gz OSNXVPFIGOUBTA-AWEZNQCLSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000602705336 350989944 /nfs/dbraw/zinc/98/99/44/350989944.db2.gz JMHRKILODANEHY-CYBMUJFWSA-N 1 0 285.347 2.926 20 5 CFBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000602711931 350994007 /nfs/dbraw/zinc/99/40/07/350994007.db2.gz SNRJDIZNADJFOH-DOMZBBRYSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3CC3(F)F)nc2c1 ZINC000602716058 350996560 /nfs/dbraw/zinc/99/65/60/350996560.db2.gz RJCCYVVOZSXFAY-QMMMGPOBSA-N 1 0 297.261 2.871 20 5 CFBDRO CC(C)(C)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602730764 351004242 /nfs/dbraw/zinc/00/42/42/351004242.db2.gz GIWSTTKZAXSCND-HNNXBMFYSA-N 1 0 280.368 2.828 20 5 CFBDRO CO[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602624474 350951015 /nfs/dbraw/zinc/95/10/15/350951015.db2.gz BPPFNKBBGTTWPC-MRVPVSSYSA-N 1 0 292.257 2.738 20 5 CFBDRO CC[C@@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602781044 351022702 /nfs/dbraw/zinc/02/27/02/351022702.db2.gz GOFSIWHBWDTYKD-AWEZNQCLSA-N 1 0 280.372 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC(C)(C)CC1 ZINC000602784491 351025191 /nfs/dbraw/zinc/02/51/91/351025191.db2.gz RKMHJZBMUVRKRP-UHFFFAOYSA-N 1 0 280.372 2.612 20 5 CFBDRO C[C@@H]1OCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796754 351029345 /nfs/dbraw/zinc/02/93/45/351029345.db2.gz FTFNBHHPAYFPST-GXTWGEPZSA-N 1 0 290.363 2.984 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602805072 351032987 /nfs/dbraw/zinc/03/29/87/351032987.db2.gz LOJJMZWYWHFMMX-CYBMUJFWSA-N 1 0 280.372 2.777 20 5 CFBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807484 351033509 /nfs/dbraw/zinc/03/35/09/351033509.db2.gz AYEZXNBYFYBLIR-YPMHNXCESA-N 1 0 280.372 2.777 20 5 CFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccns1 ZINC000602880449 351056236 /nfs/dbraw/zinc/05/62/36/351056236.db2.gz ACOCAXBVBADUMM-UHFFFAOYSA-N 1 0 293.348 2.562 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCC1CC1)CC1CC1 ZINC000602903185 351061588 /nfs/dbraw/zinc/06/15/88/351061588.db2.gz CSYFKMSVGCAQOB-UHFFFAOYSA-N 1 0 292.383 2.612 20 5 CFBDRO CC[C@@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000602741854 351011119 /nfs/dbraw/zinc/01/11/19/351011119.db2.gz WJIHHUJNLPVFSQ-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO CC[C@@]1(O)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602741850 351011235 /nfs/dbraw/zinc/01/12/35/351011235.db2.gz WJACGAAHNSGADI-KQQSKNTNSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@](CO)([NH2+]CCCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963275 351073392 /nfs/dbraw/zinc/07/33/92/351073392.db2.gz UFWRKGLXYXZSAL-MRXNPFEDSA-N 1 0 292.379 2.972 20 5 CFBDRO C[NH+](C)C1(CNc2cccnc2[N+](=O)[O-])CCCCC1 ZINC000603837308 351184188 /nfs/dbraw/zinc/18/41/88/351184188.db2.gz GVZXCHADEOVWKA-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1C2CCC1CC2 ZINC000603846053 351185672 /nfs/dbraw/zinc/18/56/72/351185672.db2.gz YOIPFAHPASAVMD-UHFFFAOYSA-N 1 0 262.309 2.600 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409231 351211702 /nfs/dbraw/zinc/21/17/02/351211702.db2.gz GSMMXHPGUAKLAJ-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609354075 351498370 /nfs/dbraw/zinc/49/83/70/351498370.db2.gz JIILEVNPGYHQDS-VXGBXAGGSA-N 1 0 278.356 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000609384276 351499828 /nfs/dbraw/zinc/49/98/28/351499828.db2.gz CNCVCCLHCNYDCX-LLVKDONJSA-N 1 0 279.315 2.630 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000609385914 351500475 /nfs/dbraw/zinc/50/04/75/351500475.db2.gz HEJDMHHPSKNSLM-GFCCVEGCSA-N 1 0 295.358 2.696 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000610132575 351535377 /nfs/dbraw/zinc/53/53/77/351535377.db2.gz DPWTWBVQDVRYFA-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610133407 351535920 /nfs/dbraw/zinc/53/59/20/351535920.db2.gz MVEPLCGEVPQKPF-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CC1CC1)C1CCCCC1 ZINC000610476344 351569049 /nfs/dbraw/zinc/56/90/49/351569049.db2.gz PQAGEDOGTZWPMS-UHFFFAOYSA-N 1 0 292.383 2.873 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000610550189 351581547 /nfs/dbraw/zinc/58/15/47/351581547.db2.gz GWZSGSAXKOHDRC-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000610575710 351582662 /nfs/dbraw/zinc/58/26/62/351582662.db2.gz AFQFGZSSZVEEIB-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cc(NCC2(O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000130449347 187494728 /nfs/dbraw/zinc/49/47/28/187494728.db2.gz UEBRRMXQWBKYGC-UHFFFAOYSA-N 1 0 287.319 2.778 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000610804162 351609789 /nfs/dbraw/zinc/60/97/89/351609789.db2.gz FXYBPKLEQBAZNM-CHWSQXEVSA-N 1 0 277.368 2.648 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000610807998 351610719 /nfs/dbraw/zinc/61/07/19/351610719.db2.gz GWIQTMKAIJAOHD-WDEREUQCSA-N 1 0 281.381 2.577 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092284 351639882 /nfs/dbraw/zinc/63/98/82/351639882.db2.gz NLQNSYYMNVEDEE-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929176 351622590 /nfs/dbraw/zinc/62/25/90/351622590.db2.gz WNMJPLZJXJICDE-LLVKDONJSA-N 1 0 298.774 2.930 20 5 CFBDRO C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000611413138 351686077 /nfs/dbraw/zinc/68/60/77/351686077.db2.gz UEHYNJVQJGOIBX-RKDXNWHRSA-N 1 0 255.343 2.551 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000611470230 351693810 /nfs/dbraw/zinc/69/38/10/351693810.db2.gz PJQBOHQNPXJYPA-GHMZBOCLSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(C)O ZINC000611470305 351694090 /nfs/dbraw/zinc/69/40/90/351694090.db2.gz WYRJSVAMRVZUJB-NEPJUHHUSA-N 1 0 280.368 2.665 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cocn1 ZINC000611474521 351694972 /nfs/dbraw/zinc/69/49/72/351694972.db2.gz WXOZHBXTKJWEDF-NSHDSACASA-N 1 0 275.308 2.694 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000611515574 351702318 /nfs/dbraw/zinc/70/23/18/351702318.db2.gz FGHQLPGLZMPFQT-ZDUSSCGKSA-N 1 0 276.336 2.978 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285457 351664275 /nfs/dbraw/zinc/66/42/75/351664275.db2.gz FAOZMAJUZLJTAH-WDEREUQCSA-N 1 0 292.335 2.596 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616641 351714658 /nfs/dbraw/zinc/71/46/58/351714658.db2.gz IWYWXPRWTAFPOK-CYBMUJFWSA-N 1 0 292.383 2.750 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616929 351715073 /nfs/dbraw/zinc/71/50/73/351715073.db2.gz YGGQWSGVINYADP-LBPRGKRZSA-N 1 0 278.356 2.503 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123144658 187073629 /nfs/dbraw/zinc/07/36/29/187073629.db2.gz ZQYOUIVFTDJKQP-GXTWGEPZSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC1 ZINC000122437948 187032381 /nfs/dbraw/zinc/03/23/81/187032381.db2.gz UFBONXOYVWUCEM-RISCZKNCSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000122922242 187059660 /nfs/dbraw/zinc/05/96/60/187059660.db2.gz IBQOYLKLUNSXCG-GFCCVEGCSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122992481 187064342 /nfs/dbraw/zinc/06/43/42/187064342.db2.gz LUPZLJAYIMEOPY-NXEZZACHSA-N 1 0 279.315 2.771 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000123005741 187065820 /nfs/dbraw/zinc/06/58/20/187065820.db2.gz QHDDZBLPQXQBKG-VXGBXAGGSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1cnn(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000124025818 187119250 /nfs/dbraw/zinc/11/92/50/187119250.db2.gz GCVWLRFJTTVHDZ-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000123268498 187081449 /nfs/dbraw/zinc/08/14/49/187081449.db2.gz VQTJRDUDPZITIZ-DZGCQCFKSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000123308990 187084558 /nfs/dbraw/zinc/08/45/58/187084558.db2.gz PTGTUQUOLINIHR-VXGBXAGGSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000123626734 187101790 /nfs/dbraw/zinc/10/17/90/187101790.db2.gz WKIMMOCIHAGJDJ-DOMZBBRYSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123644154 187102289 /nfs/dbraw/zinc/10/22/89/187102289.db2.gz CNASNPKRHUDGTP-CMPLNLGQSA-N 1 0 283.397 2.571 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000123647273 187102694 /nfs/dbraw/zinc/10/26/94/187102694.db2.gz PITRVCGIEHDVFE-YPMHNXCESA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123807423 187110010 /nfs/dbraw/zinc/11/00/10/187110010.db2.gz AVGOURUPFDPWLP-JSGCOSHPSA-N 1 0 277.368 2.509 20 5 CFBDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000271454701 191147236 /nfs/dbraw/zinc/14/72/36/191147236.db2.gz GODREJOMRZTNAA-KWQFWETISA-N 1 0 292.257 2.559 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000131737194 187585020 /nfs/dbraw/zinc/58/50/20/187585020.db2.gz JLNPPSSMBKENCM-SDDRHHMPSA-N 1 0 266.341 2.571 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)nc2c1 ZINC000614261520 352072010 /nfs/dbraw/zinc/07/20/10/352072010.db2.gz IGAJXASKSREPMB-PHIMTYICSA-N 1 0 286.335 2.703 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3C[C@@H]4CCC[C@H]4C3)nc2c1 ZINC000614261521 352072173 /nfs/dbraw/zinc/07/21/73/352072173.db2.gz IGAJXASKSREPMB-QWRGUYRKSA-N 1 0 286.335 2.703 20 5 CFBDRO Cc1cccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000614975806 352138560 /nfs/dbraw/zinc/13/85/60/352138560.db2.gz BRAHXIPSSODKHM-CYBMUJFWSA-N 1 0 277.368 2.870 20 5 CFBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271497306 191174296 /nfs/dbraw/zinc/17/42/96/191174296.db2.gz KCYXRVWGWPXRCA-NEPJUHHUSA-N 1 0 284.381 2.950 20 5 CFBDRO CC[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000616487689 352358348 /nfs/dbraw/zinc/35/83/48/352358348.db2.gz CGAFUWNAMKZUBG-PKYBCLHXSA-N 1 0 276.336 2.767 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532708 191195465 /nfs/dbraw/zinc/19/54/65/191195465.db2.gz MNKNKEATFJUTRV-UXIGCNINSA-N 1 0 278.352 2.891 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292075321 198154191 /nfs/dbraw/zinc/15/41/91/198154191.db2.gz FALHMAAZLJCASD-CYBMUJFWSA-N 1 0 291.395 2.904 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000134482771 187753571 /nfs/dbraw/zinc/75/35/71/187753571.db2.gz ZNJJHTSVICROSV-GFCCVEGCSA-N 1 0 278.352 2.808 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271576490 191222158 /nfs/dbraw/zinc/22/21/58/191222158.db2.gz ZYGMYEIAHWGTRU-BDAKNGLRSA-N 1 0 272.732 2.761 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](C(F)F)C3)nc2c1 ZINC000618291156 352749630 /nfs/dbraw/zinc/74/96/30/352749630.db2.gz PBIMZRQOUBTYNT-QMMMGPOBSA-N 1 0 296.277 2.558 20 5 CFBDRO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000618569101 352812097 /nfs/dbraw/zinc/81/20/97/352812097.db2.gz HKUSSTNIXYSDBS-OAHLLOKOSA-N 1 0 286.335 2.794 20 5 CFBDRO CC(C)(CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618986709 352928266 /nfs/dbraw/zinc/92/82/66/352928266.db2.gz QCBAHWDLGRZXCG-AWEZNQCLSA-N 1 0 292.379 2.925 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000619432200 353022498 /nfs/dbraw/zinc/02/24/98/353022498.db2.gz HNANCIQCHAPICC-PKXJPQMGSA-N 1 0 288.347 2.576 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000152562111 188028764 /nfs/dbraw/zinc/02/87/64/188028764.db2.gz DPIJFRFCXHANEF-YPMHNXCESA-N 1 0 294.351 2.823 20 5 CFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000271666586 191267890 /nfs/dbraw/zinc/26/78/90/191267890.db2.gz MDJBRNKIXQUZLK-ZDUSSCGKSA-N 1 0 274.324 2.532 20 5 CFBDRO CSC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153642630 188095254 /nfs/dbraw/zinc/09/52/54/188095254.db2.gz KNRAKGVHPRDJTM-SMDDNHRTSA-N 1 0 298.408 2.668 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000153764792 188101345 /nfs/dbraw/zinc/10/13/45/188101345.db2.gz JSFAFPQTTKFTDN-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](O)CC)cc1[N+](=O)[O-] ZINC000154277121 188133549 /nfs/dbraw/zinc/13/35/49/188133549.db2.gz FDSOBJZXAOWLMG-DGCLKSJQSA-N 1 0 296.367 2.805 20 5 CFBDRO COC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000292896931 198453333 /nfs/dbraw/zinc/45/33/33/198453333.db2.gz GFMWHAVCQJRTJH-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000271708868 191285209 /nfs/dbraw/zinc/28/52/09/191285209.db2.gz OBDLTBIMLQMCFN-CYBMUJFWSA-N 1 0 288.351 2.612 20 5 CFBDRO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728641 191295555 /nfs/dbraw/zinc/29/55/55/191295555.db2.gz MPMVNMHVBNOOTL-STQMWFEESA-N 1 0 277.368 2.730 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166795158 188639564 /nfs/dbraw/zinc/63/95/64/188639564.db2.gz ZEKFAIZQRUAPQI-QWHCGFSZSA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC000285753195 291062547 /nfs/dbraw/zinc/06/25/47/291062547.db2.gz YYARNASSQJQMDX-DZGCQCFKSA-N 1 0 289.379 2.653 20 5 CFBDRO CO[C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273028965 192024673 /nfs/dbraw/zinc/02/46/73/192024673.db2.gz BSMUVXDFDQXDNX-SECBINFHSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000273008970 192017128 /nfs/dbraw/zinc/01/71/28/192017128.db2.gz BRMBXJQPMCSTQI-QWRGUYRKSA-N 1 0 284.381 2.951 20 5 CFBDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294020930 198873287 /nfs/dbraw/zinc/87/32/87/198873287.db2.gz DWLXNQGJAYCQRJ-NSHDSACASA-N 1 0 295.383 2.890 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294352457 199008689 /nfs/dbraw/zinc/00/86/89/199008689.db2.gz PWYRJGQJEDDHAW-NEPJUHHUSA-N 1 0 294.399 2.556 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294833940 199204105 /nfs/dbraw/zinc/20/41/05/199204105.db2.gz RIINMPHLXULQHU-PWSUYJOCSA-N 1 0 261.325 2.936 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420276378 236597425 /nfs/dbraw/zinc/59/74/25/236597425.db2.gz HIPZSDVFOFUUIQ-ZJUUUORDSA-N 1 0 267.304 2.663 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000297330920 200150644 /nfs/dbraw/zinc/15/06/44/200150644.db2.gz NZCHSPDWPGUKBR-WBMJQRKESA-N 1 0 292.379 2.970 20 5 CFBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856910 189151185 /nfs/dbraw/zinc/15/11/85/189151185.db2.gz BQSOHTSLVNXKQO-CQSZACIVSA-N 1 0 264.325 2.501 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)C2CC2)n1 ZINC000179700736 189214874 /nfs/dbraw/zinc/21/48/74/189214874.db2.gz WMVDNBXSEZSVDV-OAHLLOKOSA-N 1 0 286.335 2.532 20 5 CFBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000301988760 540969396 /nfs/dbraw/zinc/96/93/96/540969396.db2.gz WJKYPJAQKUAMHU-XJKSGUPXSA-N 1 0 289.379 2.824 20 5 CFBDRO CC[NH+]1CCC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301429813 201005789 /nfs/dbraw/zinc/00/57/89/201005789.db2.gz FVQNRFHVELRAQT-UHFFFAOYSA-N 1 0 297.330 2.639 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000301425549 201004370 /nfs/dbraw/zinc/00/43/70/201004370.db2.gz DIAVZJKJMISJHL-CYBMUJFWSA-N 1 0 277.368 2.905 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000301570349 201072617 /nfs/dbraw/zinc/07/26/17/201072617.db2.gz OBEUWKGRYYHRAH-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC[C@@H](C)O ZINC000182810494 189335947 /nfs/dbraw/zinc/33/59/47/189335947.db2.gz LYZIVBWBHWZECW-VXGBXAGGSA-N 1 0 266.341 2.667 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301733650 201165652 /nfs/dbraw/zinc/16/56/52/201165652.db2.gz GCCJKEWIQMABAG-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301765634 201185107 /nfs/dbraw/zinc/18/51/07/201185107.db2.gz CXGQABZQBSIEPL-ZDUSSCGKSA-N 1 0 292.383 2.912 20 5 CFBDRO CC[C@@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301973697 201284313 /nfs/dbraw/zinc/28/43/13/201284313.db2.gz AEAYEHCKCPFLOT-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000302029014 201306785 /nfs/dbraw/zinc/30/67/85/201306785.db2.gz RJAUYUASRMJEHN-LLVKDONJSA-N 1 0 283.397 2.824 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426234684 239182243 /nfs/dbraw/zinc/18/22/43/239182243.db2.gz AFVMSEXEGVUBPO-KCPJHIHWSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1(C[NH+](C)C)CCCC1 ZINC000302165797 201376252 /nfs/dbraw/zinc/37/62/52/201376252.db2.gz RCHIVHITXUJFKD-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435390419 240309267 /nfs/dbraw/zinc/30/92/67/240309267.db2.gz BALVUAMUVKWGSG-ZDUSSCGKSA-N 1 0 295.358 2.698 20 5 CFBDRO Cc1nccnc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000275845468 193144322 /nfs/dbraw/zinc/14/43/22/193144322.db2.gz JZZMZUVPWKDUOK-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330923 241053064 /nfs/dbraw/zinc/05/30/64/241053064.db2.gz USPMPWQFYMKBPR-JRPNMDOOSA-N 1 0 296.342 2.715 20 5 CFBDRO Cc1cc(NC[C@H](C)[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000443442357 241063483 /nfs/dbraw/zinc/06/34/83/241063483.db2.gz HBHHTCGRXVLHGG-NSHDSACASA-N 1 0 288.351 2.813 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657512 241159829 /nfs/dbraw/zinc/15/98/29/241159829.db2.gz KVRYVMPJXYWDCC-VIFPVBQESA-N 1 0 262.313 2.701 20 5 CFBDRO CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447574410 241386870 /nfs/dbraw/zinc/38/68/70/241386870.db2.gz MZUROCHQNFTHJI-VXGBXAGGSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000219215446 299366706 /nfs/dbraw/zinc/36/67/06/299366706.db2.gz ARHOOAALNUHQEE-NJZAAPMLSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000449179142 241749918 /nfs/dbraw/zinc/74/99/18/241749918.db2.gz YYKBFRBNWCOLLU-ZYHUDNBSSA-N 1 0 266.366 2.621 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449224496 241775979 /nfs/dbraw/zinc/77/59/79/241775979.db2.gz LWHQGMANEVVSSO-SNVBAGLBSA-N 1 0 275.308 2.612 20 5 CFBDRO CC/C=C\C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449457039 241946536 /nfs/dbraw/zinc/94/65/36/241946536.db2.gz NBKKKNMXWACNTP-RXNFCKPNSA-N 1 0 291.351 2.868 20 5 CFBDRO CCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])COC1 ZINC000449604236 242061546 /nfs/dbraw/zinc/06/15/46/242061546.db2.gz WUIWKEUJLDGMBX-FNORWQNLSA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC1(C)C ZINC000449625492 242074266 /nfs/dbraw/zinc/07/42/66/242074266.db2.gz SMPHKIYFGLRUII-SMDDNHRTSA-N 1 0 278.352 2.540 20 5 CFBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000449632835 242080842 /nfs/dbraw/zinc/08/08/42/242080842.db2.gz NXNVSRQSNDTNLX-HUUCEWRRSA-N 1 0 290.363 2.984 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449687786 242108694 /nfs/dbraw/zinc/10/86/94/242108694.db2.gz QYALKEQIBXCNSQ-HNNXBMFYSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449708816 242115940 /nfs/dbraw/zinc/11/59/40/242115940.db2.gz HMDVSTSUDRKYBZ-BPLDGKMQSA-N 1 0 292.379 2.667 20 5 CFBDRO COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449741098 242128367 /nfs/dbraw/zinc/12/83/67/242128367.db2.gz SMTYRNURAQBTOS-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C1CCC1 ZINC000449740703 242128897 /nfs/dbraw/zinc/12/88/97/242128897.db2.gz QPVBMOYHLPTPII-IYCSXQJISA-N 1 0 290.363 2.749 20 5 CFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451486331 242856294 /nfs/dbraw/zinc/85/62/94/242856294.db2.gz DSLOJCODIAFMTG-KBPBESRZSA-N 1 0 294.351 2.507 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000452092838 243041693 /nfs/dbraw/zinc/04/16/93/243041693.db2.gz URJOMLAGCBIZSL-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000453578715 243605841 /nfs/dbraw/zinc/60/58/41/243605841.db2.gz JJDFUHKAVJVWBY-ZDUSSCGKSA-N 1 0 278.352 2.890 20 5 CFBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330643533 203070307 /nfs/dbraw/zinc/07/03/07/203070307.db2.gz GYUQXDAZNNQFTB-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000420361109 299402665 /nfs/dbraw/zinc/40/26/65/299402665.db2.gz HTDBPDQKKXERES-OXJKWZBOSA-N 1 0 277.368 2.632 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863676 203327547 /nfs/dbraw/zinc/32/75/47/203327547.db2.gz TXLOMKJWRBFWGQ-YPMHNXCESA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908292 203376457 /nfs/dbraw/zinc/37/64/57/203376457.db2.gz OJUPTKQNOHCPEA-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO CCOCCOCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276228309 193250265 /nfs/dbraw/zinc/25/02/65/193250265.db2.gz JZWFRRLPWFTNTC-CYBMUJFWSA-N 1 0 296.367 2.641 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000276430442 193326874 /nfs/dbraw/zinc/32/68/74/193326874.db2.gz POUAPMZCSFBTMP-IJLUTSLNSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(C1)CCOCC2 ZINC000459608389 245237794 /nfs/dbraw/zinc/23/77/94/245237794.db2.gz ABLQBITWZFKNNP-HYXAFXHYSA-N 1 0 288.347 2.720 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OCC)C1 ZINC000459644827 245257888 /nfs/dbraw/zinc/25/78/88/245257888.db2.gz KGYADWNYYJYUSL-XBXGTLAGSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)nc2c1 ZINC000459769147 245314015 /nfs/dbraw/zinc/31/40/15/245314015.db2.gz GLHSFGFSFHPGKP-ADEWGFFLSA-N 1 0 286.335 2.749 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000003538712 371807394 /nfs/dbraw/zinc/80/73/94/371807394.db2.gz PIKLWVNMWWQPAP-GFCCVEGCSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1cccc([N+](=O)[O-])c1 ZINC000020047884 372222694 /nfs/dbraw/zinc/22/26/94/372222694.db2.gz FBGQQIWDLQPWMF-CQSZACIVSA-N 1 0 291.395 2.949 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000020047879 372223580 /nfs/dbraw/zinc/22/35/80/372223580.db2.gz OCLRMWIPXCDSTN-CQSZACIVSA-N 1 0 291.395 2.949 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092281 372227902 /nfs/dbraw/zinc/22/79/02/372227902.db2.gz ARGMQULRHGPWNU-LBPRGKRZSA-N 1 0 266.341 2.980 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000020092529 372229222 /nfs/dbraw/zinc/22/92/22/372229222.db2.gz CDMYUIXXQCNEFX-DGCLKSJQSA-N 1 0 264.325 2.733 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000023991436 372268689 /nfs/dbraw/zinc/26/86/89/372268689.db2.gz PUMFEBRMURYHCN-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023991744 372269004 /nfs/dbraw/zinc/26/90/04/372269004.db2.gz WJTRQCNAYVHFJE-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO CCCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026161901 372314205 /nfs/dbraw/zinc/31/42/05/372314205.db2.gz STDFBDRALZLZAY-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO CCOCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035081384 372535305 /nfs/dbraw/zinc/53/53/05/372535305.db2.gz CXFRUXZSLWIBPC-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793919 372593260 /nfs/dbraw/zinc/59/32/60/372593260.db2.gz FAUAUPAOIKASHM-BXUZGUMPSA-N 1 0 293.367 2.502 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000037647794 372682360 /nfs/dbraw/zinc/68/23/60/372682360.db2.gz HMGFDOTZDNLASQ-SECBINFHSA-N 1 0 269.732 2.612 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000040775291 372789178 /nfs/dbraw/zinc/78/91/78/372789178.db2.gz VAFYFIZTQLVPAZ-AAEUAGOBSA-N 1 0 266.341 2.652 20 5 CFBDRO [NH3+]C1(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000041153342 372822061 /nfs/dbraw/zinc/82/20/61/372822061.db2.gz AXCDCVPYJLFRKG-UHFFFAOYSA-N 1 0 288.307 2.763 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000042814942 372959029 /nfs/dbraw/zinc/95/90/29/372959029.db2.gz FBGTTWVFOYBXMY-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO CC(C)=CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744237 373115923 /nfs/dbraw/zinc/11/59/23/373115923.db2.gz GERGKPWOGXOBDQ-UHFFFAOYSA-N 1 0 275.352 2.683 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)C1CCCCC1 ZINC000049855202 373324029 /nfs/dbraw/zinc/32/40/29/373324029.db2.gz BKONJLUHZSNDQY-UHFFFAOYSA-N 1 0 278.352 2.722 20 5 CFBDRO CCN(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000054110070 373497317 /nfs/dbraw/zinc/49/73/17/373497317.db2.gz NUJJYOCDXJEOHS-GFCCVEGCSA-N 1 0 265.357 2.506 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000451724211 383691286 /nfs/dbraw/zinc/69/12/86/383691286.db2.gz DVPJFWHRTAMUOY-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000062077290 373746619 /nfs/dbraw/zinc/74/66/19/373746619.db2.gz SILGBBYGQDTWIF-ZIAGYGMSSA-N 1 0 291.395 2.977 20 5 CFBDRO CN(CC1CC[NH+](C)CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000063125479 373787010 /nfs/dbraw/zinc/78/70/10/373787010.db2.gz YFKHUICQNZFJKM-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063196249 373795086 /nfs/dbraw/zinc/79/50/86/373795086.db2.gz PCSSDANUBRBQNY-ZWNOBZJWSA-N 1 0 297.786 2.950 20 5 CFBDRO CC(C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000065961011 373906282 /nfs/dbraw/zinc/90/62/82/373906282.db2.gz NSPYPOWYBWUNOA-UHFFFAOYSA-N 1 0 252.314 2.561 20 5 CFBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CC1 ZINC000070014438 374117093 /nfs/dbraw/zinc/11/70/93/374117093.db2.gz STXURUURNFWDLV-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000070360831 374170139 /nfs/dbraw/zinc/17/01/39/374170139.db2.gz WWRHIJZSHNDSHI-LBPRGKRZSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000070357872 374170353 /nfs/dbraw/zinc/17/03/53/374170353.db2.gz YLGRIGNTTOJTNJ-MDZLAQPJSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C ZINC000072874414 374297439 /nfs/dbraw/zinc/29/74/39/374297439.db2.gz VRKFCGXGISXWGI-GFCCVEGCSA-N 1 0 291.351 2.716 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076002200 374518631 /nfs/dbraw/zinc/51/86/31/374518631.db2.gz WHPKWUNISISEMH-OAHLLOKOSA-N 1 0 291.395 2.759 20 5 CFBDRO CCOc1cc(C[NH2+]C(C)(C)COC)ccc1[N+](=O)[O-] ZINC000492462283 246299014 /nfs/dbraw/zinc/29/90/14/246299014.db2.gz MOIJYKDAJCWXRG-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079712692 374625608 /nfs/dbraw/zinc/62/56/08/374625608.db2.gz UXJPVOBIUZDVSQ-PWSUYJOCSA-N 1 0 252.314 2.670 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000081545177 374704040 /nfs/dbraw/zinc/70/40/40/374704040.db2.gz DJYZSVLZDUZHTJ-LBPRGKRZSA-N 1 0 294.351 2.897 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081707763 374713412 /nfs/dbraw/zinc/71/34/12/374713412.db2.gz BPZWLEIGVCAXHL-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000085979712 374803567 /nfs/dbraw/zinc/80/35/67/374803567.db2.gz JIXNHJDEADKHIQ-WHOFXGATSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571536299 383704500 /nfs/dbraw/zinc/70/45/00/383704500.db2.gz CMAOIDZVIBURGA-WFASDCNBSA-N 1 0 291.395 2.902 20 5 CFBDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000090537788 375019904 /nfs/dbraw/zinc/01/99/04/375019904.db2.gz WKAHCHHTYTVZEZ-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000090794519 375027985 /nfs/dbraw/zinc/02/79/85/375027985.db2.gz KCKYLUUMBNTAAQ-QWHCGFSZSA-N 1 0 291.351 2.642 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795057 375029200 /nfs/dbraw/zinc/02/92/00/375029200.db2.gz HLNNMJNZIGMOHN-ONGXEEELSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000090795149 375030485 /nfs/dbraw/zinc/03/04/85/375030485.db2.gz KHPQPDSYULFMPD-VHSXEESVSA-N 1 0 267.304 2.629 20 5 CFBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])cc1C ZINC000092623789 375130429 /nfs/dbraw/zinc/13/04/29/375130429.db2.gz AQHPDIQXZRHQMR-UHFFFAOYSA-N 1 0 280.372 2.832 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000092982165 375173454 /nfs/dbraw/zinc/17/34/54/375173454.db2.gz MRLCDGMQJIWTAJ-UHFFFAOYSA-N 1 0 286.759 2.841 20 5 CFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093873970 375328142 /nfs/dbraw/zinc/32/81/42/375328142.db2.gz YMIHMFSYRWYJMQ-UHFFFAOYSA-N 1 0 285.775 2.665 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000094460478 375362971 /nfs/dbraw/zinc/36/29/71/375362971.db2.gz ANSHNYHUJJECOY-GFCCVEGCSA-N 1 0 295.770 2.528 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774764 375377840 /nfs/dbraw/zinc/37/78/40/375377840.db2.gz KKKMOEFTBBKVGL-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000097635710 375574795 /nfs/dbraw/zinc/57/47/95/375574795.db2.gz PQZPKYFDXNRNHM-NEPJUHHUSA-N 1 0 263.341 2.798 20 5 CFBDRO Cc1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000514176836 247227674 /nfs/dbraw/zinc/22/76/74/247227674.db2.gz WOOOGNRSSWVIFC-SMDDNHRTSA-N 1 0 275.352 2.798 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098213 375767118 /nfs/dbraw/zinc/76/71/18/375767118.db2.gz ZMCVCYUBEFTMMX-UONOGXRCSA-N 1 0 291.395 2.929 20 5 CFBDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000111636692 375860333 /nfs/dbraw/zinc/86/03/33/375860333.db2.gz MMLDYTDPEVRJEI-VIFPVBQESA-N 1 0 292.257 2.824 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112988418 375983451 /nfs/dbraw/zinc/98/34/51/375983451.db2.gz OTFSREMLILVPDI-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000118414581 376294498 /nfs/dbraw/zinc/29/44/98/376294498.db2.gz UZVLXEGGDMEVBV-MNOVXSKESA-N 1 0 266.366 2.921 20 5 CFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000118415773 376294810 /nfs/dbraw/zinc/29/48/10/376294810.db2.gz AMDOJGITLYVHAJ-MNOVXSKESA-N 1 0 266.366 2.921 20 5 CFBDRO C[C@@H](c1ccco1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000119226914 376376763 /nfs/dbraw/zinc/37/67/63/376376763.db2.gz VQHIVPNFLBNRCW-NSHDSACASA-N 1 0 290.323 2.610 20 5 CFBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119961704 376516010 /nfs/dbraw/zinc/51/60/10/376516010.db2.gz DHQILTJENQVSNL-GRYCIOLGSA-N 1 0 293.367 2.549 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119857603 376490351 /nfs/dbraw/zinc/49/03/51/376490351.db2.gz LWJFJDXBOJCNPS-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOC1 ZINC000120116319 376550123 /nfs/dbraw/zinc/55/01/23/376550123.db2.gz LOTQEDWRXNPCMW-LBPRGKRZSA-N 1 0 270.716 2.517 20 5 CFBDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000120232076 376576152 /nfs/dbraw/zinc/57/61/52/376576152.db2.gz NCHNYHCXLKAQCF-AWEZNQCLSA-N 1 0 278.352 2.842 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000122546390 376932555 /nfs/dbraw/zinc/93/25/55/376932555.db2.gz IMIWTSMCFBTQNJ-VIFPVBQESA-N 1 0 270.716 2.627 20 5 CFBDRO CCn1nccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125219157 377128425 /nfs/dbraw/zinc/12/84/25/377128425.db2.gz BGEMTDNLFGCCLI-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO C[NH+](C)CCN(Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000125615188 377176804 /nfs/dbraw/zinc/17/68/04/377176804.db2.gz OMTOPCQGRHMNDV-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278150290 193845207 /nfs/dbraw/zinc/84/52/07/193845207.db2.gz ABJNWSWAKGSFRH-IAQYHMDHSA-N 1 0 278.352 2.987 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000128001730 377311797 /nfs/dbraw/zinc/31/17/97/377311797.db2.gz JEBOHKIHTLCRFF-GBXSZLQWSA-N 1 0 276.336 2.719 20 5 CFBDRO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128474017 377339505 /nfs/dbraw/zinc/33/95/05/377339505.db2.gz KJTLKXGJKUQJKC-JSGCOSHPSA-N 1 0 279.384 2.961 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000130313897 377536064 /nfs/dbraw/zinc/53/60/64/377536064.db2.gz WGOITNOONXLING-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000286975678 196749199 /nfs/dbraw/zinc/74/91/99/196749199.db2.gz POOGDRDMPLSFNI-YPMHNXCESA-N 1 0 295.408 2.715 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CC1)C1CC1 ZINC000131118460 377661556 /nfs/dbraw/zinc/66/15/56/377661556.db2.gz ZSBZFKFSQPEXNF-CQSZACIVSA-N 1 0 260.337 2.916 20 5 CFBDRO COc1ccc(C[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000133375722 377924655 /nfs/dbraw/zinc/92/46/55/377924655.db2.gz KRRCMBBGCMJFTR-UHFFFAOYSA-N 1 0 282.365 2.589 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000133503832 377935223 /nfs/dbraw/zinc/93/52/23/377935223.db2.gz QVBCCFYTFRGXFT-BDAKNGLRSA-N 1 0 296.758 2.680 20 5 CFBDRO CC[NH+](CC)CCCNc1cccc(OC)c1[N+](=O)[O-] ZINC000134902190 378060575 /nfs/dbraw/zinc/06/05/75/378060575.db2.gz BEEGZAOHDRTWIH-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000134915576 378063728 /nfs/dbraw/zinc/06/37/28/378063728.db2.gz ABWYXZGTAPCHTB-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135467753 378136655 /nfs/dbraw/zinc/13/66/55/378136655.db2.gz SYQHGJNFFQRCKZ-NXEZZACHSA-N 1 0 254.355 2.997 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000135164962 378094543 /nfs/dbraw/zinc/09/45/43/378094543.db2.gz PJENTBRQYRIGIM-JQWIXIFHSA-N 1 0 264.325 2.882 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000135165003 378094591 /nfs/dbraw/zinc/09/45/91/378094591.db2.gz PJENTBRQYRIGIM-CMPLNLGQSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1c(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000136175992 378185025 /nfs/dbraw/zinc/18/50/25/378185025.db2.gz JLPKSIVBWYKZCH-SMDDNHRTSA-N 1 0 278.352 2.639 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000136384311 378197092 /nfs/dbraw/zinc/19/70/92/378197092.db2.gz HRPOIQZAPKFCNC-GFCCVEGCSA-N 1 0 266.366 2.888 20 5 CFBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136807386 378211328 /nfs/dbraw/zinc/21/13/28/378211328.db2.gz GJYIFRWMEOZZMT-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136998251 378215018 /nfs/dbraw/zinc/21/50/18/378215018.db2.gz SPHAOAPNTDIFON-GYSYKLTISA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000149405790 378263388 /nfs/dbraw/zinc/26/33/88/378263388.db2.gz LGUAMCXTKJXXJI-QPUJVOFHSA-N 1 0 270.716 2.515 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152808381 378449939 /nfs/dbraw/zinc/44/99/39/378449939.db2.gz OMHDPEUYXQIILH-ZDUSSCGKSA-N 1 0 279.384 2.896 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000153971910 378527866 /nfs/dbraw/zinc/52/78/66/378527866.db2.gz FNNQXUORARWWQK-CQSZACIVSA-N 1 0 296.754 2.861 20 5 CFBDRO CC[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000331089227 378631057 /nfs/dbraw/zinc/63/10/57/378631057.db2.gz UNRTZRYDVKGHOW-SWLSCSKDSA-N 1 0 291.395 2.723 20 5 CFBDRO CS[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331019263 378616499 /nfs/dbraw/zinc/61/64/99/378616499.db2.gz QUODGACEDBLLKF-IJLUTSLNSA-N 1 0 298.412 2.616 20 5 CFBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332710981 378792746 /nfs/dbraw/zinc/79/27/46/378792746.db2.gz OTABXEDQFZBACR-GFCCVEGCSA-N 1 0 280.372 2.729 20 5 CFBDRO CC[C@H](CSC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000162180854 378899557 /nfs/dbraw/zinc/89/95/57/378899557.db2.gz RFQKWINWWHIKIP-SECBINFHSA-N 1 0 260.384 2.888 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163572126 378981079 /nfs/dbraw/zinc/98/10/79/378981079.db2.gz COJHFHUZNFQGRB-LSDHHAIUSA-N 1 0 292.379 2.667 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180584 379512325 /nfs/dbraw/zinc/51/23/25/379512325.db2.gz UJNOFJLDKAKHTA-NSHDSACASA-N 1 0 297.786 2.632 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@H+](CC2CCCCC2)C2CC2)c1 ZINC000174830283 379947958 /nfs/dbraw/zinc/94/79/58/379947958.db2.gz ABTYKDWJIFYJHM-UHFFFAOYSA-N 1 0 292.383 2.836 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1Cl ZINC000176194171 380191604 /nfs/dbraw/zinc/19/16/04/380191604.db2.gz CRYRZGDGSLISTH-JTQLQIEISA-N 1 0 294.742 2.796 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CCCCC3)C2)n1 ZINC000176240329 380199885 /nfs/dbraw/zinc/19/98/85/380199885.db2.gz FKKBZMUCKOOINK-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000176244998 380201492 /nfs/dbraw/zinc/20/14/92/380201492.db2.gz OABKWZYYJMPNJA-HNNXBMFYSA-N 1 0 290.367 2.614 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+](C)C)n1 ZINC000178162996 380416898 /nfs/dbraw/zinc/41/68/98/380416898.db2.gz RZBRTXXUSPRNOF-LBPRGKRZSA-N 1 0 280.372 2.686 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000180192498 380630182 /nfs/dbraw/zinc/63/01/82/380630182.db2.gz YKYJVZQPKZSNDD-HNNXBMFYSA-N 1 0 278.352 2.675 20 5 CFBDRO COCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179972112 380605622 /nfs/dbraw/zinc/60/56/22/380605622.db2.gz TXRYINJKDCWABV-INIZCTEOSA-N 1 0 286.331 2.920 20 5 CFBDRO CCOC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336811236 380671637 /nfs/dbraw/zinc/67/16/37/380671637.db2.gz LUZNXSKEXZEZQD-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCC(=O)CC1 ZINC000295389122 380824423 /nfs/dbraw/zinc/82/44/23/380824423.db2.gz UXHFIWUGYFNTJQ-UHFFFAOYSA-N 1 0 290.363 2.828 20 5 CFBDRO Cc1c(C[NH2+][C@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000181454781 380796059 /nfs/dbraw/zinc/79/60/59/380796059.db2.gz NJZUQDLWOLDNLX-CQSZACIVSA-N 1 0 280.368 2.790 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000181597486 380838565 /nfs/dbraw/zinc/83/85/65/380838565.db2.gz TZGKTYQHOISFNT-ABAIWWIYSA-N 1 0 278.352 2.979 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353769929 380840436 /nfs/dbraw/zinc/84/04/36/380840436.db2.gz SRQRTQXOCBYQNK-HIFRSBDPSA-N 1 0 291.395 2.899 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347021770 380884748 /nfs/dbraw/zinc/88/47/48/380884748.db2.gz NNTBZCMELQNKJO-UHIISALHSA-N 1 0 292.335 2.539 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000368101363 380924200 /nfs/dbraw/zinc/92/42/00/380924200.db2.gz SVOKMFPFYDIAEJ-YUELXQCFSA-N 1 0 276.336 2.503 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000368269229 380975021 /nfs/dbraw/zinc/97/50/21/380975021.db2.gz GXRIRGXOXQHAHV-AWEZNQCLSA-N 1 0 292.383 2.884 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295619986 380979033 /nfs/dbraw/zinc/97/90/33/380979033.db2.gz ZBMZDHZMZLJRAU-CQSZACIVSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341332990 380941788 /nfs/dbraw/zinc/94/17/88/380941788.db2.gz YDXPNDSWOAQCIV-HUBLWGQQSA-N 1 0 292.379 2.665 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000354059079 381052883 /nfs/dbraw/zinc/05/28/83/381052883.db2.gz OHSQICVNSBDSIH-SOIVGHGOSA-N 1 0 292.379 2.947 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182292521 381053176 /nfs/dbraw/zinc/05/31/76/381053176.db2.gz YMVOMCBOAFIDGR-GJZGRUSLSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1 ZINC000341514163 381058981 /nfs/dbraw/zinc/05/89/81/381058981.db2.gz QYJJTXFGMDBGOF-HNNXBMFYSA-N 1 0 292.379 2.873 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411935433 381062500 /nfs/dbraw/zinc/06/25/00/381062500.db2.gz HZOJHTRLZLEHTM-RDJZCZTQSA-N 1 0 298.342 2.903 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000354077895 381063198 /nfs/dbraw/zinc/06/31/98/381063198.db2.gz JYMOGVAGYCUFKJ-RYUDHWBXSA-N 1 0 282.365 2.515 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411935434 381064007 /nfs/dbraw/zinc/06/40/07/381064007.db2.gz HZOJHTRLZLEHTM-WBVHZDCISA-N 1 0 298.342 2.903 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182329818 381065019 /nfs/dbraw/zinc/06/50/19/381065019.db2.gz DWKXYSSKZSWQCB-OCCSQVGLSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000368489612 381043007 /nfs/dbraw/zinc/04/30/07/381043007.db2.gz CWHQKYGDAQUVQG-UHFFFAOYSA-N 1 0 276.336 2.644 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000347343102 381083360 /nfs/dbraw/zinc/08/33/60/381083360.db2.gz QIGLMDCTXZQWQX-JEMSNHSXSA-N 1 0 290.363 2.702 20 5 CFBDRO CCC1(CC)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295810789 381090899 /nfs/dbraw/zinc/09/08/99/381090899.db2.gz BODTUSPQGGTYTR-CQSZACIVSA-N 1 0 278.352 2.750 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C)(O)CC1 ZINC000347356008 381094977 /nfs/dbraw/zinc/09/49/77/381094977.db2.gz KHTRULCXADAITA-RAXLEYEMSA-N 1 0 290.363 2.845 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000412029303 381105479 /nfs/dbraw/zinc/10/54/79/381105479.db2.gz YDIPXNGXOLNCEP-JTQLQIEISA-N 1 0 282.315 2.781 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000412029305 381105984 /nfs/dbraw/zinc/10/59/84/381105984.db2.gz YDIPXNGXOLNCEP-SNVBAGLBSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183065861 381208827 /nfs/dbraw/zinc/20/88/27/381208827.db2.gz ZIHGJAWVTVSHIM-NWDGAFQWSA-N 1 0 293.367 2.948 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C2=CC[N@H+](C)CC2)n1 ZINC000359083392 381256006 /nfs/dbraw/zinc/25/60/06/381256006.db2.gz OFZJZNBMMHUPDA-GFCCVEGCSA-N 1 0 290.367 2.669 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342297103 381257314 /nfs/dbraw/zinc/25/73/14/381257314.db2.gz KIUOUYZWXFQCAZ-NWDGAFQWSA-N 1 0 252.289 2.883 20 5 CFBDRO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356302 381260403 /nfs/dbraw/zinc/26/04/03/381260403.db2.gz WXRDTGRDIWZIQZ-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000354438309 381264403 /nfs/dbraw/zinc/26/44/03/381264403.db2.gz DVSCLDHTCIDFCZ-LBPRGKRZSA-N 1 0 280.368 2.921 20 5 CFBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000347634052 381268223 /nfs/dbraw/zinc/26/82/23/381268223.db2.gz IYFSAWVFVFCVLT-SECBINFHSA-N 1 0 280.353 2.631 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369381965 381249736 /nfs/dbraw/zinc/24/97/36/381249736.db2.gz TZZABYXSABNTAR-ILMGOGQSSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000342289466 381249835 /nfs/dbraw/zinc/24/98/35/381249835.db2.gz CFGCLFJIFMRILA-CABCVRRESA-N 1 0 278.352 2.686 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCCC[C@H]1O ZINC000342289471 381250664 /nfs/dbraw/zinc/25/06/64/381250664.db2.gz CFGCLFJIFMRILA-LSDHHAIUSA-N 1 0 278.352 2.686 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296177679 381288115 /nfs/dbraw/zinc/28/81/15/381288115.db2.gz UHZOZTTUFZOXMJ-CQSZACIVSA-N 1 0 291.395 2.553 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCC[C@H]1O ZINC000359122867 381278782 /nfs/dbraw/zinc/27/87/82/381278782.db2.gz HRTMRFGIXACTLF-BBUPELFUSA-N 1 0 276.336 2.501 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCCC3)CC2)n1 ZINC000369674827 381310927 /nfs/dbraw/zinc/31/09/27/381310927.db2.gz AAZHXJORIPNYLO-UHFFFAOYSA-N 1 0 278.356 2.618 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290214446 381344720 /nfs/dbraw/zinc/34/47/20/381344720.db2.gz QFUCCOAJUFXBQW-NHYWBVRUSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC(=O)c1ccc(NCC[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000359369474 381378151 /nfs/dbraw/zinc/37/81/51/381378151.db2.gz KEDWGWJEMCZPTB-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO COC[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354695330 381406399 /nfs/dbraw/zinc/40/63/99/381406399.db2.gz AQHJQDPMDAYMAH-NSHDSACASA-N 1 0 290.319 2.979 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000359376784 381382779 /nfs/dbraw/zinc/38/27/79/381382779.db2.gz LBBXQFRKHXPJMC-UHFFFAOYSA-N 1 0 280.368 2.969 20 5 CFBDRO CCn1cc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000296531157 381436040 /nfs/dbraw/zinc/43/60/40/381436040.db2.gz DCMSTRHYJIMRGC-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000290591521 381491670 /nfs/dbraw/zinc/49/16/70/381491670.db2.gz CZLWKNPIZVPRIB-SNVBAGLBSA-N 1 0 291.355 2.612 20 5 CFBDRO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296726714 381521912 /nfs/dbraw/zinc/52/19/12/381521912.db2.gz NNUFMADDSOTTMH-NSHDSACASA-N 1 0 280.324 2.587 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000290814280 381562026 /nfs/dbraw/zinc/56/20/26/381562026.db2.gz RNLGGDCXUBVYQS-WDEREUQCSA-N 1 0 291.351 2.641 20 5 CFBDRO C[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290928104 381601724 /nfs/dbraw/zinc/60/17/24/381601724.db2.gz ROPGWXXJFAYXLA-ZETCQYMHSA-N 1 0 293.150 2.762 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000355114460 381620865 /nfs/dbraw/zinc/62/08/65/381620865.db2.gz UTZHBQCDDLOCRR-YAIPVJBQSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(=O)c1ccc(N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000185441130 381631990 /nfs/dbraw/zinc/63/19/90/381631990.db2.gz KPSURHSJGMENDS-UHFFFAOYSA-N 1 0 293.367 2.574 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCC3CC3)CC2)c1 ZINC000359847826 381638446 /nfs/dbraw/zinc/63/84/46/381638446.db2.gz PYSVYYVKRMHUDN-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO CC(C)c1ccc(CNC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414947480 381638695 /nfs/dbraw/zinc/63/86/95/381638695.db2.gz WBPHSQXNTMEEIQ-UHFFFAOYSA-N 1 0 291.395 2.950 20 5 CFBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291069278 381655864 /nfs/dbraw/zinc/65/58/64/381655864.db2.gz LHUZMKLNUFPUDO-GFCCVEGCSA-N 1 0 266.341 2.760 20 5 CFBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000414962386 381658302 /nfs/dbraw/zinc/65/83/02/381658302.db2.gz WAJWIBNGVAHBNJ-KRWDZBQOSA-N 1 0 297.358 2.571 20 5 CFBDRO O=[N+]([O-])c1cccc(CNC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000414962390 381658442 /nfs/dbraw/zinc/65/84/42/381658442.db2.gz WAJWIBNGVAHBNJ-QGZVFWFLSA-N 1 0 297.358 2.571 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355203324 381674080 /nfs/dbraw/zinc/67/40/80/381674080.db2.gz DUDNOLFIRJESDV-UKRRQHHQSA-N 1 0 290.363 2.843 20 5 CFBDRO COC(=O)CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000348893781 381758238 /nfs/dbraw/zinc/75/82/38/381758238.db2.gz MMBDDCGDQXNMHE-UHFFFAOYSA-N 1 0 298.314 2.557 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000360034783 381741779 /nfs/dbraw/zinc/74/17/79/381741779.db2.gz FSLAMERPSSDFAP-UHTWSYAYSA-N 1 0 296.392 2.950 20 5 CFBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000415056065 381742284 /nfs/dbraw/zinc/74/22/84/381742284.db2.gz PJMBUBZJZFWQKB-TZDXQJPWSA-N 1 0 289.379 2.525 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415065714 381750824 /nfs/dbraw/zinc/75/08/24/381750824.db2.gz HLZALMYVJPSANG-AWEZNQCLSA-N 1 0 291.395 2.950 20 5 CFBDRO COc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361409086 381828297 /nfs/dbraw/zinc/82/82/97/381828297.db2.gz SQKHPAJVBURHJW-CYBMUJFWSA-N 1 0 294.351 2.603 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292781258 381832174 /nfs/dbraw/zinc/83/21/74/381832174.db2.gz LLDACNNNPQVAPZ-OAHLLOKOSA-N 1 0 292.379 2.872 20 5 CFBDRO CCC[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299340083 381901627 /nfs/dbraw/zinc/90/16/27/381901627.db2.gz DULMYMLYWDLHFR-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO Cc1c(C[NH2+][C@H](C2CC2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000292900213 381893015 /nfs/dbraw/zinc/89/30/15/381893015.db2.gz AKIMYVINZXGAHB-OAHLLOKOSA-N 1 0 292.379 2.790 20 5 CFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000293044754 381964560 /nfs/dbraw/zinc/96/45/60/381964560.db2.gz MKPCBGBPHNLPAZ-MRXNPFEDSA-N 1 0 292.379 2.825 20 5 CFBDRO CC(C)[NH+]1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299516123 381969296 /nfs/dbraw/zinc/96/92/96/381969296.db2.gz CXMOBAYGXAYIIV-UHFFFAOYSA-N 1 0 291.395 2.899 20 5 CFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293017535 381951865 /nfs/dbraw/zinc/95/18/65/381951865.db2.gz OOUIXKKPCGOZRH-HZMBPMFUSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000349976604 382001928 /nfs/dbraw/zinc/00/19/28/382001928.db2.gz PVXRRYNBJNDEGD-ZIAGYGMSSA-N 1 0 291.395 2.818 20 5 CFBDRO Cc1c(CN(C)CC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000186944388 382051058 /nfs/dbraw/zinc/05/10/58/382051058.db2.gz IIYWJRKVASPVSR-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1c([C@H](C)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282478 382062966 /nfs/dbraw/zinc/06/29/66/382062966.db2.gz CWDCFQCRMYEDRN-YPMHNXCESA-N 1 0 279.384 2.752 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293225223 382036142 /nfs/dbraw/zinc/03/61/42/382036142.db2.gz YKEMUESVDLWTOX-AWEZNQCLSA-N 1 0 289.379 2.825 20 5 CFBDRO C[C@@H](CCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315568 382038969 /nfs/dbraw/zinc/03/89/69/382038969.db2.gz SHYHDNCEPPNBHN-XHDPSFHLSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000351503733 382040221 /nfs/dbraw/zinc/04/02/21/382040221.db2.gz SMFKBOVRGMHBIC-GFCCVEGCSA-N 1 0 278.352 2.720 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000351977158 382102292 /nfs/dbraw/zinc/10/22/92/382102292.db2.gz FIHPMEMXTJWPGD-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C ZINC000301241261 382119289 /nfs/dbraw/zinc/11/92/89/382119289.db2.gz GDZIAANQLYRRKD-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)CC1 ZINC000293309751 382072244 /nfs/dbraw/zinc/07/22/44/382072244.db2.gz WZRWVJGAZHICLF-VXGBXAGGSA-N 1 0 264.325 2.503 20 5 CFBDRO CC(C)C[C@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000301070384 382072261 /nfs/dbraw/zinc/07/22/61/382072261.db2.gz KWVNCCJXRBAURX-GFCCVEGCSA-N 1 0 265.357 2.983 20 5 CFBDRO CC[N@H+](CCNc1cc(OC)c([N+](=O)[O-])cc1F)C(C)C ZINC000357238787 382073066 /nfs/dbraw/zinc/07/30/66/382073066.db2.gz XZMFYHKOUAKHEI-UHFFFAOYSA-N 1 0 299.346 2.885 20 5 CFBDRO CCC[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000301079911 382076009 /nfs/dbraw/zinc/07/60/09/382076009.db2.gz DDZCCGIQDXVEQU-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351976348 382101237 /nfs/dbraw/zinc/10/12/37/382101237.db2.gz AETXPJIBWXNYPB-LLVKDONJSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301282989 382135234 /nfs/dbraw/zinc/13/52/34/382135234.db2.gz PHVNMEJYSDQTFT-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301292717 382140656 /nfs/dbraw/zinc/14/06/56/382140656.db2.gz VQWYIQWABVNLNY-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000301328729 382148349 /nfs/dbraw/zinc/14/83/49/382148349.db2.gz CTZKZOGDHSVDKK-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccccc1 ZINC000362647133 382186279 /nfs/dbraw/zinc/18/62/79/382186279.db2.gz CGSPNIGEFBLRKO-GDBMZVCRSA-N 1 0 298.346 2.847 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000187674060 382242748 /nfs/dbraw/zinc/24/27/48/382242748.db2.gz SACGKGWKCROSMR-CQDKDKBSSA-N 1 0 292.379 2.665 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722741 382251285 /nfs/dbraw/zinc/25/12/85/382251285.db2.gz PRDTUXPHVMDSLP-DGCLKSJQSA-N 1 0 279.384 2.752 20 5 CFBDRO Cc1cccc(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000302494412 382257741 /nfs/dbraw/zinc/25/77/41/382257741.db2.gz LKVAVTKCLMYJNL-CYBMUJFWSA-N 1 0 263.341 2.655 20 5 CFBDRO Cc1cc(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000302491837 382258467 /nfs/dbraw/zinc/25/84/67/382258467.db2.gz KHXYMMHITDCOQW-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000364328646 382306944 /nfs/dbraw/zinc/30/69/44/382306944.db2.gz OJGOLGIXCMXMAY-UONOGXRCSA-N 1 0 290.367 2.785 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000187964394 382312028 /nfs/dbraw/zinc/31/20/28/382312028.db2.gz UAZPAWRYQWHCCR-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000357793272 382325003 /nfs/dbraw/zinc/32/50/03/382325003.db2.gz BUKIDAKKQYZNRO-LLVKDONJSA-N 1 0 297.403 2.652 20 5 CFBDRO C[C@H]([NH2+]CC1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293915841 382334962 /nfs/dbraw/zinc/33/49/62/382334962.db2.gz XBFGHBLDXQLCHF-JTQLQIEISA-N 1 0 295.408 2.971 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000420293086 382346054 /nfs/dbraw/zinc/34/60/54/382346054.db2.gz XKOGMPWOLZSOAU-UWVGGRQHSA-N 1 0 267.304 2.663 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420285940 382342248 /nfs/dbraw/zinc/34/22/48/382342248.db2.gz PUHDQRUIGBUCBF-VXGBXAGGSA-N 1 0 278.356 2.536 20 5 CFBDRO [NH3+]CCCN(Cc1csc([N+](=O)[O-])c1)CC1CCCC1 ZINC000352526079 382381253 /nfs/dbraw/zinc/38/12/53/382381253.db2.gz JZDHLPVHFZZAEQ-UHFFFAOYSA-N 1 0 297.424 2.997 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188114708 382348146 /nfs/dbraw/zinc/34/81/46/382348146.db2.gz ZUNGKXGGRCORDD-UMVBOHGHSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCCO ZINC000168273590 322389113 /nfs/dbraw/zinc/38/91/13/322389113.db2.gz ZLZOTIPRHWBONV-RYUDHWBXSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000294164035 382440901 /nfs/dbraw/zinc/44/09/01/382440901.db2.gz IQLLINHXIJJOQY-MWLCHTKSSA-N 1 0 272.370 2.807 20 5 CFBDRO Cc1oncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570689 382399687 /nfs/dbraw/zinc/39/96/87/382399687.db2.gz KXBPZRZCDUFFJW-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674580 382466595 /nfs/dbraw/zinc/46/65/95/382466595.db2.gz IODOZORSXFHQDS-OCCSQVGLSA-N 1 0 291.395 2.887 20 5 CFBDRO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352754877 382468754 /nfs/dbraw/zinc/46/87/54/382468754.db2.gz KQTXQGMOCRZCRX-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420935637 382501714 /nfs/dbraw/zinc/50/17/14/382501714.db2.gz HXDYJZLWTAGEON-KWCYVHTRSA-N 1 0 292.379 2.915 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000346799174 382517150 /nfs/dbraw/zinc/51/71/50/382517150.db2.gz YFDHVSKTDAHSQM-UHFFFAOYSA-N 1 0 275.308 2.532 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000294962839 382554237 /nfs/dbraw/zinc/55/42/37/382554237.db2.gz JKKGZQVIOGKWJQ-GXFFZTMASA-N 1 0 266.341 2.795 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000358308558 382560725 /nfs/dbraw/zinc/56/07/25/382560725.db2.gz PCGIYTMXCSUDRQ-JTQLQIEISA-N 1 0 299.396 2.507 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000358368676 382591712 /nfs/dbraw/zinc/59/17/12/382591712.db2.gz OVALAPFBMFTKFB-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000353648889 382593862 /nfs/dbraw/zinc/59/38/62/382593862.db2.gz MJNXGSWSHUKSBP-QWHCGFSZSA-N 1 0 296.367 2.605 20 5 CFBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388200484 382603478 /nfs/dbraw/zinc/60/34/78/382603478.db2.gz AIHPPXVZSIRHIU-IAQYHMDHSA-N 1 0 278.352 2.806 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000389298195 382614531 /nfs/dbraw/zinc/61/45/31/382614531.db2.gz ZBWHBFOHWXQWMQ-NSHDSACASA-N 1 0 281.331 2.937 20 5 CFBDRO CC(C)(O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000189942609 382646363 /nfs/dbraw/zinc/64/63/63/382646363.db2.gz MJQRPKFYDIDJLN-FNORWQNLSA-N 1 0 290.363 2.843 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1nccc(C)c1[N+](=O)[O-] ZINC000190974917 382687115 /nfs/dbraw/zinc/68/71/15/382687115.db2.gz QTXKMFNOMCPBNY-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO C[C@H]1CC[C@@H](CN(C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312272 382661563 /nfs/dbraw/zinc/66/15/63/382661563.db2.gz KQEBMTMTFIBJKL-AAEUAGOBSA-N 1 0 264.325 2.594 20 5 CFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)C1CCCCC1 ZINC000190316086 382661914 /nfs/dbraw/zinc/66/19/14/382661914.db2.gz NUYHQRASKPAQNH-LLVKDONJSA-N 1 0 298.412 2.974 20 5 CFBDRO C[C@@H]1CSCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000190436577 382668119 /nfs/dbraw/zinc/66/81/19/382668119.db2.gz YMUSZWWFUFTNTA-LBPRGKRZSA-N 1 0 296.392 2.659 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000189713371 382636920 /nfs/dbraw/zinc/63/69/20/382636920.db2.gz AGWJCPBQXABSSJ-LBPRGKRZSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192945026 382713906 /nfs/dbraw/zinc/71/39/06/382713906.db2.gz PNWUREMAQKQXGP-BLLLJJGKSA-N 1 0 292.379 2.970 20 5 CFBDRO COc1ccc(C[NH2+]CC2(SC)CC2)cc1[N+](=O)[O-] ZINC000193656504 382722064 /nfs/dbraw/zinc/72/20/64/382722064.db2.gz VDZQPXXBQQSBJH-UHFFFAOYSA-N 1 0 282.365 2.589 20 5 CFBDRO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000193895858 382728584 /nfs/dbraw/zinc/72/85/84/382728584.db2.gz CEQQGMSZCQMOGO-NSHDSACASA-N 1 0 299.330 2.545 20 5 CFBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194005931 382732463 /nfs/dbraw/zinc/73/24/63/382732463.db2.gz CBFMDXBKGDYOJN-NWDGAFQWSA-N 1 0 291.351 2.702 20 5 CFBDRO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000336846959 382734084 /nfs/dbraw/zinc/73/40/84/382734084.db2.gz CFLZGSYDTVFIGG-GXTWGEPZSA-N 1 0 296.367 2.605 20 5 CFBDRO CCC[C@H](NCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000212226612 382776257 /nfs/dbraw/zinc/77/62/57/382776257.db2.gz ROAWGTUKMAJFBQ-HNNXBMFYSA-N 1 0 288.351 2.959 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000219919448 382794853 /nfs/dbraw/zinc/79/48/53/382794853.db2.gz WIFBGZJWWRZPFV-JOYOIKCWSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)COC(C)C)cccc1[N+](=O)[O-] ZINC000337252891 382786265 /nfs/dbraw/zinc/78/62/65/382786265.db2.gz LJESNCSWFAIZNT-LLVKDONJSA-N 1 0 266.341 2.806 20 5 CFBDRO C=Cn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194349790 382741378 /nfs/dbraw/zinc/74/13/78/382741378.db2.gz MMTZKCYCFIBYGJ-NSHDSACASA-N 1 0 272.308 2.743 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000220349841 382795848 /nfs/dbraw/zinc/79/58/48/382795848.db2.gz RBLKYDXFQBQGGC-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000220363253 382796016 /nfs/dbraw/zinc/79/60/16/382796016.db2.gz JIPSEQNIQUIJNA-ZDUSSCGKSA-N 1 0 289.379 2.559 20 5 CFBDRO O=C(CC[NH2+][C@@H]1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000576150140 382812377 /nfs/dbraw/zinc/81/23/77/382812377.db2.gz FTBILJASVOIYKY-GFCCVEGCSA-N 1 0 289.335 2.622 20 5 CFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000337481461 382828939 /nfs/dbraw/zinc/82/89/39/382828939.db2.gz QUQRRKTWOBKINY-ZFWWWQNUSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227378674 382836799 /nfs/dbraw/zinc/83/67/99/382836799.db2.gz WEQJSGLLYOPVIN-HOCLYGCPSA-N 1 0 290.363 2.722 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227902124 382842661 /nfs/dbraw/zinc/84/26/61/382842661.db2.gz DSCCFAYQKVYXSL-NEPJUHHUSA-N 1 0 279.315 2.773 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577005489 382844193 /nfs/dbraw/zinc/84/41/93/382844193.db2.gz ZHHXYJNIBODGRK-RISCZKNCSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230689686 382862278 /nfs/dbraw/zinc/86/22/78/382862278.db2.gz QBXDYIIDQGFZNY-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000231675291 382866441 /nfs/dbraw/zinc/86/64/41/382866441.db2.gz DLDNQNFVRBDUKO-VHRBIJSZSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000577669754 382867328 /nfs/dbraw/zinc/86/73/28/382867328.db2.gz ITUJVOXDWSNEPV-LYASGUKUSA-N 1 0 292.379 2.995 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000231884454 382867421 /nfs/dbraw/zinc/86/74/21/382867421.db2.gz LBXVMHQOYISLIQ-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO CSC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000235231137 382878214 /nfs/dbraw/zinc/87/82/14/382878214.db2.gz JNYRCTQDSAERSH-UHFFFAOYSA-N 1 0 266.366 2.623 20 5 CFBDRO Cc1c(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000578833453 382957593 /nfs/dbraw/zinc/95/75/93/382957593.db2.gz UVZWHOOEAUKDBT-UHFFFAOYSA-N 1 0 288.351 2.577 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000421878423 382957835 /nfs/dbraw/zinc/95/78/35/382957835.db2.gz NHPISCOXWAVDSI-NWDGAFQWSA-N 1 0 298.408 2.826 20 5 CFBDRO C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000441958732 382926777 /nfs/dbraw/zinc/92/67/77/382926777.db2.gz WTCVLADLWFZFTF-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000423012877 383010394 /nfs/dbraw/zinc/01/03/94/383010394.db2.gz DWVSFKOJAPEVDM-ACJTYDJDSA-N 1 0 275.352 2.528 20 5 CFBDRO Cc1ncccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338956474 383100298 /nfs/dbraw/zinc/10/02/98/383100298.db2.gz UGZBWQOKJNVTJT-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246798433 383104727 /nfs/dbraw/zinc/10/47/27/383104727.db2.gz ROSHUNWWTLZEIR-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000339002395 383116050 /nfs/dbraw/zinc/11/60/50/383116050.db2.gz JLDKSDQZSWPPNC-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566806610 383213971 /nfs/dbraw/zinc/21/39/71/383213971.db2.gz TZSSXNLWILPHFT-BXUZGUMPSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCSC1 ZINC000449290138 383202407 /nfs/dbraw/zinc/20/24/07/383202407.db2.gz DQVDUHTYAUGCJK-RYUDHWBXSA-N 1 0 280.393 2.869 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000449063348 383157607 /nfs/dbraw/zinc/15/76/07/383157607.db2.gz PGKFXMKPDAGMHN-GFCCVEGCSA-N 1 0 274.320 2.951 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000248595014 383268337 /nfs/dbraw/zinc/26/83/37/383268337.db2.gz HYMLSLJLTWELST-GOEBONIOSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCOC1 ZINC000567405971 383272557 /nfs/dbraw/zinc/27/25/57/383272557.db2.gz CDFOLRGKRBLIAO-COPLHBTASA-N 1 0 276.336 2.597 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000519521745 383219978 /nfs/dbraw/zinc/21/99/78/383219978.db2.gz DMTVIGGYMOXKEN-LLVKDONJSA-N 1 0 298.774 2.564 20 5 CFBDRO CO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000339527363 383233032 /nfs/dbraw/zinc/23/30/32/383233032.db2.gz URMJEQJKDILDAM-ZDTYVGOBSA-N 1 0 276.336 2.623 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492084 383330703 /nfs/dbraw/zinc/33/07/03/383330703.db2.gz BFCLWBCHFMXSDO-DOMZBBRYSA-N 1 0 278.352 2.760 20 5 CFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000449506501 383342103 /nfs/dbraw/zinc/34/21/03/383342103.db2.gz KZMAFAIGGDIHGT-CVEARBPZSA-N 1 0 294.395 2.974 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449430804 383290477 /nfs/dbraw/zinc/29/04/77/383290477.db2.gz YPEZTRJZMXNMJM-KWMLIXQSSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449448175 383299825 /nfs/dbraw/zinc/29/98/25/383299825.db2.gz FOPLBRQTZPCQML-NWDGAFQWSA-N 1 0 280.368 2.665 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(CC)OC ZINC000449471650 383314947 /nfs/dbraw/zinc/31/49/47/383314947.db2.gz CYYVAQMQCPFBDE-HNNXBMFYSA-N 1 0 296.367 2.898 20 5 CFBDRO CC[C@](C)(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449479755 383321112 /nfs/dbraw/zinc/32/11/12/383321112.db2.gz WCYVZRJKVRPFJF-IUODEOHRSA-N 1 0 280.368 2.931 20 5 CFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252513084 383416786 /nfs/dbraw/zinc/41/67/86/383416786.db2.gz KCKYLUUMBNTAAQ-STQMWFEESA-N 1 0 291.351 2.642 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249739089 383359078 /nfs/dbraw/zinc/35/90/78/383359078.db2.gz HPCCKKCGISOPCP-QJPTWQEYSA-N 1 0 293.367 2.946 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249889453 383366045 /nfs/dbraw/zinc/36/60/45/383366045.db2.gz CBBPOVQINLTOIP-RYUDHWBXSA-N 1 0 279.315 2.773 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000568647426 383424122 /nfs/dbraw/zinc/42/41/22/383424122.db2.gz NJVDWYUWIDGWAG-XUJVJEKNSA-N 1 0 289.379 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000253103984 383445638 /nfs/dbraw/zinc/44/56/38/383445638.db2.gz ZDPZNGVTUACHOC-ARFHVFGLSA-N 1 0 290.363 2.720 20 5 CFBDRO CCc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000450540288 383452349 /nfs/dbraw/zinc/45/23/49/383452349.db2.gz OSFXEIISLBFTQL-UHFFFAOYSA-N 1 0 299.330 2.951 20 5 CFBDRO CO[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255341272 383479667 /nfs/dbraw/zinc/47/96/67/383479667.db2.gz VSYPCYHFNRVHRN-HJHHMULASA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1ccnc(N[C@@H]2C[C@@H](C)n3ccnc32)c1[N+](=O)[O-] ZINC000450827484 383507781 /nfs/dbraw/zinc/50/77/81/383507781.db2.gz IADIZCRIHBSROA-NXEZZACHSA-N 1 0 273.296 2.613 20 5 CFBDRO CCn1ccnc1[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000450828655 383507899 /nfs/dbraw/zinc/50/78/99/383507899.db2.gz KVCRIZCJQJGSBG-SECBINFHSA-N 1 0 292.343 2.509 20 5 CFBDRO Cc1c(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000261625535 383530597 /nfs/dbraw/zinc/53/05/97/383530597.db2.gz GZHZGRJJRPHAHO-NWDGAFQWSA-N 1 0 291.351 2.749 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CC(F)F)cccc1[N+](=O)[O-] ZINC000429459064 383533300 /nfs/dbraw/zinc/53/33/00/383533300.db2.gz ZSWXAIHEFFKULU-UWVGGRQHSA-N 1 0 288.294 2.570 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000569743881 383533536 /nfs/dbraw/zinc/53/35/36/383533536.db2.gz FSZOTSJDXSVQGG-LLVKDONJSA-N 1 0 295.383 2.992 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C1CC1 ZINC000569826093 383542324 /nfs/dbraw/zinc/54/23/24/383542324.db2.gz WVIQOAHIGAEDIN-IAQYHMDHSA-N 1 0 289.379 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1CC(F)(F)C1)C2 ZINC000570131967 383574450 /nfs/dbraw/zinc/57/44/50/383574450.db2.gz GHBOUYWRRXHRRG-UHFFFAOYSA-N 1 0 282.290 2.998 20 5 CFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncccc1[N+](=O)[O-] ZINC000341095486 383562916 /nfs/dbraw/zinc/56/29/16/383562916.db2.gz GMHUEQUGLYIZTA-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO CCOCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551710 383643454 /nfs/dbraw/zinc/64/34/54/383643454.db2.gz URWDNCUBPAZXJE-AWEZNQCLSA-N 1 0 278.352 2.811 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCCCO)C2)cc1 ZINC000451550902 383643993 /nfs/dbraw/zinc/64/39/93/383643993.db2.gz SWIDGQQYBDEGCI-OAHLLOKOSA-N 1 0 292.379 2.937 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000572126269 383756730 /nfs/dbraw/zinc/75/67/30/383756730.db2.gz UEEMCRFLUBUMJP-NSHDSACASA-N 1 0 296.346 2.663 20 5 CFBDRO CC[C@H]([NH2+]CCN1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280976577 195055036 /nfs/dbraw/zinc/05/50/36/195055036.db2.gz LSBRVVPJSQCDEA-INIZCTEOSA-N 1 0 289.379 2.897 20 5 CFBDRO CC1=CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000436268612 383796958 /nfs/dbraw/zinc/79/69/58/383796958.db2.gz HROMGIFCWMOQFD-UHFFFAOYSA-N 1 0 262.309 2.626 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C(C)(C)C ZINC000453197436 383797959 /nfs/dbraw/zinc/79/79/59/383797959.db2.gz TWQOSAZSCOJAPD-SWLSCSKDSA-N 1 0 294.395 2.913 20 5 CFBDRO CN(C)CC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000453597805 383867300 /nfs/dbraw/zinc/86/73/00/383867300.db2.gz MYNWQIMRMRSIAI-CLFYSBASSA-N 1 0 277.368 2.538 20 5 CFBDRO CC[C@@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000265234103 383869305 /nfs/dbraw/zinc/86/93/05/383869305.db2.gz NNONPSMEFJKEJB-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000265417191 383910125 /nfs/dbraw/zinc/91/01/25/383910125.db2.gz DUUNGFTUUAYBBU-ZDUSSCGKSA-N 1 0 279.340 2.654 20 5 CFBDRO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000438334598 383985036 /nfs/dbraw/zinc/98/50/36/383985036.db2.gz MAJXFSABONEWND-ZQMJAJRESA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000573933764 384018306 /nfs/dbraw/zinc/01/83/06/384018306.db2.gz JQTKYNZYCYOVGZ-IAQYHMDHSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532424 384043820 /nfs/dbraw/zinc/04/38/20/384043820.db2.gz HIXLMQHYYJILIT-OLZOCXBDSA-N 1 0 277.368 2.587 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000532482088 384034526 /nfs/dbraw/zinc/03/45/26/384034526.db2.gz MDSKXKCHJIGBFD-QWHCGFSZSA-N 1 0 289.379 2.791 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCOCC1 ZINC000532494460 384037281 /nfs/dbraw/zinc/03/72/81/384037281.db2.gz CMBAOQNGYAXAHQ-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000266239390 384125653 /nfs/dbraw/zinc/12/56/53/384125653.db2.gz LAFDTUCSSLRYEM-NXEZZACHSA-N 1 0 298.774 2.562 20 5 CFBDRO CC(C)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266525351 384190933 /nfs/dbraw/zinc/19/09/33/384190933.db2.gz KCDDFBDMDFMYCG-ZDUSSCGKSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](C)C1 ZINC000266780844 384237080 /nfs/dbraw/zinc/23/70/80/384237080.db2.gz ZUPXWOVHMCAFMJ-NWDGAFQWSA-N 1 0 264.325 2.767 20 5 CFBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277256159 384246421 /nfs/dbraw/zinc/24/64/21/384246421.db2.gz WFWMFLRMNCUCCM-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266932732 384264725 /nfs/dbraw/zinc/26/47/25/384264725.db2.gz MXUHGWFUEMHXKR-NSHDSACASA-N 1 0 297.786 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCCCC2)c(F)c1 ZINC000266997295 384275510 /nfs/dbraw/zinc/27/55/10/384275510.db2.gz FFOKEXVROFXRPJ-UHFFFAOYSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267134342 384306957 /nfs/dbraw/zinc/30/69/57/384306957.db2.gz WILIRNHNXIKILE-AWEZNQCLSA-N 1 0 295.408 2.752 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000267015038 384278863 /nfs/dbraw/zinc/27/88/63/384278863.db2.gz IPNOCPZLYMBFHH-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000267022137 384280348 /nfs/dbraw/zinc/28/03/48/384280348.db2.gz KNTMDKXWQCKDBA-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000267282393 384346989 /nfs/dbraw/zinc/34/69/89/384346989.db2.gz VOXLNMDWTAFMFL-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000267232125 384330584 /nfs/dbraw/zinc/33/05/84/384330584.db2.gz LCYACNDEGMDPJP-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277875665 384430920 /nfs/dbraw/zinc/43/09/20/384430920.db2.gz NQUIIFONNCDMBK-BXKDBHETSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000369462994 285110453 /nfs/dbraw/zinc/11/04/53/285110453.db2.gz ALGUCORQBNEDRB-HZPDHXFCSA-N 1 0 290.363 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000061588251 285115193 /nfs/dbraw/zinc/11/51/93/285115193.db2.gz IRKHKYDXOZKQBH-LLVKDONJSA-N 1 0 252.339 2.580 20 5 CFBDRO COC1CC([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000352220800 220299942 /nfs/dbraw/zinc/29/99/42/220299942.db2.gz JXAJBTWOFXLTLV-UHFFFAOYSA-N 1 0 284.743 2.857 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000268025658 384512447 /nfs/dbraw/zinc/51/24/47/384512447.db2.gz IZCRFKGOISSLIR-OLZOCXBDSA-N 1 0 277.368 2.822 20 5 CFBDRO C[C@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278971943 384603362 /nfs/dbraw/zinc/60/33/62/384603362.db2.gz CFUCBVCXALWYKV-QMTHXVAHSA-N 1 0 278.352 2.678 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268859122 384677267 /nfs/dbraw/zinc/67/72/67/384677267.db2.gz RDYTWWVYPBGCGH-OLZOCXBDSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000269676454 384831531 /nfs/dbraw/zinc/83/15/31/384831531.db2.gz WRNPSAFEDDZRCE-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCC1)CCO2 ZINC000352681469 285142106 /nfs/dbraw/zinc/14/21/06/285142106.db2.gz XJOJMHZCJXJDQM-UHFFFAOYSA-N 1 0 262.309 2.589 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280265472 384950405 /nfs/dbraw/zinc/95/04/05/384950405.db2.gz YADZXVPRVXJDDS-SWLSCSKDSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCOC1)CCC2 ZINC000278163422 285145009 /nfs/dbraw/zinc/14/50/09/285145009.db2.gz BTKSXUVRNYKOSO-IAQYHMDHSA-N 1 0 276.336 2.598 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C1CCC1)CCC2 ZINC000453378794 285145141 /nfs/dbraw/zinc/14/51/41/285145141.db2.gz JQLJADUVRMUDRD-HZPDHXFCSA-N 1 0 290.363 2.723 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280256318 384948631 /nfs/dbraw/zinc/94/86/31/384948631.db2.gz WXIGLUTWLIUJSW-OLZOCXBDSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118946582 412993737 /nfs/dbraw/zinc/99/37/37/412993737.db2.gz AHBFOLFMSYIYDZ-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000289223268 197267411 /nfs/dbraw/zinc/26/74/11/197267411.db2.gz ZJITWACRYQSKDH-VIFPVBQESA-N 1 0 272.374 2.584 20 5 CFBDRO CCC(=O)c1ccc(NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280648101 385100023 /nfs/dbraw/zinc/10/00/23/385100023.db2.gz FDZWZNZLLCLOIP-LLVKDONJSA-N 1 0 291.351 2.551 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000287602683 285156431 /nfs/dbraw/zinc/15/64/31/285156431.db2.gz YKHUKWXZJAWOOW-GFCCVEGCSA-N 1 0 293.342 2.799 20 5 CFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000282184017 385240056 /nfs/dbraw/zinc/24/00/56/385240056.db2.gz MZAQMEFRKUTVNT-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](c1cnccn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282405241 385302564 /nfs/dbraw/zinc/30/25/64/385302564.db2.gz IDGBFFXZWOZKNB-GFCCVEGCSA-N 1 0 286.335 2.620 20 5 CFBDRO CSCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282461280 385317479 /nfs/dbraw/zinc/31/74/79/385317479.db2.gz JUAJHICENZJXCB-UHFFFAOYSA-N 1 0 272.345 2.919 20 5 CFBDRO COc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282464262 385317763 /nfs/dbraw/zinc/31/77/63/385317763.db2.gz UEVHFBOYTKEDHV-YPMHNXCESA-N 1 0 294.351 2.603 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000282355677 385291162 /nfs/dbraw/zinc/29/11/62/385291162.db2.gz VWWRZZSFNAMQQT-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO C[NH+](C)CC1(NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000282376705 385296719 /nfs/dbraw/zinc/29/67/19/385296719.db2.gz XCPYJNFEDCTFMJ-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO CCC1(O)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000271189177 385369032 /nfs/dbraw/zinc/36/90/32/385369032.db2.gz KTHBTHROYVBGEI-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282500324 385326669 /nfs/dbraw/zinc/32/66/69/385326669.db2.gz QUNPQLFTALROFQ-UHFFFAOYSA-N 1 0 284.331 2.765 20 5 CFBDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284059419 385529729 /nfs/dbraw/zinc/52/97/29/385529729.db2.gz KQUJSLYPNUKUJC-NSHDSACASA-N 1 0 295.383 2.626 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284069534 385531473 /nfs/dbraw/zinc/53/14/73/385531473.db2.gz LGJOGUNNIMTEJI-ZYHUDNBSSA-N 1 0 295.383 2.625 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000288823782 197173852 /nfs/dbraw/zinc/17/38/52/197173852.db2.gz NKTPIJJGXHQGQX-HNNXBMFYSA-N 1 0 278.352 2.579 20 5 CFBDRO CCN(CCOC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272850772 385633134 /nfs/dbraw/zinc/63/31/34/385633134.db2.gz VJLGWHHMPPURJL-UHFFFAOYSA-N 1 0 272.732 2.717 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000288716149 197150870 /nfs/dbraw/zinc/15/08/70/197150870.db2.gz FRCPYVMDXMVAGT-OAHLLOKOSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000287197445 385801674 /nfs/dbraw/zinc/80/16/74/385801674.db2.gz WCPSBSBJSMQWGK-GFCCVEGCSA-N 1 0 297.424 2.617 20 5 CFBDRO Cc1cccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000275495936 385976937 /nfs/dbraw/zinc/97/69/37/385976937.db2.gz RXAMJCDQNOSNLV-KBPBESRZSA-N 1 0 289.379 2.824 20 5 CFBDRO CCOCC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000288472044 197087673 /nfs/dbraw/zinc/08/76/73/197087673.db2.gz FWIGXYPWUPTYNS-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000276857818 386062157 /nfs/dbraw/zinc/06/21/57/386062157.db2.gz FYHOMCGZNVNUQE-GFCCVEGCSA-N 1 0 296.392 2.931 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000288373621 197061765 /nfs/dbraw/zinc/06/17/65/197061765.db2.gz FIOIILIFKRRXTC-GFCCVEGCSA-N 1 0 296.392 2.836 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288298609 197046050 /nfs/dbraw/zinc/04/60/50/197046050.db2.gz HXSPNFMMQSSMMM-GFCCVEGCSA-N 1 0 295.358 2.902 20 5 CFBDRO COCC1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000575311636 322723381 /nfs/dbraw/zinc/72/33/81/322723381.db2.gz QRNPISYKBFMJNU-UHFFFAOYSA-N 1 0 270.354 2.563 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425342399 533222249 /nfs/dbraw/zinc/22/22/49/533222249.db2.gz HDYGCCTWYKYUIM-AAEUAGOBSA-N 1 0 282.365 2.587 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000281703039 195345141 /nfs/dbraw/zinc/34/51/41/195345141.db2.gz NWFFOZBDBYDLOA-SMDDNHRTSA-N 1 0 294.351 2.603 20 5 CFBDRO CCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000341829036 130062108 /nfs/dbraw/zinc/06/21/08/130062108.db2.gz MLEDPJVZZZSTAP-UHFFFAOYSA-N 1 0 263.341 2.517 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000192249905 130404788 /nfs/dbraw/zinc/40/47/88/130404788.db2.gz QSDNBICOKCZHRD-WDEREUQCSA-N 1 0 274.324 2.740 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000342289469 130418452 /nfs/dbraw/zinc/41/84/52/130418452.db2.gz CFGCLFJIFMRILA-GJZGRUSLSA-N 1 0 278.352 2.686 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC000357315319 130436860 /nfs/dbraw/zinc/43/68/60/130436860.db2.gz NJKOCMUNCNWTRJ-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO CN(CC1CC[NH+](C)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000264257854 131421482 /nfs/dbraw/zinc/42/14/82/131421482.db2.gz ZQJJUAFFIALYMM-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c(C)n1 ZINC000268463184 132012998 /nfs/dbraw/zinc/01/29/98/132012998.db2.gz HNTXZUHBDAFLAU-UHFFFAOYSA-N 1 0 269.370 2.732 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000268826724 132072789 /nfs/dbraw/zinc/07/27/89/132072789.db2.gz JITKNCKTWIGBPE-NWDGAFQWSA-N 1 0 264.325 2.590 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000268946411 132091842 /nfs/dbraw/zinc/09/18/42/132091842.db2.gz QSQLIGLEYHWPSG-CMPLNLGQSA-N 1 0 266.341 2.572 20 5 CFBDRO CSC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269035274 132102395 /nfs/dbraw/zinc/10/23/95/132102395.db2.gz TUVIEYUNTLQOMP-RISCZKNCSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000301460834 393470890 /nfs/dbraw/zinc/47/08/90/393470890.db2.gz ZAKOLZJLWCVOPY-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301473162 393472520 /nfs/dbraw/zinc/47/25/20/393472520.db2.gz QQIDOISCICRHOP-CYBMUJFWSA-N 1 0 277.368 2.763 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000181775990 393501172 /nfs/dbraw/zinc/50/11/72/393501172.db2.gz CUBXZMDSZBCTPU-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000312850473 393521866 /nfs/dbraw/zinc/52/18/66/393521866.db2.gz WCUJNYLQCWWMIC-MWLCHTKSSA-N 1 0 281.331 2.606 20 5 CFBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191828395 393608707 /nfs/dbraw/zinc/60/87/07/393608707.db2.gz LFZLUIPSCNMYEA-QWHCGFSZSA-N 1 0 280.372 2.740 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193848408 393665764 /nfs/dbraw/zinc/66/57/64/393665764.db2.gz MFFMXSCKNYEZNL-ZDUSSCGKSA-N 1 0 286.335 2.698 20 5 CFBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000195510806 393742724 /nfs/dbraw/zinc/74/27/24/393742724.db2.gz IOAIZWQIQVOTDE-UHFFFAOYSA-N 1 0 298.412 2.752 20 5 CFBDRO [NH3+]CCCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000336698011 393745730 /nfs/dbraw/zinc/74/57/30/393745730.db2.gz BWUDBERBZKJVPM-UHFFFAOYSA-N 1 0 299.374 2.946 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000077248980 393697144 /nfs/dbraw/zinc/69/71/44/393697144.db2.gz KFRMENBFXJNYDT-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO C[NH+](C)CC1(CNc2ncc([N+](=O)[O-])cc2F)CCCC1 ZINC000413230989 393780347 /nfs/dbraw/zinc/78/03/47/393780347.db2.gz LPGVXBWPQVNAAI-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000231383247 393781239 /nfs/dbraw/zinc/78/12/39/393781239.db2.gz WFPXSECXWKWBCW-JTQLQIEISA-N 1 0 272.370 2.545 20 5 CFBDRO C[NH+](C)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000339021110 393811517 /nfs/dbraw/zinc/81/15/17/393811517.db2.gz LUUCDTWAJWGNDM-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO COc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000111047655 393884070 /nfs/dbraw/zinc/88/40/70/393884070.db2.gz FDAKEKOOWZYNLN-LBPRGKRZSA-N 1 0 293.367 2.746 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000466819792 393894621 /nfs/dbraw/zinc/89/46/21/393894621.db2.gz RZOOOPFZWODAOC-FZMZJTMJSA-N 1 0 275.352 2.798 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CCO)C(C)C ZINC000468630470 393896264 /nfs/dbraw/zinc/89/62/64/393896264.db2.gz YBOAFOCYURQRJO-RCBBPTIPSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCOC1 ZINC000470172823 393898721 /nfs/dbraw/zinc/89/87/21/393898721.db2.gz CWDMNYZRRQCCPL-XETPBLJFSA-N 1 0 290.363 2.966 20 5 CFBDRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246212321 393854627 /nfs/dbraw/zinc/85/46/27/393854627.db2.gz KKMBZLGXJGIBGT-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1c(C[N@@H+]2[C@H](C)CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000246250944 393856666 /nfs/dbraw/zinc/85/66/66/393856666.db2.gz JLPKSIVBWYKZCH-RISCZKNCSA-N 1 0 278.352 2.639 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000417357825 393950423 /nfs/dbraw/zinc/95/04/23/393950423.db2.gz SEYDIKNSCLOYRU-CYBMUJFWSA-N 1 0 291.395 2.600 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC2(CCC2)C1 ZINC000255240910 393943497 /nfs/dbraw/zinc/94/34/97/393943497.db2.gz NETXINUUJRTSRM-UTCJRWHESA-N 1 0 288.347 2.863 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417396680 393956248 /nfs/dbraw/zinc/95/62/48/393956248.db2.gz XGPKDKHJMCABJU-CMPLNLGQSA-N 1 0 299.321 2.585 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC1CC1 ZINC000430220895 393969804 /nfs/dbraw/zinc/96/98/04/393969804.db2.gz QNCZHSAWSUXDDC-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CCC1 ZINC000430236094 393971823 /nfs/dbraw/zinc/97/18/23/393971823.db2.gz NALXORHUKGPDOU-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268796121 393994284 /nfs/dbraw/zinc/99/42/84/393994284.db2.gz BWADZJAIIPDLGO-XJKSGUPXSA-N 1 0 289.379 2.824 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125310950 394004998 /nfs/dbraw/zinc/00/49/98/394004998.db2.gz TXYPYPPDHSNMQW-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1c(C[NH2+][C@H](CO)c2ccsc2)cccc1[N+](=O)[O-] ZINC000352033318 394009621 /nfs/dbraw/zinc/00/96/21/394009621.db2.gz SCOAMNPFURPYPF-CYBMUJFWSA-N 1 0 292.360 2.788 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CC1 ZINC000418118071 394013822 /nfs/dbraw/zinc/01/38/22/394013822.db2.gz VDCFXMQOLWHREO-LCYFTJDESA-N 1 0 289.379 2.682 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433223703 394014507 /nfs/dbraw/zinc/01/45/07/394014507.db2.gz SBRPYAAIWUMWIJ-QMTHXVAHSA-N 1 0 278.352 2.942 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000127328926 394048194 /nfs/dbraw/zinc/04/81/94/394048194.db2.gz YZYBSPMJNCEKNA-HNNXBMFYSA-N 1 0 291.395 2.819 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@@H]2CCOC2)C2CC2)c1 ZINC000437579426 394060915 /nfs/dbraw/zinc/06/09/15/394060915.db2.gz QWWZCOPPLKVEHC-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO COC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000358195965 394097961 /nfs/dbraw/zinc/09/79/61/394097961.db2.gz DMHIHYVULDBEEV-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1cc(N2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272859487 394031676 /nfs/dbraw/zinc/03/16/76/394031676.db2.gz QFMLEUFQEAKKOX-LLVKDONJSA-N 1 0 287.319 2.677 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353564068 394032386 /nfs/dbraw/zinc/03/23/86/394032386.db2.gz HNPQVJPLKRCFCN-QWHCGFSZSA-N 1 0 279.384 2.974 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420279571 394115115 /nfs/dbraw/zinc/11/51/15/394115115.db2.gz KFDNLEFJNKOTKI-WCQYABFASA-N 1 0 293.367 2.671 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000282347674 394124202 /nfs/dbraw/zinc/12/42/02/394124202.db2.gz PBSAVEYTQFONRQ-WFASDCNBSA-N 1 0 278.352 2.903 20 5 CFBDRO C[C@@H]1C[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000420968302 394143939 /nfs/dbraw/zinc/14/39/39/394143939.db2.gz VXUKWOPFYSTMKK-TZMCWYRMSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)CC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360090926 394145513 /nfs/dbraw/zinc/14/55/13/394145513.db2.gz RURYNKKLNBOCHP-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO CC(C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444593382 394145582 /nfs/dbraw/zinc/14/55/82/394145582.db2.gz IGBMYDHHDXULLJ-UHFFFAOYSA-N 1 0 262.313 2.559 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747739 394199267 /nfs/dbraw/zinc/19/92/67/394199267.db2.gz GIZOUVONZHFMMI-GXFFZTMASA-N 1 0 286.335 2.526 20 5 CFBDRO C[C@@H]1C[C@H](CO)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421366806 394204317 /nfs/dbraw/zinc/20/43/17/394204317.db2.gz VTJRGTJISFICHP-BVUKWYMNSA-N 1 0 290.363 2.558 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364423322 394211025 /nfs/dbraw/zinc/21/10/25/394211025.db2.gz SFQQSFIPZUPKSO-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421397073 394220705 /nfs/dbraw/zinc/22/07/05/394220705.db2.gz LCYMFVYNLPSSBW-AWEZNQCLSA-N 1 0 292.379 2.888 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163281 394236488 /nfs/dbraw/zinc/23/64/88/394236488.db2.gz VUWJWCPVTYQHDN-JSGCOSHPSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@H](Cc1ccoc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000449203529 394251446 /nfs/dbraw/zinc/25/14/46/394251446.db2.gz HXZBFWPLDGDDFZ-GFCCVEGCSA-N 1 0 274.320 2.951 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000449208887 394252133 /nfs/dbraw/zinc/25/21/33/394252133.db2.gz PXRHPUKEXIIDQR-DIOULYMOSA-N 1 0 290.363 2.683 20 5 CFBDRO CCOc1cccc(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291685028 394255445 /nfs/dbraw/zinc/25/54/45/394255445.db2.gz FOVVNVULMZOUJJ-LLVKDONJSA-N 1 0 281.356 2.603 20 5 CFBDRO CC(C)[C@H]([NH3+])CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266229 394274979 /nfs/dbraw/zinc/27/49/79/394274979.db2.gz DGSUIZBLRWBZLH-CABCVRRESA-N 1 0 277.368 2.545 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292635304 394276249 /nfs/dbraw/zinc/27/62/49/394276249.db2.gz AJXUQVVJCJITEE-INIZCTEOSA-N 1 0 289.379 2.825 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449544468 394280615 /nfs/dbraw/zinc/28/06/15/394280615.db2.gz QQFIXAKBINTEQM-OBJOEFQTSA-N 1 0 280.368 2.665 20 5 CFBDRO CC/C=C\C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453323851 394385678 /nfs/dbraw/zinc/38/56/78/394385678.db2.gz QFSGYRCNQLCTAD-WKSPHBBESA-N 1 0 278.356 2.831 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178221759 394386750 /nfs/dbraw/zinc/38/67/50/394386750.db2.gz NMLPXLDDPGUTLM-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000270982085 135090367 /nfs/dbraw/zinc/09/03/67/135090367.db2.gz RYKTWLDWDFNBLM-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC(F)F ZINC000530407289 394513264 /nfs/dbraw/zinc/51/32/64/394513264.db2.gz MUGZBHWGYWJVLX-JTQLQIEISA-N 1 0 288.294 2.836 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CCO)CC1 ZINC000535782271 394544557 /nfs/dbraw/zinc/54/45/57/394544557.db2.gz WNVKIQOULOUZEZ-HYXAFXHYSA-N 1 0 290.363 2.702 20 5 CFBDRO CC[C@@H]([NH2+]C1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000539651538 394630073 /nfs/dbraw/zinc/63/00/73/394630073.db2.gz SFKUPDUYXNXPMR-CYBMUJFWSA-N 1 0 264.325 2.815 20 5 CFBDRO COC(C)(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000544607674 394766550 /nfs/dbraw/zinc/76/65/50/394766550.db2.gz IGNKZXOPFNWBCD-UHFFFAOYSA-N 1 0 266.341 2.760 20 5 CFBDRO C[C@H](O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000545949878 394810429 /nfs/dbraw/zinc/81/04/29/394810429.db2.gz BVIQPIQDFFKLTR-MFOKFAIFSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@H](c1cnccn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547344494 394860106 /nfs/dbraw/zinc/86/01/06/394860106.db2.gz ZMEQHZLEFMVYRS-LLVKDONJSA-N 1 0 284.319 2.504 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000548067128 394907660 /nfs/dbraw/zinc/90/76/60/394907660.db2.gz JKTZMPHLSNWYRI-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000548160132 394915801 /nfs/dbraw/zinc/91/58/01/394915801.db2.gz WAOQJBRENWIDGY-VXGBXAGGSA-N 1 0 280.372 2.777 20 5 CFBDRO Nc1c(F)c(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000356169402 155176804 /nfs/dbraw/zinc/17/68/04/155176804.db2.gz INCVDZLOSJKSFF-UHFFFAOYSA-N 1 0 296.346 2.604 20 5 CFBDRO CCOc1cc(N2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000343250053 154154423 /nfs/dbraw/zinc/15/44/23/154154423.db2.gz LRYBBFLLPFRUMS-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000348060409 154301124 /nfs/dbraw/zinc/30/11/24/154301124.db2.gz GTCYQISFZPTVHX-RYUDHWBXSA-N 1 0 264.325 2.882 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348107158 154322576 /nfs/dbraw/zinc/32/25/76/154322576.db2.gz IXCHSUOZEZZNAX-KGLIPLIRSA-N 1 0 276.336 2.882 20 5 CFBDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000355731451 155069268 /nfs/dbraw/zinc/06/92/68/155069268.db2.gz NWNVCGYYKSEZFQ-CYBMUJFWSA-N 1 0 280.368 2.872 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000355775105 155082341 /nfs/dbraw/zinc/08/23/41/155082341.db2.gz HGZHGFZJENXVQQ-PWSUYJOCSA-N 1 0 282.315 2.639 20 5 CFBDRO CCCC[NH+](CCCC)Cc1c([N+](=O)[O-])ncn1C ZINC000355782830 155085123 /nfs/dbraw/zinc/08/51/23/155085123.db2.gz FYHJIOXBNXZZFP-UHFFFAOYSA-N 1 0 268.361 2.731 20 5 CFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000355781379 155085301 /nfs/dbraw/zinc/08/53/01/155085301.db2.gz WWONNOBWGATARY-MWLCHTKSSA-N 1 0 270.354 2.561 20 5 CFBDRO CC(C)(CNc1ccc([N+](=O)[O-])nc1)C[NH+]1CCCC1 ZINC000357963503 155587575 /nfs/dbraw/zinc/58/75/75/155587575.db2.gz IFQBSGVXAHEOGU-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367609387 156362508 /nfs/dbraw/zinc/36/25/08/156362508.db2.gz WNDYUFWTALNCPU-ZDUSSCGKSA-N 1 0 286.335 2.528 20 5 CFBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000344301409 162000830 /nfs/dbraw/zinc/00/08/30/162000830.db2.gz KFQOIYVWYQALEB-YGRLFVJLSA-N 1 0 297.786 2.821 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344436222 162043808 /nfs/dbraw/zinc/04/38/08/162043808.db2.gz PVMAXXHKYPMNHE-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344577452 162072307 /nfs/dbraw/zinc/07/23/07/162072307.db2.gz JKHJHCBQWRNESR-MWLCHTKSSA-N 1 0 272.370 2.543 20 5 CFBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344584206 162073669 /nfs/dbraw/zinc/07/36/69/162073669.db2.gz UWGWMWKFTYQGIA-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344619199 162083498 /nfs/dbraw/zinc/08/34/98/162083498.db2.gz WACIIDGIAPCCBE-AQGQNPDFSA-N 1 0 292.379 2.995 20 5 CFBDRO CO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000344716927 162105755 /nfs/dbraw/zinc/10/57/55/162105755.db2.gz QNMRGHNPEHKFNU-LYASGUKUSA-N 1 0 278.352 2.869 20 5 CFBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344776123 162120023 /nfs/dbraw/zinc/12/00/23/162120023.db2.gz ORGJOQDFNVLUSU-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H](C)CO ZINC000344830325 162129561 /nfs/dbraw/zinc/12/95/61/162129561.db2.gz LSJXOIBVPKWWIA-CKXDQPNJSA-N 1 0 292.379 2.996 20 5 CFBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000344965908 162156123 /nfs/dbraw/zinc/15/61/23/162156123.db2.gz HVNPRXLUIFNJSR-JQWIXIFHSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000345165544 162191534 /nfs/dbraw/zinc/19/15/34/162191534.db2.gz ATNVXTGSIUWLLD-GHMZBOCLSA-N 1 0 281.331 2.653 20 5 CFBDRO C[NH2+][C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000346690142 162492532 /nfs/dbraw/zinc/49/25/32/162492532.db2.gz SDIFBZUFTGIVHB-CYBMUJFWSA-N 1 0 277.368 2.512 20 5 CFBDRO CCC[C@H]1C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346850309 162535013 /nfs/dbraw/zinc/53/50/13/162535013.db2.gz PXOFSQZFUTZOLE-PXTSUWAFSA-N 1 0 289.379 2.682 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348362551 162836354 /nfs/dbraw/zinc/83/63/54/162836354.db2.gz ANIHKQNNSYQNOY-HUUCEWRRSA-N 1 0 260.337 2.916 20 5 CFBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000350289606 163069154 /nfs/dbraw/zinc/06/91/54/163069154.db2.gz RLAVBVZCGCRYFX-UHFFFAOYSA-N 1 0 282.315 2.783 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350291617 163069439 /nfs/dbraw/zinc/06/94/39/163069439.db2.gz VTONSECERWTXBH-BIGNPOOSSA-N 1 0 296.342 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCCC2)c(F)c1 ZINC000350310609 163071318 /nfs/dbraw/zinc/07/13/18/163071318.db2.gz ASPMEGPKTMGDNA-UHFFFAOYSA-N 1 0 296.342 2.909 20 5 CFBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765463 163190752 /nfs/dbraw/zinc/19/07/52/163190752.db2.gz BMFUCFAYJHXNDG-GXFFZTMASA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352819096 163240821 /nfs/dbraw/zinc/24/08/21/163240821.db2.gz WQCMUSHPTMXNFX-QPUJVOFHSA-N 1 0 270.329 2.575 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1ccccc1)CC2 ZINC000353026651 163289549 /nfs/dbraw/zinc/28/95/49/163289549.db2.gz AIKIQGMQESMVLE-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)C1CCCC1 ZINC000353078008 163303801 /nfs/dbraw/zinc/30/38/01/163303801.db2.gz GCEGZMYBDXHDIN-ZHMISCPASA-N 1 0 290.363 2.749 20 5 CFBDRO CC1CC[NH+](CCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020146342 171032709 /nfs/dbraw/zinc/03/27/09/171032709.db2.gz LWMKHFBIGQFJEF-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285279453 196239677 /nfs/dbraw/zinc/23/96/77/196239677.db2.gz RFFIAQQKVCYIEC-LLVKDONJSA-N 1 0 293.367 2.644 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000035692099 172360955 /nfs/dbraw/zinc/36/09/55/172360955.db2.gz LENDFYYOYNTVGM-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285619213 196345398 /nfs/dbraw/zinc/34/53/98/196345398.db2.gz MNWLBPQRSIPJCF-UHFFFAOYSA-N 1 0 288.294 2.512 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+](C)C ZINC000285632869 196349881 /nfs/dbraw/zinc/34/98/81/196349881.db2.gz NJFPRHJREGQESD-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CC(C)[NH+]1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562646 173272835 /nfs/dbraw/zinc/27/28/35/173272835.db2.gz BYPBFNZHSKEYRN-UHFFFAOYSA-N 1 0 283.397 2.619 20 5 CFBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000037999266 173961588 /nfs/dbraw/zinc/96/15/88/173961588.db2.gz GISHMSSIGOUAMM-LBPRGKRZSA-N 1 0 278.356 2.524 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038088196 174100628 /nfs/dbraw/zinc/10/06/28/174100628.db2.gz CSPJRTPPDMGKDS-NEPJUHHUSA-N 1 0 265.357 2.504 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038096053 174110085 /nfs/dbraw/zinc/11/00/85/174110085.db2.gz MYXLIPBWKXPRNY-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000044572463 175209874 /nfs/dbraw/zinc/20/98/74/175209874.db2.gz HWKFSBHCVXASLL-JTQLQIEISA-N 1 0 296.327 2.645 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044656606 175225199 /nfs/dbraw/zinc/22/51/99/175225199.db2.gz SIARKGKLWHLILO-GFCCVEGCSA-N 1 0 266.341 2.980 20 5 CFBDRO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044690439 175233387 /nfs/dbraw/zinc/23/33/87/175233387.db2.gz LEODKUWDNQVTEJ-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000071207320 176080849 /nfs/dbraw/zinc/08/08/49/176080849.db2.gz KWCCBFYJVCDJLI-PWSUYJOCSA-N 1 0 264.325 2.882 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000071207309 176080970 /nfs/dbraw/zinc/08/09/70/176080970.db2.gz CQFNDGRRDSGXCN-GWCFXTLKSA-N 1 0 264.325 2.882 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000081707714 292625156 /nfs/dbraw/zinc/62/51/56/292625156.db2.gz ZCTHLNOGFLNSJU-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282109612 292651966 /nfs/dbraw/zinc/65/19/66/292651966.db2.gz IZBSAJGAAKGZQX-GXTWGEPZSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000222683371 270254797 /nfs/dbraw/zinc/25/47/97/270254797.db2.gz GIFVZAXMEHMKFA-KGLIPLIRSA-N 1 0 261.325 2.634 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000313174268 260138581 /nfs/dbraw/zinc/13/85/81/260138581.db2.gz XYSMCODHXLLAAF-SWHYSGLUSA-N 1 0 266.341 2.795 20 5 CFBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000313146026 260253316 /nfs/dbraw/zinc/25/33/16/260253316.db2.gz WELJFQILYJAFSY-CHWSQXEVSA-N 1 0 286.759 2.887 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCCC[C@H]1O)C2 ZINC000518192453 260352734 /nfs/dbraw/zinc/35/27/34/260352734.db2.gz KAUCHTFIKSSFDE-XJKSGUPXSA-N 1 0 290.363 2.504 20 5 CFBDRO C[C@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000525787192 262238075 /nfs/dbraw/zinc/23/80/75/262238075.db2.gz XVRVRLBTTQTJBG-RYUDHWBXSA-N 1 0 296.392 2.799 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000094195391 265223734 /nfs/dbraw/zinc/22/37/34/265223734.db2.gz QRSLCMZZUHZSGO-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@@H](NC(=O)CCCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766516 270226098 /nfs/dbraw/zinc/22/60/98/270226098.db2.gz IZLPLZBIURDPLV-GFCCVEGCSA-N 1 0 293.367 2.681 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227496717 270257173 /nfs/dbraw/zinc/25/71/73/270257173.db2.gz SGXFZHIHIFXEAL-WCQYABFASA-N 1 0 263.341 2.798 20 5 CFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000237876771 270268385 /nfs/dbraw/zinc/26/83/85/270268385.db2.gz DQEGFPLNNLPQKU-UONOGXRCSA-N 1 0 291.351 2.831 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000396525285 270315045 /nfs/dbraw/zinc/31/50/45/270315045.db2.gz FBAQBVUVILBWLF-CMPLNLGQSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000397882373 270320309 /nfs/dbraw/zinc/32/03/09/270320309.db2.gz LDTNRURYNVOLBK-LBPRGKRZSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414495461 270331198 /nfs/dbraw/zinc/33/11/98/270331198.db2.gz HEGASVPCPKGFCO-PWSUYJOCSA-N 1 0 266.366 2.887 20 5 CFBDRO CO[C@](C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000515670699 270374015 /nfs/dbraw/zinc/37/40/15/270374015.db2.gz UPUKLSQFBRGCCY-GOEBONIOSA-N 1 0 290.363 2.987 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000526966484 270488472 /nfs/dbraw/zinc/48/84/72/270488472.db2.gz WUDCBENPJUBPEF-SRVKXCTJSA-N 1 0 266.341 2.977 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000285321371 274083719 /nfs/dbraw/zinc/08/37/19/274083719.db2.gz IYMXYLLIMCUNTR-TXEJJXNPSA-N 1 0 284.743 2.857 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000124001485 274212560 /nfs/dbraw/zinc/21/25/60/274212560.db2.gz ZIGGLOPFYCQIRZ-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)c1ccccc1 ZINC000423248630 274231368 /nfs/dbraw/zinc/23/13/68/274231368.db2.gz NRESEOLQNZREMJ-BBRMVZONSA-N 1 0 299.374 2.815 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360209186 274353890 /nfs/dbraw/zinc/35/38/90/274353890.db2.gz OYMJQWIXPDFCQQ-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296077183 274356062 /nfs/dbraw/zinc/35/60/62/274356062.db2.gz QGIIWISHUWAOEI-CYBMUJFWSA-N 1 0 289.379 2.511 20 5 CFBDRO C[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000130364179 274492176 /nfs/dbraw/zinc/49/21/76/274492176.db2.gz NHFCLHFEGVYENW-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000278906955 274520861 /nfs/dbraw/zinc/52/08/61/274520861.db2.gz ZVXUXHLBAQLHLC-NORZTCDRSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H](O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317159 274533055 /nfs/dbraw/zinc/53/30/55/274533055.db2.gz VVKAXELQHSQULJ-NHYWBVRUSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC1)CCCC2 ZINC000417306741 275038404 /nfs/dbraw/zinc/03/84/04/275038404.db2.gz DUKUQEKEEARKRI-IUODEOHRSA-N 1 0 276.336 2.741 20 5 CFBDRO CC(C)c1ccc(CN2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000352948950 275739630 /nfs/dbraw/zinc/73/96/30/275739630.db2.gz VOMOIXUUGOMASD-UHFFFAOYSA-N 1 0 291.395 2.902 20 5 CFBDRO CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000192859767 275896681 /nfs/dbraw/zinc/89/66/81/275896681.db2.gz UQDLMZBSSXKCFC-CQSZACIVSA-N 1 0 276.336 2.598 20 5 CFBDRO CCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000453352966 275964453 /nfs/dbraw/zinc/96/44/53/275964453.db2.gz HBIPSGDQBFJJJA-HNNXBMFYSA-N 1 0 290.363 2.988 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132113837 276052635 /nfs/dbraw/zinc/05/26/35/276052635.db2.gz CANPSVPJJIBNLU-ZDUSSCGKSA-N 1 0 278.352 2.939 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261903085 276052848 /nfs/dbraw/zinc/05/28/48/276052848.db2.gz WRPCBHDDZCEHHP-INIZCTEOSA-N 1 0 291.395 2.889 20 5 CFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000347163232 276053023 /nfs/dbraw/zinc/05/30/23/276053023.db2.gz INNIOYDAKGLQBM-LBPRGKRZSA-N 1 0 277.368 2.512 20 5 CFBDRO CC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000352699870 276196668 /nfs/dbraw/zinc/19/66/68/276196668.db2.gz SOBRTJFJXVRFSW-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000354352859 276334098 /nfs/dbraw/zinc/33/40/98/276334098.db2.gz RTMVHWMAYBCSLS-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO CCN(CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000155877438 276348971 /nfs/dbraw/zinc/34/89/71/276348971.db2.gz PQTOHXDCOVFYFH-LBPRGKRZSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](C)O ZINC000453337126 276638527 /nfs/dbraw/zinc/63/85/27/276638527.db2.gz KZJNJJLGFPBDFF-GVXVVHGQSA-N 1 0 266.341 2.713 20 5 CFBDRO CN(C)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417355452 276771125 /nfs/dbraw/zinc/77/11/25/276771125.db2.gz NQFFMUCVEAWVSD-OAHLLOKOSA-N 1 0 289.379 2.656 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000365406412 276794305 /nfs/dbraw/zinc/79/43/05/276794305.db2.gz OMDKKRIUZLZMNM-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287932054 276870467 /nfs/dbraw/zinc/87/04/67/276870467.db2.gz XIAYTAKKTJZLOD-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270170030 277033231 /nfs/dbraw/zinc/03/32/31/277033231.db2.gz KZZCUHFFNSLCNS-CQSZACIVSA-N 1 0 289.379 2.763 20 5 CFBDRO C[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000492378927 277108615 /nfs/dbraw/zinc/10/86/15/277108615.db2.gz VCTSOZCNEVDPIC-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000364302343 277178275 /nfs/dbraw/zinc/17/82/75/277178275.db2.gz IKBVQKKDACGSPH-HZMBPMFUSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272172245 277178410 /nfs/dbraw/zinc/17/84/10/277178410.db2.gz IGOWSNUECMCUQL-HZMBPMFUSA-N 1 0 295.770 2.779 20 5 CFBDRO COC[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439963 277244097 /nfs/dbraw/zinc/24/40/97/277244097.db2.gz SXWUYHVHLKSQKC-VIFPVBQESA-N 1 0 272.732 2.620 20 5 CFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266564318 277389505 /nfs/dbraw/zinc/38/95/05/277389505.db2.gz ZCNXVFKUZNSZGK-RYUDHWBXSA-N 1 0 292.335 2.541 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449089942 277442399 /nfs/dbraw/zinc/44/23/99/277442399.db2.gz FMCXADHYNXIIQD-JSGCOSHPSA-N 1 0 280.368 2.522 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045657202 277560438 /nfs/dbraw/zinc/56/04/38/277560438.db2.gz CHYWIGIRCZKKML-QWRGUYRKSA-N 1 0 252.314 2.528 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192739656 277560665 /nfs/dbraw/zinc/56/06/65/277560665.db2.gz IAMYWCACZOVLIK-XHDPSFHLSA-N 1 0 278.352 2.844 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000228555746 277621871 /nfs/dbraw/zinc/62/18/71/277621871.db2.gz BCCJYDJPDQTCJQ-MNOVXSKESA-N 1 0 266.366 2.999 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[N@H+](C)C1CC1 ZINC000186788556 278310636 /nfs/dbraw/zinc/31/06/36/278310636.db2.gz XGYOAVDMBDXUEA-GFCCVEGCSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000042314691 278347166 /nfs/dbraw/zinc/34/71/66/278347166.db2.gz IBWPNARKVNPMRE-CYBMUJFWSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340277718 278357886 /nfs/dbraw/zinc/35/78/86/278357886.db2.gz MWIQVEPGLPHMIK-RISCZKNCSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000051995997 278381557 /nfs/dbraw/zinc/38/15/57/278381557.db2.gz ZEKVCHLBOXNNCB-SWHYSGLUSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H]1CCC[C@@](CNc2ccncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670253 278504759 /nfs/dbraw/zinc/50/47/59/278504759.db2.gz UKMHYLQGQVRZTG-IUODEOHRSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341135765 278932181 /nfs/dbraw/zinc/93/21/81/278932181.db2.gz YUCPZPGFVBIDRN-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272530543 279275981 /nfs/dbraw/zinc/27/59/81/279275981.db2.gz OVITZUXCPPKUBW-CHWSQXEVSA-N 1 0 288.351 2.921 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000449135517 279348448 /nfs/dbraw/zinc/34/84/48/279348448.db2.gz PXKZUASKAHVTAA-QWHCGFSZSA-N 1 0 291.395 2.598 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC12CCCCC2 ZINC000371157997 279384593 /nfs/dbraw/zinc/38/45/93/279384593.db2.gz ZCZPKSXONKTMLP-UHFFFAOYSA-N 1 0 278.356 2.627 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000249938352 279525940 /nfs/dbraw/zinc/52/59/40/279525940.db2.gz SOBDIUPVOKSJDE-QOWREQOWSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000278906965 279539310 /nfs/dbraw/zinc/53/93/10/279539310.db2.gz ZVXUXHLBAQLHLC-RBOXIYTFSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000073000342 280627715 /nfs/dbraw/zinc/62/77/15/280627715.db2.gz MOZCKCXKVKIIFX-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292376343 288266814 /nfs/dbraw/zinc/26/68/14/288266814.db2.gz SIMMXPNOSLIZLK-ZDUSSCGKSA-N 1 0 289.379 2.905 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000151193743 280801190 /nfs/dbraw/zinc/80/11/90/280801190.db2.gz CSCBEZVCAKNZIR-OLZOCXBDSA-N 1 0 280.368 2.961 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000247930265 281016758 /nfs/dbraw/zinc/01/67/58/281016758.db2.gz BYPXGYCOJANXRJ-SWHYSGLUSA-N 1 0 298.408 2.748 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249541877 281062680 /nfs/dbraw/zinc/06/26/80/281062680.db2.gz FELNTLFELRUDSY-WBMJQRKESA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccsc1 ZINC000265842296 281114192 /nfs/dbraw/zinc/11/41/92/281114192.db2.gz GLGHLNQOKZQBQX-GFCCVEGCSA-N 1 0 298.389 2.715 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000398099920 281204562 /nfs/dbraw/zinc/20/45/62/281204562.db2.gz HGKQVWIZPMAPST-YPMHNXCESA-N 1 0 264.325 2.560 20 5 CFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000537288829 281535321 /nfs/dbraw/zinc/53/53/21/281535321.db2.gz CXYCBZSDYPGJIR-ZDUSSCGKSA-N 1 0 293.367 2.948 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000558259457 281979246 /nfs/dbraw/zinc/97/92/46/281979246.db2.gz VOGREVKRWGIWFP-HIFRSBDPSA-N 1 0 294.395 2.770 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561987176 282064563 /nfs/dbraw/zinc/06/45/63/282064563.db2.gz QNFWAJBYICZNQI-ZYHUDNBSSA-N 1 0 273.336 2.864 20 5 CFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349240611 289192608 /nfs/dbraw/zinc/19/26/08/289192608.db2.gz HPANRFSBNQTEKZ-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCCSCC1CC[NH2+]CC1 ZINC000563078537 290100864 /nfs/dbraw/zinc/10/08/64/290100864.db2.gz DKNPWOOEELEQOG-UHFFFAOYSA-N 1 0 296.392 2.706 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272172255 290159609 /nfs/dbraw/zinc/15/96/09/290159609.db2.gz IGOWSNUECMCUQL-YGRLFVJLSA-N 1 0 295.770 2.779 20 5 CFBDRO CC1(C)CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000563735408 290172263 /nfs/dbraw/zinc/17/22/63/290172263.db2.gz YLDJVYGWBQXQPI-GFCCVEGCSA-N 1 0 280.372 2.740 20 5 CFBDRO O=[N+]([O-])c1cc2cnn(CC[C@@H]3CC[NH2+]C3)c2c(Cl)c1 ZINC000564840375 290238945 /nfs/dbraw/zinc/23/89/45/290238945.db2.gz MWICGYSIGQTZSO-VIFPVBQESA-N 1 0 294.742 2.598 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219734 290283996 /nfs/dbraw/zinc/28/39/96/290283996.db2.gz YYEFODRBDVIMRL-FZMZJTMJSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cn[nH]c1 ZINC000566474625 290391596 /nfs/dbraw/zinc/39/15/96/290391596.db2.gz GWPPYXGOFYMMSZ-RNCFNFMXSA-N 1 0 272.308 2.656 20 5 CFBDRO COc1cc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000566534470 290397828 /nfs/dbraw/zinc/39/78/28/290397828.db2.gz CYFJNQITGBYJOT-SNVBAGLBSA-N 1 0 299.346 2.883 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000086682655 293157627 /nfs/dbraw/zinc/15/76/27/293157627.db2.gz WSINBKBAYPQFPL-AAEUAGOBSA-N 1 0 266.341 2.916 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000376243607 297263734 /nfs/dbraw/zinc/26/37/34/297263734.db2.gz PBYAZPSGARLPKX-VXGBXAGGSA-N 1 0 293.342 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000161472665 322351995 /nfs/dbraw/zinc/35/19/95/322351995.db2.gz IVEGSXUWAMVYSR-LBPRGKRZSA-N 1 0 277.368 2.648 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](C2CC2)CC1 ZINC000163499760 322376315 /nfs/dbraw/zinc/37/63/15/322376315.db2.gz MEUMIAUXYIFFMI-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](O)C(C)C ZINC000165422343 322385021 /nfs/dbraw/zinc/38/50/21/322385021.db2.gz FYHDJIZZLPKKAR-WFASDCNBSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000570580903 322540261 /nfs/dbraw/zinc/54/02/61/322540261.db2.gz HREDMBNLWJDFOD-TYNCELHUSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)C(C)C ZINC000570943047 322561287 /nfs/dbraw/zinc/56/12/87/322561287.db2.gz XQUILTPFFHMLPF-LZWOXQAQSA-N 1 0 292.379 2.967 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)C1CCCC1 ZINC000574823705 322707545 /nfs/dbraw/zinc/70/75/45/322707545.db2.gz VUBSHHMTBTXASY-CABCVRRESA-N 1 0 290.363 2.723 20 5 CFBDRO COC[C@H](C)C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000188464496 324015560 /nfs/dbraw/zinc/01/55/60/324015560.db2.gz IDDITYGRENCULM-LLVKDONJSA-N 1 0 266.341 2.702 20 5 CFBDRO COC[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189667286 324031700 /nfs/dbraw/zinc/03/17/00/324031700.db2.gz DGUWEGSUEPXAAU-GFCCVEGCSA-N 1 0 278.352 2.842 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000382407371 324427215 /nfs/dbraw/zinc/42/72/15/324427215.db2.gz XTSLOVRRWTVGIS-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000382418967 324428208 /nfs/dbraw/zinc/42/82/08/324428208.db2.gz IUXYFXPYYRRBPM-MNOVXSKESA-N 1 0 286.335 2.825 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000394085492 324533746 /nfs/dbraw/zinc/53/37/46/324533746.db2.gz NARSZUYBAOAKAD-AAEUAGOBSA-N 1 0 266.341 2.510 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576597512 324635441 /nfs/dbraw/zinc/63/54/41/324635441.db2.gz UUBLJQSVGBOPCC-ZFWWWQNUSA-N 1 0 278.352 2.579 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581261862 325106451 /nfs/dbraw/zinc/10/64/51/325106451.db2.gz TWNZHTORZYBHGN-AWEZNQCLSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581499150 325127595 /nfs/dbraw/zinc/12/75/95/325127595.db2.gz VHUFDSKFRLWCAP-DDTOSNHZSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CC(O)C1)CCC2 ZINC000582884957 325242455 /nfs/dbraw/zinc/24/24/55/325242455.db2.gz DIZMQQGSVSOMIN-INORYPFCSA-N 1 0 290.363 2.723 20 5 CFBDRO COCCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583391510 325284096 /nfs/dbraw/zinc/28/40/96/325284096.db2.gz XNQKVIMRNPEHBN-AWEZNQCLSA-N 1 0 290.363 2.988 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C(C)(C)C ZINC000583563026 325296247 /nfs/dbraw/zinc/29/62/47/325296247.db2.gz YLCGSOSWQRFZEJ-UHFFFAOYSA-N 1 0 279.340 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1O)CCCC2 ZINC000584042467 325326290 /nfs/dbraw/zinc/32/62/90/325326290.db2.gz NLPPJGUGHOWVQT-BZUAXINKSA-N 1 0 290.363 2.865 20 5 CFBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000423147744 533812984 /nfs/dbraw/zinc/81/29/84/533812984.db2.gz SRNHSYDLZFHFBC-RAQOOLMWSA-N 1 0 275.352 2.528 20 5 CFBDRO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327604 533890345 /nfs/dbraw/zinc/89/03/45/533890345.db2.gz LLWJAZBOFMLEJO-WFASDCNBSA-N 1 0 277.368 2.635 20 5 CFBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359542 519805780 /nfs/dbraw/zinc/80/57/80/519805780.db2.gz QPVSAQQXYSAJGB-ZBFHGGJFSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[N@H+](C)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000054127817 520241113 /nfs/dbraw/zinc/24/11/13/520241113.db2.gz SZZSKBHYGYTYLV-UHFFFAOYSA-N 1 0 257.721 2.612 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000224694236 520366397 /nfs/dbraw/zinc/36/63/97/520366397.db2.gz RPWRWPUPFMPZTD-HUUCEWRRSA-N 1 0 292.379 2.931 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000224694319 520425702 /nfs/dbraw/zinc/42/57/02/520425702.db2.gz RPWRWPUPFMPZTD-LSDHHAIUSA-N 1 0 292.379 2.931 20 5 CFBDRO CCOc1cc(C[N@H+](CC)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361588984 520696834 /nfs/dbraw/zinc/69/68/34/520696834.db2.gz NVLUNCYDTOEPLC-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075073 520773935 /nfs/dbraw/zinc/77/39/35/520773935.db2.gz ZEAHWPOZEUMFMN-OAHLLOKOSA-N 1 0 288.351 2.922 20 5 CFBDRO [NH3+]C1(CNCc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000414857547 534550211 /nfs/dbraw/zinc/55/02/11/534550211.db2.gz DWDFDQYKUFTAGE-UHFFFAOYSA-N 1 0 277.368 2.736 20 5 CFBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000156859089 521360896 /nfs/dbraw/zinc/36/08/96/521360896.db2.gz NCSKVHZOSFDYBE-ZDUSSCGKSA-N 1 0 280.372 2.692 20 5 CFBDRO CCC(CC)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376652306 521523687 /nfs/dbraw/zinc/52/36/87/521523687.db2.gz QADNRWMNAFCFGI-UHFFFAOYSA-N 1 0 280.372 2.864 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422249 521720607 /nfs/dbraw/zinc/72/06/07/521720607.db2.gz IPZLCZLGWKYUQO-BBRMVZONSA-N 1 0 291.395 2.757 20 5 CFBDRO C[NH+](C)CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000341277240 521792629 /nfs/dbraw/zinc/79/26/29/521792629.db2.gz FKWCIXUHMZPCMU-UHFFFAOYSA-N 1 0 278.139 2.875 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000133241173 522073246 /nfs/dbraw/zinc/07/32/46/522073246.db2.gz IJMPGAIIOZAESG-QMMMGPOBSA-N 1 0 291.273 2.881 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936203 522287374 /nfs/dbraw/zinc/28/73/74/522287374.db2.gz WIZWCFDERPNIIP-GHMZBOCLSA-N 1 0 280.372 2.727 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000132003095 522627475 /nfs/dbraw/zinc/62/74/75/522627475.db2.gz SGHPGYYIARHGSK-RYUDHWBXSA-N 1 0 266.341 2.540 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340690259 523266070 /nfs/dbraw/zinc/26/60/70/523266070.db2.gz KLVWHNWLVOXOKO-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000364854863 523780045 /nfs/dbraw/zinc/78/00/45/523780045.db2.gz LHQUNVAEHSYXMP-ZWKOPEQDSA-N 1 0 296.392 2.950 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000339434091 523859255 /nfs/dbraw/zinc/85/92/55/523859255.db2.gz PQGLTAWLANNMMT-AWEZNQCLSA-N 1 0 295.408 2.574 20 5 CFBDRO CO[C@H](C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338703978 523874743 /nfs/dbraw/zinc/87/47/43/523874743.db2.gz BDPISPCBIMMHFG-SMYYYNMVSA-N 1 0 264.325 2.623 20 5 CFBDRO CC[C@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054472407 523884717 /nfs/dbraw/zinc/88/47/17/523884717.db2.gz MUEPEZXHAZSHEX-JTQLQIEISA-N 1 0 252.314 2.739 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313865947 523956328 /nfs/dbraw/zinc/95/63/28/523956328.db2.gz XLDWABKABNVXDZ-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000227828791 524014479 /nfs/dbraw/zinc/01/44/79/524014479.db2.gz CFXOJZYBTHRACR-ZJUUUORDSA-N 1 0 270.354 2.559 20 5 CFBDRO C[NH+](C)C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182055984 524040150 /nfs/dbraw/zinc/04/01/50/524040150.db2.gz VABUBRLVQNTKBI-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H](CCC[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000313282214 524456171 /nfs/dbraw/zinc/45/61/71/524456171.db2.gz DCXPCWJJNMMWBA-ZETCQYMHSA-N 1 0 292.261 2.548 20 5 CFBDRO Cc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000300420951 524700191 /nfs/dbraw/zinc/70/01/91/524700191.db2.gz ARJKSNAJKJEUCD-STQMWFEESA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C[NH+]1CCCCC1 ZINC000053297460 524754958 /nfs/dbraw/zinc/75/49/58/524754958.db2.gz VWAQYJUJRBMIJR-LBPRGKRZSA-N 1 0 278.356 2.524 20 5 CFBDRO Cc1cc(NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000058000404 525267441 /nfs/dbraw/zinc/26/74/41/525267441.db2.gz RGCVAUWETPTTNY-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000227890841 525274120 /nfs/dbraw/zinc/27/41/20/525274120.db2.gz MUKWHVUZGVFQSC-BDAKNGLRSA-N 1 0 285.294 2.768 20 5 CFBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000158237814 525442997 /nfs/dbraw/zinc/44/29/97/525442997.db2.gz KBDCWSIVRVCAAZ-ZYHUDNBSSA-N 1 0 297.786 2.821 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000062726284 525463084 /nfs/dbraw/zinc/46/30/84/525463084.db2.gz YFIARLGZEVSUCQ-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO CSCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069429325 525510291 /nfs/dbraw/zinc/51/02/91/525510291.db2.gz AQNPLYAYMSSZSR-JTQLQIEISA-N 1 0 254.355 2.917 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000077221021 525528185 /nfs/dbraw/zinc/52/81/85/525528185.db2.gz QVQHEGIZYXBWBU-GFCCVEGCSA-N 1 0 299.330 2.712 20 5 CFBDRO Cc1ccnc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000360277546 525691490 /nfs/dbraw/zinc/69/14/90/525691490.db2.gz DBHCWPAMYKSZJR-CHWSQXEVSA-N 1 0 292.383 2.973 20 5 CFBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000305108987 525700044 /nfs/dbraw/zinc/70/00/44/525700044.db2.gz CFXVBWLHELAZEM-YPMHNXCESA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1c(C[NH2+]Cc2cncs2)cccc1[N+](=O)[O-] ZINC000128061885 525724647 /nfs/dbraw/zinc/72/46/47/525724647.db2.gz QRCOEZQGVJNYSX-UHFFFAOYSA-N 1 0 263.322 2.650 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000313075127 525730395 /nfs/dbraw/zinc/73/03/95/525730395.db2.gz WDYZGAGKNSYTPB-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCS1 ZINC000148063954 534886760 /nfs/dbraw/zinc/88/67/60/534886760.db2.gz BFLBQQXSMYWKOZ-LLVKDONJSA-N 1 0 252.339 2.580 20 5 CFBDRO Cc1c([C@@H](C)NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000155762181 525893950 /nfs/dbraw/zinc/89/39/50/525893950.db2.gz WUFGTLYVFAWVHG-CYBMUJFWSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000361399467 525918554 /nfs/dbraw/zinc/91/85/54/525918554.db2.gz FUUMTCUFGIPLCB-SWLSCSKDSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000166246980 525922036 /nfs/dbraw/zinc/92/20/36/525922036.db2.gz ZNEQDSOBUSWKJC-LRDDRELGSA-N 1 0 291.395 2.894 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228085930 525941440 /nfs/dbraw/zinc/94/14/40/525941440.db2.gz UBCUEIFFPRPBFT-UTUOFQBUSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000226731210 525947427 /nfs/dbraw/zinc/94/74/27/525947427.db2.gz FMZGJFMWDRISAE-LEWSCRJBSA-N 1 0 278.352 2.713 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000088147876 526052645 /nfs/dbraw/zinc/05/26/45/526052645.db2.gz UJTWXYYONGSGQG-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)n1 ZINC000360668067 526060996 /nfs/dbraw/zinc/06/09/96/526060996.db2.gz CYTKLOBIYWDPQP-QWHCGFSZSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000079076574 526079474 /nfs/dbraw/zinc/07/94/74/526079474.db2.gz MVLJHZVLCRYVML-UHFFFAOYSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC[C@H](C)O ZINC000245522699 526090330 /nfs/dbraw/zinc/09/03/30/526090330.db2.gz LYZIVBWBHWZECW-RYUDHWBXSA-N 1 0 266.341 2.667 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCC1 ZINC000340821627 526118122 /nfs/dbraw/zinc/11/81/22/526118122.db2.gz QUZXVWWYWOEABY-CYBMUJFWSA-N 1 0 277.368 2.683 20 5 CFBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000176229472 526648904 /nfs/dbraw/zinc/64/89/04/526648904.db2.gz LHEWSHVBKKPPQB-CHWSQXEVSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000176229483 526718346 /nfs/dbraw/zinc/71/83/46/526718346.db2.gz LHEWSHVBKKPPQB-QWHCGFSZSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000176229456 526718351 /nfs/dbraw/zinc/71/83/51/526718351.db2.gz LHEWSHVBKKPPQB-STQMWFEESA-N 1 0 294.399 2.986 20 5 CFBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000052047912 526827182 /nfs/dbraw/zinc/82/71/82/526827182.db2.gz RTEVSAYEXFKFRI-UHFFFAOYSA-N 1 0 290.367 2.584 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000050443259 527332407 /nfs/dbraw/zinc/33/24/07/527332407.db2.gz RSHMWRJZQJVSOJ-LLVKDONJSA-N 1 0 270.716 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000230147384 527350919 /nfs/dbraw/zinc/35/09/19/527350919.db2.gz RNFTYCWKEYXJBK-ZIAGYGMSSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC(F)(F)F)c(Cl)c1 ZINC000353194872 527351143 /nfs/dbraw/zinc/35/11/43/527351143.db2.gz UJOZULVVALRVHM-UHFFFAOYSA-N 1 0 298.648 2.874 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000230316738 527356058 /nfs/dbraw/zinc/35/60/58/527356058.db2.gz AKSBDJYYPQCVCK-KGLIPLIRSA-N 1 0 296.754 2.905 20 5 CFBDRO [NH3+][C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000157386388 527377991 /nfs/dbraw/zinc/37/79/91/527377991.db2.gz KHKJECDOFVEWJM-CVEARBPZSA-N 1 0 283.331 2.829 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cccnc1)CC2 ZINC000361827075 527378306 /nfs/dbraw/zinc/37/83/06/527378306.db2.gz BNWISTRTMBIWLR-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(O)cc2)c1 ZINC000052926095 527386043 /nfs/dbraw/zinc/38/60/43/527386043.db2.gz WLLGVENXDRJZFL-UHFFFAOYSA-N 1 0 258.277 2.590 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000468606988 527502116 /nfs/dbraw/zinc/50/21/16/527502116.db2.gz ISVHVAOBTRQVJC-PHACEPHWSA-N 1 0 290.363 2.747 20 5 CFBDRO CC(C)C[C@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256539 528518468 /nfs/dbraw/zinc/51/84/68/528518468.db2.gz BYEPKTOUDFKTPV-WCQYABFASA-N 1 0 265.357 2.619 20 5 CFBDRO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000126364567 528767814 /nfs/dbraw/zinc/76/78/14/528767814.db2.gz JFDOUIPWCCZAKU-UHFFFAOYSA-N 1 0 282.340 2.842 20 5 CFBDRO CCC[C@@H](N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283826 529018939 /nfs/dbraw/zinc/01/89/39/529018939.db2.gz WJCLEXUBNHUYJE-CABCVRRESA-N 1 0 277.368 2.763 20 5 CFBDRO CCn1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000414208382 529174316 /nfs/dbraw/zinc/17/43/16/529174316.db2.gz ISUOGGXXJPOZJQ-GFCCVEGCSA-N 1 0 288.351 2.532 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459799715 536797180 /nfs/dbraw/zinc/79/71/80/536797180.db2.gz YZJXSKHFWKQDIU-HUUCEWRRSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000754047504 574065972 /nfs/dbraw/zinc/06/59/72/574065972.db2.gz OJGVJJZQPZWCOH-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[N@H+](CCNc1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000228765312 574111601 /nfs/dbraw/zinc/11/16/01/574111601.db2.gz OVUJSRXBBVIOKE-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[Si](C)(C)C ZINC000731211684 574113516 /nfs/dbraw/zinc/11/35/16/574113516.db2.gz VHPXIYOEVHZBCL-UHFFFAOYSA-N 1 0 252.390 2.904 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000741260116 574285183 /nfs/dbraw/zinc/28/51/83/574285183.db2.gz DXOYZXWBWWFILS-AWEZNQCLSA-N 1 0 290.319 2.628 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000749392532 574293080 /nfs/dbraw/zinc/29/30/80/574293080.db2.gz OKUAJODTACDROG-NSHDSACASA-N 1 0 281.331 2.701 20 5 CFBDRO CC[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000736006092 574346538 /nfs/dbraw/zinc/34/65/38/574346538.db2.gz HDXZIMXGBYATCH-CQSZACIVSA-N 1 0 294.351 2.758 20 5 CFBDRO CCC[N@H+](CC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000750601928 574349024 /nfs/dbraw/zinc/34/90/24/574349024.db2.gz HAFMTUFMYNHGNA-UHFFFAOYSA-N 1 0 289.339 2.543 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCOCC2)c1 ZINC000036319325 617610093 /nfs/dbraw/zinc/61/00/93/617610093.db2.gz OTIOYRAWPKDCAI-UHFFFAOYSA-N 1 0 270.716 2.517 20 5 CFBDRO C[C@@H](O)[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000120657975 617757203 /nfs/dbraw/zinc/75/72/03/617757203.db2.gz ZLMRACVIQDBIBV-PWSUYJOCSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCC2)c(F)c1 ZINC000934013155 617863746 /nfs/dbraw/zinc/86/37/46/617863746.db2.gz ZYUUYUMRKJFADM-OAHLLOKOSA-N 1 0 296.342 2.765 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892066276 617934189 /nfs/dbraw/zinc/93/41/89/617934189.db2.gz TUYKISXJSJGUBM-WDEREUQCSA-N 1 0 294.351 2.787 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892221836 618010622 /nfs/dbraw/zinc/01/06/22/618010622.db2.gz HDBZOIBICIGWNO-SNVBAGLBSA-N 1 0 280.324 2.541 20 5 CFBDRO CO[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000050370732 618116949 /nfs/dbraw/zinc/11/69/49/618116949.db2.gz KHAALJMZCKDURM-GDLCADMTSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933384427 618216852 /nfs/dbraw/zinc/21/68/52/618216852.db2.gz ACEDIYRQIJZBPB-XHDPSFHLSA-N 1 0 292.310 2.535 20 5 CFBDRO CCCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892429223 618260325 /nfs/dbraw/zinc/26/03/25/618260325.db2.gz HNJRXGWMHWVQSA-UHFFFAOYSA-N 1 0 268.313 2.589 20 5 CFBDRO CC1(C)C(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000158661954 618412603 /nfs/dbraw/zinc/41/26/03/618412603.db2.gz XVXXVZJFUWTNCA-ZDUSSCGKSA-N 1 0 292.379 2.900 20 5 CFBDRO CC(C)[C@@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396839 620805252 /nfs/dbraw/zinc/80/52/52/620805252.db2.gz ZVLZMTYQSHWWKR-CYBMUJFWSA-N 1 0 261.281 2.906 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CSC1 ZINC000895421330 618582166 /nfs/dbraw/zinc/58/21/66/618582166.db2.gz ACSPGPAJNFEEQW-LLVKDONJSA-N 1 0 280.393 2.869 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000311764174 618722695 /nfs/dbraw/zinc/72/26/95/618722695.db2.gz WMFSPIHAMOIKNB-VXGBXAGGSA-N 1 0 264.325 2.815 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000893220082 618891802 /nfs/dbraw/zinc/89/18/02/618891802.db2.gz JQWPSABQOIJRBW-NSHDSACASA-N 1 0 294.351 2.977 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000313056449 618973529 /nfs/dbraw/zinc/97/35/29/618973529.db2.gz BFZSLOSKYGOVER-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000313458035 618989490 /nfs/dbraw/zinc/98/94/90/618989490.db2.gz CPURPULIGUIDRT-QMTHXVAHSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677234 619154097 /nfs/dbraw/zinc/15/40/97/619154097.db2.gz RCLAPXHPXVRWRF-JQWIXIFHSA-N 1 0 294.351 2.929 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000894944349 619515023 /nfs/dbraw/zinc/51/50/23/619515023.db2.gz PDHBQDMXPNOGHU-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@H]1CCCN2CCSC[C@H]12 ZINC000895565577 619559379 /nfs/dbraw/zinc/55/93/79/619559379.db2.gz ACXHJOHBQFEFBV-GXSJLCMTSA-N 1 0 299.421 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC3(CCC3)O2)cc1 ZINC000895677961 619580893 /nfs/dbraw/zinc/58/08/93/619580893.db2.gz VXXJDFDJFOZBHF-OAHLLOKOSA-N 1 0 290.363 2.829 20 5 CFBDRO C[C@H]1[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000895739074 619593727 /nfs/dbraw/zinc/59/37/27/619593727.db2.gz AUGGPRBHLCQMGR-WCBMZHEXSA-N 1 0 292.364 2.709 20 5 CFBDRO C[C@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000895741050 619594138 /nfs/dbraw/zinc/59/41/38/619594138.db2.gz XMTZXNBUBLGQQF-GXFFZTMASA-N 1 0 286.335 2.648 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1[N+](=O)[O-] ZINC000895754832 619600219 /nfs/dbraw/zinc/60/02/19/619600219.db2.gz ZSEOWHQQHOZWJM-NHYWBVRUSA-N 1 0 292.335 2.731 20 5 CFBDRO CC1(C)CO[C@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895803472 619611644 /nfs/dbraw/zinc/61/16/44/619611644.db2.gz XSJKMIJWGGIYNE-OAHLLOKOSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896580415 619766085 /nfs/dbraw/zinc/76/60/85/619766085.db2.gz UFMVIMKAHNBQKI-LBPRGKRZSA-N 1 0 278.352 2.822 20 5 CFBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000896584987 619767631 /nfs/dbraw/zinc/76/76/31/619767631.db2.gz RHBZMXVTESKUEU-RYWCDNDXSA-N 1 0 276.336 2.719 20 5 CFBDRO C[NH+]1CCC2(CCN2c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000897133195 619937397 /nfs/dbraw/zinc/93/73/97/619937397.db2.gz GHJWLMSUWIISSU-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000925230829 620053341 /nfs/dbraw/zinc/05/33/41/620053341.db2.gz PSZRZIHVVCNHET-ZWNOBZJWSA-N 1 0 289.339 2.525 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000897461777 620176842 /nfs/dbraw/zinc/17/68/42/620176842.db2.gz XFRFBLKZRSCAGY-TYNCELHUSA-N 1 0 278.352 2.855 20 5 CFBDRO COCC(C)(C)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463209 620177141 /nfs/dbraw/zinc/17/71/41/620177141.db2.gz CCYICEJKVLFNQT-GFCCVEGCSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1nn(C)cc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466563 620177332 /nfs/dbraw/zinc/17/73/32/620177332.db2.gz XLQMZNILHVIIME-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@@H](C[NH2+]CC1=CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897468920 620177687 /nfs/dbraw/zinc/17/76/87/620177687.db2.gz BXLXCSGJQXSWER-LBPRGKRZSA-N 1 0 276.336 2.635 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000897468863 620177740 /nfs/dbraw/zinc/17/77/40/620177740.db2.gz ALWTZVLXTPBANM-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cccc1[N+](=O)[O-] ZINC000897501074 620192283 /nfs/dbraw/zinc/19/22/83/620192283.db2.gz MDGLIABXSAKQOC-GOEBONIOSA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC000897505252 620194969 /nfs/dbraw/zinc/19/49/69/620194969.db2.gz JSYDNAJWLXBUAA-HOTGVXAUSA-N 1 0 290.363 2.685 20 5 CFBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925314671 620254750 /nfs/dbraw/zinc/25/47/50/620254750.db2.gz UTOGVJPPYFKYOT-GJZGRUSLSA-N 1 0 278.352 2.746 20 5 CFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841031790 620258656 /nfs/dbraw/zinc/25/86/56/620258656.db2.gz XXVWZZVTOVPCNU-IINYFYTJSA-N 1 0 297.786 2.855 20 5 CFBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000841034347 620264777 /nfs/dbraw/zinc/26/47/77/620264777.db2.gz XFWBKIQHOBXAIS-QWRGUYRKSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)CO1 ZINC000897780844 620283734 /nfs/dbraw/zinc/28/37/34/620283734.db2.gz ZTEFMFMDXJUREJ-CKQAKLJMSA-N 1 0 294.326 2.781 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000898206874 620345295 /nfs/dbraw/zinc/34/52/95/620345295.db2.gz XUPCIMPXLGQGCR-INIZCTEOSA-N 1 0 292.379 2.969 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH+](C)C ZINC000898310083 620370881 /nfs/dbraw/zinc/37/08/81/620370881.db2.gz RYHXQGYOXUYQGL-UHFFFAOYSA-N 1 0 279.384 2.614 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C/C=C/Cl ZINC000898430142 620463314 /nfs/dbraw/zinc/46/33/14/620463314.db2.gz VPGUQWDHDYPWMO-FOKSMMDQSA-N 1 0 252.701 2.924 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C/Cl ZINC000898433338 620463530 /nfs/dbraw/zinc/46/35/30/620463530.db2.gz NBXBECCNIKAZCD-QLCVYAKKSA-N 1 0 297.742 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C\Cl)CC2)cc1 ZINC000898433006 620463694 /nfs/dbraw/zinc/46/36/94/620463694.db2.gz KIOQYCFSKKVWGU-QPIMQUGISA-N 1 0 295.770 2.906 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](CO)C1)CCCC2 ZINC000927143289 620490235 /nfs/dbraw/zinc/49/02/35/620490235.db2.gz GFFDXLRPDZAJGT-RBOXIYTFSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1cc(-c2ccc([N+](=O)[O-])cc2)n(C2CC[NH2+]CC2)n1 ZINC000899363011 620550749 /nfs/dbraw/zinc/55/07/49/620550749.db2.gz AYZODAFBPRLCNU-UHFFFAOYSA-N 1 0 286.335 2.691 20 5 CFBDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000899869790 620607519 /nfs/dbraw/zinc/60/75/19/620607519.db2.gz AEUJIRLYWAYOPZ-CYBMUJFWSA-N 1 0 280.368 2.661 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000901519237 620855019 /nfs/dbraw/zinc/85/50/19/620855019.db2.gz BXFCULYKXFRFHH-LBPRGKRZSA-N 1 0 295.314 2.545 20 5 CFBDRO Cc1nn(CN2CCC(F)(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000902406061 621055176 /nfs/dbraw/zinc/05/51/76/621055176.db2.gz KLJGYAKGWHIDHP-UHFFFAOYSA-N 1 0 296.346 2.580 20 5 CFBDRO C[C@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000902431174 621077285 /nfs/dbraw/zinc/07/72/85/621077285.db2.gz SCVYAFLXINTSSC-DOMZBBRYSA-N 1 0 289.379 2.573 20 5 CFBDRO CCC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902473086 621085801 /nfs/dbraw/zinc/08/58/01/621085801.db2.gz QKTKUPSSTOXYTP-DMRZNYOFSA-N 1 0 289.379 2.919 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000902961678 621214816 /nfs/dbraw/zinc/21/48/16/621214816.db2.gz GIDIVGGDZKMHPU-SSKCKEOISA-N 1 0 298.342 2.904 20 5 CFBDRO COc1cc([C@H](C)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083488 621246089 /nfs/dbraw/zinc/24/60/89/621246089.db2.gz IAQFTEJFJZXRCX-NEPJUHHUSA-N 1 0 295.383 2.594 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903083941 621246120 /nfs/dbraw/zinc/24/61/20/621246120.db2.gz RFPFMUMJZOSOHX-LLVKDONJSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc([N+](=O)[O-])c1 ZINC000903153843 621269113 /nfs/dbraw/zinc/26/91/13/621269113.db2.gz OQYQRCVJTLNEPN-RISCZKNCSA-N 1 0 292.335 2.947 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903151416 621273423 /nfs/dbraw/zinc/27/34/23/621273423.db2.gz DTUFJVNEBJOXNP-SOHMCZBRSA-N 1 0 294.351 2.581 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903151505 621273465 /nfs/dbraw/zinc/27/34/65/621273465.db2.gz GKZAMQHTEQIGQR-VCTAVGKDSA-N 1 0 294.351 2.558 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903196803 621281740 /nfs/dbraw/zinc/28/17/40/621281740.db2.gz RPTZDSUFGHQJKX-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903209090 621288303 /nfs/dbraw/zinc/28/83/03/621288303.db2.gz GHQPPWSHWKZSHR-COPLHBTASA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903244773 621295631 /nfs/dbraw/zinc/29/56/31/621295631.db2.gz DDUOWQSSJJNWSN-AGIUHOORSA-N 1 0 292.379 2.959 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C2CC(CCO)C2)cccc1[N+](=O)[O-] ZINC000903331717 621341653 /nfs/dbraw/zinc/34/16/53/621341653.db2.gz YQUFUNOZMQHUMV-HIFPTAJRSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000903405906 621361607 /nfs/dbraw/zinc/36/16/07/621361607.db2.gz FXQBMQRKYQJHLQ-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903411469 621365536 /nfs/dbraw/zinc/36/55/36/621365536.db2.gz OJQYNXLIWFNSBQ-ZANVPECISA-N 1 0 282.315 2.546 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@]12CC[NH2+]C2 ZINC000903865701 621453774 /nfs/dbraw/zinc/45/37/74/621453774.db2.gz FDQGNFMOWWXMPQ-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988031 621499730 /nfs/dbraw/zinc/49/97/30/621499730.db2.gz MSBCVIYAKMJYLS-YRGRVCCFSA-N 1 0 277.368 2.776 20 5 CFBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000905060890 621695844 /nfs/dbraw/zinc/69/58/44/621695844.db2.gz YCTFVFLSRSLCHG-UHFFFAOYSA-N 1 0 286.331 2.632 20 5 CFBDRO C[C@@H]([NH2+]C1(CNCC[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000905115096 621702821 /nfs/dbraw/zinc/70/28/21/621702821.db2.gz YLPOSVWNDOATMG-CQSZACIVSA-N 1 0 291.395 2.516 20 5 CFBDRO O=[N+]([O-])CCNc1ccc([NH+]2CCCCCC2)cc1 ZINC000905300013 621744816 /nfs/dbraw/zinc/74/48/16/621744816.db2.gz LHCHJCVSGZTCOF-UHFFFAOYSA-N 1 0 263.341 2.756 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000905519594 621788399 /nfs/dbraw/zinc/78/83/99/621788399.db2.gz JCWXJMZWJQAJPF-DLKVLKDVSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCC=CCC2)c1 ZINC000905623559 621800167 /nfs/dbraw/zinc/80/01/67/621800167.db2.gz JZKCWUJJLSTQEA-MRXNPFEDSA-N 1 0 290.363 2.964 20 5 CFBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000905641756 621816725 /nfs/dbraw/zinc/81/67/25/621816725.db2.gz VPCNAEPGMCYUDD-AWEZNQCLSA-N 1 0 278.352 2.654 20 5 CFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905851924 621889006 /nfs/dbraw/zinc/88/90/06/621889006.db2.gz DHQILTJENQVSNL-QJPTWQEYSA-N 1 0 293.367 2.549 20 5 CFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C ZINC000819931907 622576896 /nfs/dbraw/zinc/57/68/96/622576896.db2.gz VQUFJHWIVQGTGH-UHFFFAOYSA-N 1 0 265.357 2.681 20 5 CFBDRO Cc1c(NC(=O)C[C@@H]([NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000911956064 622596106 /nfs/dbraw/zinc/59/61/06/622596106.db2.gz JOAHICGCOCHZCL-NSHDSACASA-N 1 0 279.340 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2C3CCC2CC3)c1 ZINC000912787002 622776027 /nfs/dbraw/zinc/77/60/27/622776027.db2.gz VZBJULCWSDLOQL-UHFFFAOYSA-N 1 0 272.308 2.529 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000222763212 622968226 /nfs/dbraw/zinc/96/82/26/622968226.db2.gz RLYSBEVTQRCBDB-SDDRHHMPSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069154 623227774 /nfs/dbraw/zinc/22/77/74/623227774.db2.gz HDGGMYBWAMFNAS-YUMQZZPRSA-N 1 0 294.336 2.562 20 5 CFBDRO CC(C)[C@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)[C@H](C)[NH3+] ZINC000823070102 623227921 /nfs/dbraw/zinc/22/79/21/623227921.db2.gz ZAARDMKSHKVVPX-XVKPBYJWSA-N 1 0 296.352 2.793 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823179240 623253568 /nfs/dbraw/zinc/25/35/68/623253568.db2.gz JMEZNPBDZQRQRN-HNNXBMFYSA-N 1 0 295.358 2.506 20 5 CFBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000173388069 623346073 /nfs/dbraw/zinc/34/60/73/623346073.db2.gz IMYUSFVQJGUGGB-NWDGAFQWSA-N 1 0 266.345 2.649 20 5 CFBDRO Cc1c(C[NH2+]CCOC(F)(F)F)cccc1[N+](=O)[O-] ZINC000231885884 623374258 /nfs/dbraw/zinc/37/42/58/623374258.db2.gz UACPVPLVUFLCCE-UHFFFAOYSA-N 1 0 278.230 2.529 20 5 CFBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824608204 623531992 /nfs/dbraw/zinc/53/19/92/623531992.db2.gz DHSIYIDCHLBUKA-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635571 623536775 /nfs/dbraw/zinc/53/67/75/623536775.db2.gz IGBQLNBTBVFSOH-WCQYABFASA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824702900 623548847 /nfs/dbraw/zinc/54/88/47/623548847.db2.gz SXTGAYUJBOGOFO-VIFPVBQESA-N 1 0 286.759 2.887 20 5 CFBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CO1 ZINC000826796839 623876675 /nfs/dbraw/zinc/87/66/75/623876675.db2.gz NBXGKQKKRPFHMK-JTQLQIEISA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1Cl ZINC000827359920 623992773 /nfs/dbraw/zinc/99/27/73/623992773.db2.gz WHJPYRHOYBLROK-LBPRGKRZSA-N 1 0 298.770 2.746 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915209924 623998405 /nfs/dbraw/zinc/99/84/05/623998405.db2.gz WAIBTVQDFBKTPS-NSHDSACASA-N 1 0 276.340 2.878 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000917432300 624343446 /nfs/dbraw/zinc/34/34/46/624343446.db2.gz CDQHHAKPTHGRBR-AGIUHOORSA-N 1 0 278.356 2.649 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000918150924 624423418 /nfs/dbraw/zinc/42/34/18/624423418.db2.gz DGMRFRVFLAULDJ-ZDUSSCGKSA-N 1 0 296.392 2.801 20 5 CFBDRO CCCC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000232967870 624913915 /nfs/dbraw/zinc/91/39/15/624913915.db2.gz CHGRPJFNFTURQZ-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000233734141 624954178 /nfs/dbraw/zinc/95/41/78/624954178.db2.gz SCRWSJUNKPHRMH-CYBMUJFWSA-N 1 0 284.331 2.885 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831392874 625008252 /nfs/dbraw/zinc/00/82/52/625008252.db2.gz KODZYXYXDIZIQY-QCZZGDTMSA-N 1 0 296.342 2.883 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000831964939 625195271 /nfs/dbraw/zinc/19/52/71/625195271.db2.gz KJELSAZWIOGISR-CQSZACIVSA-N 1 0 295.358 2.650 20 5 CFBDRO CC[N@H+](CC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000069797320 625223206 /nfs/dbraw/zinc/22/32/06/625223206.db2.gz FVPLEGMGTRGBAM-UHFFFAOYSA-N 1 0 274.324 2.634 20 5 CFBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000834883144 625908663 /nfs/dbraw/zinc/90/86/63/625908663.db2.gz ZDJCKXJHNZURGN-HZMBPMFUSA-N 1 0 281.356 2.643 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000834905970 625918624 /nfs/dbraw/zinc/91/86/24/625918624.db2.gz XBRZRXTZDAUMPO-WMFXKJRFSA-N 1 0 293.367 2.641 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccccn1 ZINC000084439691 626015904 /nfs/dbraw/zinc/01/59/04/626015904.db2.gz VVRXBASLGKNNOL-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO COC(OC)[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922312644 626267130 /nfs/dbraw/zinc/26/71/30/626267130.db2.gz FOOSPPFVVSOIRJ-JATZPVMKSA-N 1 0 294.351 2.595 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000922560838 626309002 /nfs/dbraw/zinc/30/90/02/626309002.db2.gz WNXIAQKQPUVEJA-SWLSCSKDSA-N 1 0 291.395 2.900 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCO1 ZINC000922813789 626369471 /nfs/dbraw/zinc/36/94/71/626369471.db2.gz YBCQBFQPYFPRNO-CQSZACIVSA-N 1 0 264.325 2.644 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000922836010 626376528 /nfs/dbraw/zinc/37/65/28/626376528.db2.gz JZNJWHJUSIEFGL-ZYHUDNBSSA-N 1 0 296.392 2.977 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cccc(F)c1[N+](=O)[O-] ZINC000230727397 626405371 /nfs/dbraw/zinc/40/53/71/626405371.db2.gz ANALDHVPQALWKM-UHFFFAOYSA-N 1 0 269.320 2.512 20 5 CFBDRO CSC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000229360480 626410214 /nfs/dbraw/zinc/41/02/14/626410214.db2.gz ARNQPBXAKRWJMW-VIFPVBQESA-N 1 0 254.355 2.744 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000229599243 626410805 /nfs/dbraw/zinc/41/08/05/626410805.db2.gz GEFXBVAELPNQDU-CYBMUJFWSA-N 1 0 298.433 2.576 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000922892167 626413857 /nfs/dbraw/zinc/41/38/57/626413857.db2.gz NUUSATRUMMNJEH-ZBFHGGJFSA-N 1 0 290.363 2.890 20 5 CFBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000922949684 626431237 /nfs/dbraw/zinc/43/12/37/626431237.db2.gz PHWPDSDSLVQPTN-GFCCVEGCSA-N 1 0 284.331 2.742 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000839655820 626549576 /nfs/dbraw/zinc/54/95/76/626549576.db2.gz IVTFRBRSJMAVBI-JTQLQIEISA-N 1 0 282.315 2.781 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000839681125 626552136 /nfs/dbraw/zinc/55/21/36/626552136.db2.gz PRAPFYAEZMXEQL-HOCLYGCPSA-N 1 0 290.363 2.750 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919956 626701871 /nfs/dbraw/zinc/70/18/71/626701871.db2.gz AMHNYWISOYXDPC-IUODEOHRSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000764768521 627092167 /nfs/dbraw/zinc/09/21/67/627092167.db2.gz KEVHPEFIORMFNI-UONOGXRCSA-N 1 0 290.319 2.962 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000764767407 627092564 /nfs/dbraw/zinc/09/25/64/627092564.db2.gz IRXZBSXMGMNXPG-FZMZJTMJSA-N 1 0 290.319 2.880 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000765438468 627137588 /nfs/dbraw/zinc/13/75/88/627137588.db2.gz IVYSGXJMMXRNDK-NWDGAFQWSA-N 1 0 286.335 2.667 20 5 CFBDRO CO[C@H]1CC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869956 634565555 /nfs/dbraw/zinc/56/55/55/634565555.db2.gz WOJDZTGCIGPNBA-OLZOCXBDSA-N 1 0 276.336 2.520 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768770277 627370333 /nfs/dbraw/zinc/37/03/33/627370333.db2.gz HLBSRYVHICTYHN-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1cc(N2CCC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000771186358 627583281 /nfs/dbraw/zinc/58/32/81/627583281.db2.gz LDGNQYIRFYLKMD-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO C[C@@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000771458301 627605774 /nfs/dbraw/zinc/60/57/74/627605774.db2.gz GIFFXRAZRFHUGW-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000774535082 627935825 /nfs/dbraw/zinc/93/58/25/627935825.db2.gz YLFOEQRQLXDBFZ-AWEZNQCLSA-N 1 0 289.379 2.763 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000774534782 627935971 /nfs/dbraw/zinc/93/59/71/627935971.db2.gz SWMQSTQJOYLLON-DOMZBBRYSA-N 1 0 277.368 2.904 20 5 CFBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774636837 627944199 /nfs/dbraw/zinc/94/41/99/627944199.db2.gz YYMWJCJBIZWPDG-UHFFFAOYSA-N 1 0 280.715 2.650 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774904462 627978205 /nfs/dbraw/zinc/97/82/05/627978205.db2.gz SWWCZEYQPKQGPN-UWVGGRQHSA-N 1 0 279.296 2.733 20 5 CFBDRO CO[C@H]1CC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000852018527 634629205 /nfs/dbraw/zinc/62/92/05/634629205.db2.gz NYGATSRJYOYWAK-ZFWWWQNUSA-N 1 0 278.352 2.637 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776273944 628124909 /nfs/dbraw/zinc/12/49/09/628124909.db2.gz FLSFAECKGYWHPV-CQSZACIVSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776273927 628124990 /nfs/dbraw/zinc/12/49/90/628124990.db2.gz BKXIIXFUAFYXOU-OAHLLOKOSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000776582524 628161549 /nfs/dbraw/zinc/16/15/49/628161549.db2.gz VAPFYVIVXAZYCE-HZPDHXFCSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957826 628267190 /nfs/dbraw/zinc/26/71/90/628267190.db2.gz WYVRWHCICDTILS-LBPRGKRZSA-N 1 0 286.335 2.758 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000778954473 628341469 /nfs/dbraw/zinc/34/14/69/628341469.db2.gz WZOJUKLBZRPWKB-CHWSQXEVSA-N 1 0 277.368 2.600 20 5 CFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783680287 628733942 /nfs/dbraw/zinc/73/39/42/628733942.db2.gz WAIYTQDHKBHYOG-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000788489895 629074324 /nfs/dbraw/zinc/07/43/24/629074324.db2.gz TWJLXDRXTCQINW-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789557778 629166978 /nfs/dbraw/zinc/16/69/78/629166978.db2.gz MMDSMCRDZDIGGZ-ZDUSSCGKSA-N 1 0 284.743 2.595 20 5 CFBDRO C[N@H+](CCCCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789763124 629186029 /nfs/dbraw/zinc/18/60/29/629186029.db2.gz DFPUXKKLIVRXLY-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO CC[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000791052323 629283985 /nfs/dbraw/zinc/28/39/85/629283985.db2.gz MCIXOFIDELXYHK-DZGCQCFKSA-N 1 0 262.353 2.779 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000791055725 629284960 /nfs/dbraw/zinc/28/49/60/629284960.db2.gz WDVHPCGSFRROMA-GJZGRUSLSA-N 1 0 262.353 2.654 20 5 CFBDRO C[C@H]1C[C@H](C)[NH+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791566677 629334050 /nfs/dbraw/zinc/33/40/50/629334050.db2.gz COMBVLWUJSPKHG-UWVGGRQHSA-N 1 0 295.314 2.545 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000792928486 629467645 /nfs/dbraw/zinc/46/76/45/629467645.db2.gz UGWPPKJGDMIYNQ-AWEZNQCLSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000793547532 629568567 /nfs/dbraw/zinc/56/85/67/629568567.db2.gz JDYOKICENHPHSF-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000794703164 629676749 /nfs/dbraw/zinc/67/67/49/629676749.db2.gz AIFOBQXBASEJMF-GFCCVEGCSA-N 1 0 280.372 2.815 20 5 CFBDRO Cc1c[nH+]ccc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000795111609 629735409 /nfs/dbraw/zinc/73/54/09/629735409.db2.gz PZVWSMLQZIHGKI-UHFFFAOYSA-N 1 0 277.711 2.986 20 5 CFBDRO CC(C)([NH2+]CCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000795219179 629747292 /nfs/dbraw/zinc/74/72/92/629747292.db2.gz JQGPCDRORMRGPD-UHFFFAOYSA-N 1 0 277.368 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000852533700 634773435 /nfs/dbraw/zinc/77/34/35/634773435.db2.gz XJIAJNSVLYIIEM-WFASDCNBSA-N 1 0 296.342 2.700 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797416430 630062926 /nfs/dbraw/zinc/06/29/26/630062926.db2.gz HZKQURKVCKQFIF-LLVKDONJSA-N 1 0 286.335 2.800 20 5 CFBDRO CC(C)[C@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000798819640 630242702 /nfs/dbraw/zinc/24/27/02/630242702.db2.gz DHLJCVOGOZMAMC-BXUZGUMPSA-N 1 0 294.351 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852670011 634802953 /nfs/dbraw/zinc/80/29/53/634802953.db2.gz USEDYPASADVISW-PWSUYJOCSA-N 1 0 296.754 2.717 20 5 CFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523409 630453068 /nfs/dbraw/zinc/45/30/68/630453068.db2.gz GXWDANFNDUXEAG-AWEZNQCLSA-N 1 0 298.314 2.555 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804319758 630671438 /nfs/dbraw/zinc/67/14/38/630671438.db2.gz FEXGQXGIEZRCIT-UHFFFAOYSA-N 1 0 296.327 2.503 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804379114 630678173 /nfs/dbraw/zinc/67/81/73/630678173.db2.gz IJGMTHXRQKAVQY-JTQLQIEISA-N 1 0 296.327 2.645 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000804504685 630688668 /nfs/dbraw/zinc/68/86/68/630688668.db2.gz QZPVVFIRVKOFRC-PWSUYJOCSA-N 1 0 291.351 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000809425008 631224556 /nfs/dbraw/zinc/22/45/56/631224556.db2.gz PQYWIBQYWJCLEJ-UHFFFAOYSA-N 1 0 293.273 2.600 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000809688120 631263934 /nfs/dbraw/zinc/26/39/34/631263934.db2.gz BJVGHCLGYYWCNM-UHFFFAOYSA-N 1 0 260.293 2.862 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809692603 631264868 /nfs/dbraw/zinc/26/48/68/631264868.db2.gz BJDKQLQASKTDDJ-PHIMTYICSA-N 1 0 284.743 2.857 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000840977669 631292889 /nfs/dbraw/zinc/29/28/89/631292889.db2.gz IXIKXTOFWUMYML-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO [NH3+]C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000841085747 631334113 /nfs/dbraw/zinc/33/41/13/631334113.db2.gz CKDBLAZARIARRZ-AWEZNQCLSA-N 1 0 297.786 2.855 20 5 CFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]1(C)C[NH3+] ZINC000841086995 631336316 /nfs/dbraw/zinc/33/63/16/631336316.db2.gz HOHDTHDQXGQPLD-QMTHXVAHSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@H]1[C@@H](C)[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000841693683 631454156 /nfs/dbraw/zinc/45/41/56/631454156.db2.gz VGNIJACHAVJQHN-IJLUTSLNSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476148 631640761 /nfs/dbraw/zinc/64/07/61/631640761.db2.gz HWAQVJSMEPUPJU-RULNRJAQSA-N 1 0 297.786 2.724 20 5 CFBDRO COCC1(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000842890786 631775180 /nfs/dbraw/zinc/77/51/80/631775180.db2.gz MALNIMOHFOWYLM-LLVKDONJSA-N 1 0 293.367 2.644 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843044219 631811948 /nfs/dbraw/zinc/81/19/48/631811948.db2.gz ALUNQDXJXMSSHJ-IINYFYTJSA-N 1 0 297.786 2.950 20 5 CFBDRO C[C@@H](CO)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000844419438 632203037 /nfs/dbraw/zinc/20/30/37/632203037.db2.gz MLOOKZGCIPQFDX-NSHDSACASA-N 1 0 296.342 2.574 20 5 CFBDRO C[C@H]([NH2+]CCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554194 632288071 /nfs/dbraw/zinc/28/80/71/632288071.db2.gz UPSUKWISUOCEPI-JTQLQIEISA-N 1 0 275.308 2.663 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000815599040 632295492 /nfs/dbraw/zinc/29/54/92/632295492.db2.gz JHDJZOIYNUVQCI-VHSXEESVSA-N 1 0 274.324 2.917 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2F)cc1 ZINC000105908852 632435205 /nfs/dbraw/zinc/43/52/05/632435205.db2.gz YDKKNGUIHRQKSG-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO CCOC(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000105921627 632451395 /nfs/dbraw/zinc/45/13/95/632451395.db2.gz CBMGGSYZOZCPTA-NSHDSACASA-N 1 0 282.340 2.645 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000816651826 632505364 /nfs/dbraw/zinc/50/53/64/632505364.db2.gz QXPFHFZHVVPVCD-CYBMUJFWSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000817370253 632615669 /nfs/dbraw/zinc/61/56/69/632615669.db2.gz ITYWHEWKAZXPFO-CYBMUJFWSA-N 1 0 278.356 2.569 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000819186711 633005762 /nfs/dbraw/zinc/00/57/62/633005762.db2.gz WAZAVNGBWIOUHP-OAHLLOKOSA-N 1 0 290.363 2.798 20 5 CFBDRO CC(F)(F)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819337051 633090194 /nfs/dbraw/zinc/09/01/94/633090194.db2.gz MUWAIZIGVJAIHP-GFCCVEGCSA-N 1 0 288.294 2.653 20 5 CFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819347473 633099485 /nfs/dbraw/zinc/09/94/85/633099485.db2.gz BVOYNBWKFLWDSU-AEGPPILISA-N 1 0 278.352 2.510 20 5 CFBDRO CC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848474715 633263753 /nfs/dbraw/zinc/26/37/53/633263753.db2.gz FIAWNXXXUSSKDN-UHFFFAOYSA-N 1 0 286.335 2.900 20 5 CFBDRO CC1(O)CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000848531045 633279132 /nfs/dbraw/zinc/27/91/32/633279132.db2.gz JYSNKTAQOVTTAR-OFWKBQFLSA-N 1 0 290.363 2.865 20 5 CFBDRO [NH2+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CCC1 ZINC000849006366 633457297 /nfs/dbraw/zinc/45/72/97/633457297.db2.gz CXGRHQYWCYALTC-UHFFFAOYSA-N 1 0 290.367 2.584 20 5 CFBDRO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000850312418 633938665 /nfs/dbraw/zinc/93/86/65/633938665.db2.gz MEWJDBIHZVAKSO-NSHDSACASA-N 1 0 286.335 2.588 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850388572 633972275 /nfs/dbraw/zinc/97/22/75/633972275.db2.gz OCVVNSYSXDUFJG-OLZOCXBDSA-N 1 0 296.754 2.641 20 5 CFBDRO C[C@@H]([NH2+]CC1SCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850559394 634053848 /nfs/dbraw/zinc/05/38/48/634053848.db2.gz BNPAGTANWOEXIW-MRVPVSSYSA-N 1 0 299.421 2.634 20 5 CFBDRO CCC[NH2+][C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504872 634070077 /nfs/dbraw/zinc/07/00/77/634070077.db2.gz HLIXHSBVEVQAPH-SECBINFHSA-N 1 0 276.296 2.705 20 5 CFBDRO CCC(CC)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000853136058 634918314 /nfs/dbraw/zinc/91/83/14/634918314.db2.gz SHTABFZLSRXQPQ-HNNXBMFYSA-N 1 0 294.399 2.955 20 5 CFBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000115512230 636017812 /nfs/dbraw/zinc/01/78/12/636017812.db2.gz MHAHSKNSWUTBFS-OCCSQVGLSA-N 1 0 286.335 2.627 20 5 CFBDRO CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000158645349 650232673 /nfs/dbraw/zinc/23/26/73/650232673.db2.gz HLPLCSMSIYPAGE-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858257424 636168379 /nfs/dbraw/zinc/16/83/79/636168379.db2.gz LTTNSCAZEBZWAN-OLZOCXBDSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445443 636243184 /nfs/dbraw/zinc/24/31/84/636243184.db2.gz JNEQGTMAALGDSM-NEPJUHHUSA-N 1 0 293.367 2.644 20 5 CFBDRO C[C@@]1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000862366907 637337954 /nfs/dbraw/zinc/33/79/54/637337954.db2.gz OKHNOZKVMKNRTQ-AWEZNQCLSA-N 1 0 295.408 2.646 20 5 CFBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862386975 637348926 /nfs/dbraw/zinc/34/89/26/637348926.db2.gz FPUZRHNKMYEWRI-SNVBAGLBSA-N 1 0 286.759 2.841 20 5 CFBDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000865741615 638546301 /nfs/dbraw/zinc/54/63/01/638546301.db2.gz QXLYBFWWEHBMDR-BFUOFWGJSA-N 1 0 295.382 2.824 20 5 CFBDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000865741618 638546404 /nfs/dbraw/zinc/54/64/04/638546404.db2.gz QXLYBFWWEHBMDR-YJYMSZOUSA-N 1 0 295.382 2.824 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777774 638566926 /nfs/dbraw/zinc/56/69/26/638566926.db2.gz BWVKKDXOLJUMDX-CQSZACIVSA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cs1 ZINC000865785315 638572256 /nfs/dbraw/zinc/57/22/56/638572256.db2.gz RUQTXXLZQHDIOW-STQMWFEESA-N 1 0 296.392 2.809 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865860657 638621467 /nfs/dbraw/zinc/62/14/67/638621467.db2.gz WOFQHCLJMPDYMV-ZOESHWHXSA-N 1 0 288.347 2.909 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866240883 638778160 /nfs/dbraw/zinc/77/81/60/638778160.db2.gz PKOYQWHIHNEHGG-BXUZGUMPSA-N 1 0 298.358 2.662 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866247952 638779634 /nfs/dbraw/zinc/77/96/34/638779634.db2.gz HTQORKWOYUZDSY-SMDDNHRTSA-N 1 0 298.358 2.662 20 5 CFBDRO CC(C)N(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866253157 638780818 /nfs/dbraw/zinc/78/08/18/638780818.db2.gz FOZDLUSCJKYUIU-LBPRGKRZSA-N 1 0 297.374 2.595 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866254071 638781359 /nfs/dbraw/zinc/78/13/59/638781359.db2.gz KVILJUAKGNIJTM-QWRGUYRKSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000866265779 638784129 /nfs/dbraw/zinc/78/41/29/638784129.db2.gz RQVVBUIIZVSMEL-XHDPSFHLSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCF ZINC000866307079 638794048 /nfs/dbraw/zinc/79/40/48/638794048.db2.gz QESAEQHXLCIJDB-SECBINFHSA-N 1 0 258.268 2.614 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC1CCC1 ZINC000866322243 638796618 /nfs/dbraw/zinc/79/66/18/638796618.db2.gz WSTHOELFTXERGB-LLVKDONJSA-N 1 0 296.342 2.824 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345014 638800537 /nfs/dbraw/zinc/80/05/37/638800537.db2.gz FCBQXRPWZGWUOS-DCAQKATOSA-N 1 0 284.331 2.678 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866355874 638802932 /nfs/dbraw/zinc/80/29/32/638802932.db2.gz FYZWHEBBAKPZLM-YPMHNXCESA-N 1 0 298.358 2.519 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000866354795 638802940 /nfs/dbraw/zinc/80/29/40/638802940.db2.gz OBEQDVLRWWNBTH-NSHDSACASA-N 1 0 296.342 2.560 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866363563 638804432 /nfs/dbraw/zinc/80/44/32/638804432.db2.gz MNIJIYYTBBIEKN-BMIGLBTASA-N 1 0 296.342 2.680 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866368183 638806539 /nfs/dbraw/zinc/80/65/39/638806539.db2.gz XWTJYCGUXHMHDA-PSOPSSQASA-N 1 0 296.342 2.822 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374003 638808088 /nfs/dbraw/zinc/80/80/88/638808088.db2.gz ZDXVEWYPGQUXDA-VXGBXAGGSA-N 1 0 298.358 2.927 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC2 ZINC000866379553 638809537 /nfs/dbraw/zinc/80/95/37/638809537.db2.gz PVZXYXQNGOMIMC-NOZJJQNGSA-N 1 0 264.300 2.807 20 5 CFBDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866505288 638831815 /nfs/dbraw/zinc/83/18/15/638831815.db2.gz KCVYAJGLQSGARK-SNVBAGLBSA-N 1 0 281.356 2.643 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000866540203 638838690 /nfs/dbraw/zinc/83/86/90/638838690.db2.gz KYQCOUXLKAJOCJ-CQSZACIVSA-N 1 0 288.351 2.878 20 5 CFBDRO CC1(C)CC[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000866698895 638866883 /nfs/dbraw/zinc/86/68/83/638866883.db2.gz DEHPQVRUICQRLA-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@@H]([NH2+]CCCn1cccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021246 641552569 /nfs/dbraw/zinc/55/25/69/641552569.db2.gz PIXYZBQEKRUSIL-LLVKDONJSA-N 1 0 292.314 2.671 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037655 641570773 /nfs/dbraw/zinc/57/07/73/641570773.db2.gz HJURBKPODZJWHS-ZJUUUORDSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051347 641584877 /nfs/dbraw/zinc/58/48/77/641584877.db2.gz JJZBGQJIGBEBLQ-KOLCDFICSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059856 641593550 /nfs/dbraw/zinc/59/35/50/641593550.db2.gz JCOBYAWMWIRFBT-KXUCPTDWSA-N 1 0 270.304 2.544 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071147 641601899 /nfs/dbraw/zinc/60/18/99/641601899.db2.gz LALSCIXDZLLQLA-QWRGUYRKSA-N 1 0 284.331 2.649 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074161 641605486 /nfs/dbraw/zinc/60/54/86/641605486.db2.gz YDSKRWCLCSAAMS-GWCFXTLKSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+]CC1=CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074696 641605906 /nfs/dbraw/zinc/60/59/06/641605906.db2.gz GMTNAYVVPQYPRK-JTQLQIEISA-N 1 0 280.299 2.731 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074163 641606219 /nfs/dbraw/zinc/60/62/19/641606219.db2.gz YDSKRWCLCSAAMS-MFKMUULPSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074896 641606738 /nfs/dbraw/zinc/60/67/38/641606738.db2.gz JZKCNBFJQWAZSS-GHMZBOCLSA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@H]([NH2+]CCC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077034 641609534 /nfs/dbraw/zinc/60/95/34/641609534.db2.gz XTADWNNHPFTYPX-JTQLQIEISA-N 1 0 282.315 2.547 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086811 641620636 /nfs/dbraw/zinc/62/06/36/641620636.db2.gz ZRKLIINZDFEZFQ-UWVGGRQHSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089730 641623787 /nfs/dbraw/zinc/62/37/87/641623787.db2.gz CVXSCBNFUAGWAZ-CHIMOYNISA-N 1 0 294.326 2.952 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780609 641935094 /nfs/dbraw/zinc/93/50/94/641935094.db2.gz MNDANOIGBSILOG-OLZOCXBDSA-N 1 0 293.342 2.715 20 5 CFBDRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873010612 641983551 /nfs/dbraw/zinc/98/35/51/641983551.db2.gz NDYWIYCGAACQMN-UHFFFAOYSA-N 1 0 288.351 2.657 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000873020797 641987270 /nfs/dbraw/zinc/98/72/70/641987270.db2.gz AVBQVTOBYCPHJJ-ZDUSSCGKSA-N 1 0 278.352 2.728 20 5 CFBDRO COC[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873024338 641988582 /nfs/dbraw/zinc/98/85/82/641988582.db2.gz OQWTXSGFGASKEW-SNVBAGLBSA-N 1 0 266.341 2.584 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCOCC1 ZINC000873030649 641990004 /nfs/dbraw/zinc/99/00/04/641990004.db2.gz KIKPUCXVUKSMDZ-UHFFFAOYSA-N 1 0 278.352 2.728 20 5 CFBDRO CO[C@@H](C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873035309 641990840 /nfs/dbraw/zinc/99/08/40/641990840.db2.gz IOJGJJBOHROXHQ-NSHDSACASA-N 1 0 266.341 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000873046009 641994626 /nfs/dbraw/zinc/99/46/26/641994626.db2.gz NITVPACRMGGPPS-GFCCVEGCSA-N 1 0 291.395 2.784 20 5 CFBDRO COC(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873063482 641999968 /nfs/dbraw/zinc/99/99/68/641999968.db2.gz WBMZTYAUNCBVTD-UHFFFAOYSA-N 1 0 266.341 2.726 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cccc1[N+](=O)[O-] ZINC000873079269 642007278 /nfs/dbraw/zinc/00/72/78/642007278.db2.gz VENQDEVIPDYXDW-LZWOXQAQSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000873079268 642007633 /nfs/dbraw/zinc/00/76/33/642007633.db2.gz VENQDEVIPDYXDW-IIAWOOMASA-N 1 0 290.363 2.950 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000873128082 642020739 /nfs/dbraw/zinc/02/07/39/642020739.db2.gz BOFOSVJXTSTSJD-HNNXBMFYSA-N 1 0 278.352 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)C(C)C ZINC000873127098 642021300 /nfs/dbraw/zinc/02/13/00/642021300.db2.gz MFLOPJUGDPEEKJ-ZDUSSCGKSA-N 1 0 280.368 2.566 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000873138151 642028002 /nfs/dbraw/zinc/02/80/02/642028002.db2.gz OIWDPGBZDLJPST-AWEZNQCLSA-N 1 0 292.379 2.710 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cccc1[N+](=O)[O-] ZINC000873156825 642039956 /nfs/dbraw/zinc/03/99/56/642039956.db2.gz YZPJHRDGFFGYLY-IVMMDQJWSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1[N+](=O)[O-] ZINC000873157446 642040844 /nfs/dbraw/zinc/04/08/44/642040844.db2.gz YSYISEMZHFBAGY-IJEWVQPXSA-N 1 0 290.363 2.950 20 5 CFBDRO CC(C)C[N@H+](Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000124539157 642214661 /nfs/dbraw/zinc/21/46/61/642214661.db2.gz GBHFYBNSWIITAT-UHFFFAOYSA-N 1 0 268.361 2.753 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]([NH+](C)C)C1 ZINC000876678473 642969399 /nfs/dbraw/zinc/96/93/99/642969399.db2.gz GDDZLBROVHMUNY-AWEZNQCLSA-N 1 0 291.395 2.738 20 5 CFBDRO COC[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726014 642984807 /nfs/dbraw/zinc/98/48/07/642984807.db2.gz SVKJQSZQNBTXQQ-ZDUSSCGKSA-N 1 0 278.352 2.680 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCCCC3)C2)c1 ZINC000876887155 643052576 /nfs/dbraw/zinc/05/25/76/643052576.db2.gz MDJIMOVLCWUKAJ-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876985166 643092830 /nfs/dbraw/zinc/09/28/30/643092830.db2.gz VJIXFVUKYYRRMC-OKZRHMCRSA-N 1 0 292.383 2.909 20 5 CFBDRO CSCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877055701 643123962 /nfs/dbraw/zinc/12/39/62/643123962.db2.gz OBZQKBOJLZZTRU-VIFPVBQESA-N 1 0 295.364 2.967 20 5 CFBDRO CC(C)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877076351 643138670 /nfs/dbraw/zinc/13/86/70/643138670.db2.gz LMWFOFVWKJNTPO-UHFFFAOYSA-N 1 0 278.356 2.521 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CCO2)CC1 ZINC000877501854 643312374 /nfs/dbraw/zinc/31/23/74/643312374.db2.gz WHVCMXMKCHPGRO-UHFFFAOYSA-N 1 0 290.363 2.967 20 5 CFBDRO Cc1c(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000877530707 643334076 /nfs/dbraw/zinc/33/40/76/643334076.db2.gz GDNMGPINBGDDIB-SWLSCSKDSA-N 1 0 291.395 2.675 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCC34CC4)C2)c1 ZINC000877661260 643439795 /nfs/dbraw/zinc/43/97/95/643439795.db2.gz ZGIAETJFDSDRKK-HIFPTAJRSA-N 1 0 290.367 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000877738960 643502689 /nfs/dbraw/zinc/50/26/89/643502689.db2.gz QTZXREBBEPHCIE-ZIAGYGMSSA-N 1 0 292.404 2.822 20 5 CFBDRO Cc1c(C[NH+]2CCC(C(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000877751537 643526841 /nfs/dbraw/zinc/52/68/41/643526841.db2.gz DDKQIPBGEWCWIO-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877836022 643603900 /nfs/dbraw/zinc/60/39/00/643603900.db2.gz LEMOXPSOXVNXBT-LLVKDONJSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[C@@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000878362212 643859799 /nfs/dbraw/zinc/85/97/99/643859799.db2.gz PHKYLMVHJCLBKO-OAHLLOKOSA-N 1 0 288.351 2.743 20 5 CFBDRO C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000246912016 650888601 /nfs/dbraw/zinc/88/86/01/650888601.db2.gz NUKRYMJFYIYMQJ-QWRGUYRKSA-N 1 0 274.324 2.632 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247186997 650899748 /nfs/dbraw/zinc/89/97/48/650899748.db2.gz SJYOHVZHORUDHY-WDEREUQCSA-N 1 0 280.372 2.876 20 5 CFBDRO Cc1c(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000880132062 644543989 /nfs/dbraw/zinc/54/39/89/644543989.db2.gz MZRYENAEDFGYHO-JKSUJKDBSA-N 1 0 289.379 2.572 20 5 CFBDRO COCC1(N(C)Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000880186833 644569255 /nfs/dbraw/zinc/56/92/55/644569255.db2.gz RIUDFWJZMZMXSL-UHFFFAOYSA-N 1 0 270.354 2.657 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CF)C1 ZINC000880291164 644630808 /nfs/dbraw/zinc/63/08/08/644630808.db2.gz CIJTUSNROXOOAN-GHMZBOCLSA-N 1 0 252.289 2.947 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CF)C1 ZINC000880294043 644633242 /nfs/dbraw/zinc/63/32/42/644633242.db2.gz QTLBPSAFZXAEPP-QWRGUYRKSA-N 1 0 252.289 2.947 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880299399 644639628 /nfs/dbraw/zinc/63/96/28/644639628.db2.gz SERHGOVIPOLRMS-GFCCVEGCSA-N 1 0 282.315 2.785 20 5 CFBDRO CC(=O)c1c(N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881859077 645142045 /nfs/dbraw/zinc/14/20/45/645142045.db2.gz XHAJZGIZKBICGJ-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882082960 645194633 /nfs/dbraw/zinc/19/46/33/645194633.db2.gz VMHOAFYLGFAYQQ-NSHDSACASA-N 1 0 296.346 2.519 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882082959 645195019 /nfs/dbraw/zinc/19/50/19/645195019.db2.gz VMHOAFYLGFAYQQ-LLVKDONJSA-N 1 0 296.346 2.519 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000251518350 650989681 /nfs/dbraw/zinc/98/96/81/650989681.db2.gz KHAALJMZCKDURM-DDTOSNHZSA-N 1 0 264.325 2.813 20 5 CFBDRO CSCC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130186749 645468320 /nfs/dbraw/zinc/46/83/20/645468320.db2.gz DOLXRAZPRXKVSD-LLVKDONJSA-N 1 0 268.382 2.869 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCC2)CC1 ZINC000882963232 645531693 /nfs/dbraw/zinc/53/16/93/645531693.db2.gz SATYMJGQQOXQKC-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000882964503 645532981 /nfs/dbraw/zinc/53/29/81/645532981.db2.gz GITXLGNUBWBRNY-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000097603001 651036316 /nfs/dbraw/zinc/03/63/16/651036316.db2.gz FAVYMOKPUVIOLV-KYOSRNDESA-N 1 0 278.352 2.797 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000883354647 645759199 /nfs/dbraw/zinc/75/91/99/645759199.db2.gz ADQRNZDPZQMHTO-ZBFHGGJFSA-N 1 0 289.379 2.656 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000883355707 645761024 /nfs/dbraw/zinc/76/10/24/645761024.db2.gz WPDFZYGOUYFAJD-DZGCQCFKSA-N 1 0 291.395 2.600 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000883359439 645766144 /nfs/dbraw/zinc/76/61/44/645766144.db2.gz GTGMZZZXBFOTJM-RCBBPTIPSA-N 1 0 289.379 2.682 20 5 CFBDRO Cc1sc(C(=O)OCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000800128616 646149328 /nfs/dbraw/zinc/14/93/28/646149328.db2.gz LESAKTREYCHWLI-UHFFFAOYSA-N 1 0 298.364 2.607 20 5 CFBDRO CC(C)[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134757316 646383359 /nfs/dbraw/zinc/38/33/59/646383359.db2.gz YVKSTJQTTUCINE-RISCZKNCSA-N 1 0 266.341 2.510 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886133874 646888891 /nfs/dbraw/zinc/88/88/91/646888891.db2.gz CZUNODJYDGRYPA-LLVKDONJSA-N 1 0 263.341 2.858 20 5 CFBDRO Cc1ccc2c(c1)CCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886166802 646904155 /nfs/dbraw/zinc/90/41/55/646904155.db2.gz SGWRLJWEMKFXQH-UHFFFAOYSA-N 1 0 283.331 2.857 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000886221246 646927840 /nfs/dbraw/zinc/92/78/40/646927840.db2.gz WDCWTNHCDZQMBO-WHOFXGATSA-N 1 0 276.336 2.672 20 5 CFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229549 646930517 /nfs/dbraw/zinc/93/05/17/646930517.db2.gz RNZREMKCNLIIKU-CHWSQXEVSA-N 1 0 293.367 2.672 20 5 CFBDRO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000886296870 646957524 /nfs/dbraw/zinc/95/75/24/646957524.db2.gz CKKPWKNHIMTHCP-AOOOYVTPSA-N 1 0 285.294 2.713 20 5 CFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886302805 646960001 /nfs/dbraw/zinc/96/00/01/646960001.db2.gz WVSYVMSWOSIFDA-JSGCOSHPSA-N 1 0 261.325 2.754 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886972495 647185530 /nfs/dbraw/zinc/18/55/30/647185530.db2.gz HRVASDCQYGBJLW-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO C[N@H+](CCCF)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000887137577 647226066 /nfs/dbraw/zinc/22/60/66/647226066.db2.gz MTTYTCJWKMAVEL-UHFFFAOYSA-N 1 0 270.304 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925310690 648154947 /nfs/dbraw/zinc/15/49/47/648154947.db2.gz OQKYUBXYTXSCGK-ZBFHGGJFSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@H]1[NH2+]CCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630112 648249675 /nfs/dbraw/zinc/24/96/75/648249675.db2.gz QYEAFGTWERAORU-MFKMUULPSA-N 1 0 297.786 2.521 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccnnc1)c1ccc([N+](=O)[O-])cc1 ZINC000926493022 648508427 /nfs/dbraw/zinc/50/84/27/648508427.db2.gz MPWMFNBRDXJWSS-QWRGUYRKSA-N 1 0 272.308 2.797 20 5 CFBDRO CC[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926494006 648508727 /nfs/dbraw/zinc/50/87/27/648508727.db2.gz XRPWNZMTOPWIJX-MJVIPROJSA-N 1 0 264.325 2.670 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927023502 648687048 /nfs/dbraw/zinc/68/70/48/648687048.db2.gz UIYKIDKDWAFGFR-GHMZBOCLSA-N 1 0 284.331 2.936 20 5 CFBDRO CCOc1ccc(C[N@H+](CC[N+](=O)[O-])C(C)C)cc1 ZINC000929394058 649044201 /nfs/dbraw/zinc/04/42/01/649044201.db2.gz PSVXJYQSMDZGTN-UHFFFAOYSA-N 1 0 266.341 2.572 20 5 CFBDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929723586 649107128 /nfs/dbraw/zinc/10/71/28/649107128.db2.gz LPSOVKUQKVIZFU-CABCVRRESA-N 1 0 262.353 2.840 20 5 CFBDRO C[N@H+](CCc1ccns1)CCc1cccc([N+](=O)[O-])c1 ZINC000930352633 649236565 /nfs/dbraw/zinc/23/65/65/649236565.db2.gz BECICWPBZOWBGF-UHFFFAOYSA-N 1 0 291.376 2.768 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931042448 649369438 /nfs/dbraw/zinc/36/94/38/649369438.db2.gz LSWUTHFWPAVKOT-ZENOOKHLSA-N 1 0 291.395 2.989 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931512900 649444898 /nfs/dbraw/zinc/44/48/98/649444898.db2.gz UBPLFZJYLNYDOQ-NSHDSACASA-N 1 0 298.346 2.691 20 5 CFBDRO Cc1noc(CN2CCSC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000931592783 649459173 /nfs/dbraw/zinc/45/91/73/649459173.db2.gz QRLIKOKMMLIXPL-LLVKDONJSA-N 1 0 299.396 2.855 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931728642 649481113 /nfs/dbraw/zinc/48/11/13/649481113.db2.gz XSJIQPNDZHUMEI-XPKDYRNWSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCO[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000932334214 649578785 /nfs/dbraw/zinc/57/87/85/649578785.db2.gz AHSXMLPVKKSYSP-GFCCVEGCSA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000932557333 649618781 /nfs/dbraw/zinc/61/87/81/649618781.db2.gz OXZUBIZUZZMVQB-LLVKDONJSA-N 1 0 292.314 2.590 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000934234095 649765070 /nfs/dbraw/zinc/76/50/70/649765070.db2.gz JHVMKSWAKIZOOS-JTQLQIEISA-N 1 0 277.349 2.772 20 5 CFBDRO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934620656 649805685 /nfs/dbraw/zinc/80/56/85/649805685.db2.gz DWAGBENQJBHSCW-DFBGVHRSSA-N 1 0 276.336 2.573 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000934670802 649814211 /nfs/dbraw/zinc/81/42/11/649814211.db2.gz RYCODLTXNHFREC-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c(Cl)cn1 ZINC001229224775 776758739 /nfs/dbraw/zinc/75/87/39/776758739.db2.gz VYZUMUVPSHBIST-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2CC=CC2)cc1 ZINC000724203845 770813631 /nfs/dbraw/zinc/81/36/31/770813631.db2.gz XSTKGYDUPNUPQP-OAHLLOKOSA-N 1 0 276.336 2.574 20 5 CFBDRO Cc1cnc(CO[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC001224185741 775122656 /nfs/dbraw/zinc/12/26/56/775122656.db2.gz NIIFTVDHSBKNHN-ZDUSSCGKSA-N 1 0 293.367 2.606 20 5 CFBDRO CC[NH+]1CCC(OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224331658 775159126 /nfs/dbraw/zinc/15/91/26/775159126.db2.gz RACTVJFFSAPFLT-UHFFFAOYSA-N 1 0 278.352 2.638 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCCc1ccc([N+](=O)[O-])cc1)C2 ZINC001224331827 775159766 /nfs/dbraw/zinc/15/97/66/775159766.db2.gz SPKFCPMDWFQRCJ-MUJYYYPQSA-N 1 0 290.363 2.779 20 5 CFBDRO COc1ccccc1OC[C@H](C)OCCC[N+](C)(C)C ZINC001224623667 775229176 /nfs/dbraw/zinc/22/91/76/775229176.db2.gz PJQZKASZPBMZAU-AWEZNQCLSA-N 1 0 282.404 2.575 20 5 CFBDRO C[N+](C)(C)CCCO[C@@H](C(=O)c1ccco1)c1ccco1 ZINC001224621977 775229749 /nfs/dbraw/zinc/22/97/49/775229749.db2.gz DTYDENPAQKLKHS-MRXNPFEDSA-N 1 0 292.355 2.910 20 5 CFBDRO C[N+](C)(C)CCCO[C@H]1CCOc2ccccc21 ZINC001224624095 775229943 /nfs/dbraw/zinc/22/99/43/775229943.db2.gz USKIFCPDYUEYRB-HNNXBMFYSA-N 1 0 250.362 2.623 20 5 CFBDRO C[C@H](COCCC[N+](C)(C)C)OCc1ccccc1 ZINC001224624591 775231163 /nfs/dbraw/zinc/23/11/63/775231163.db2.gz XZDMCSWPJTZLEW-OAHLLOKOSA-N 1 0 266.405 2.705 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001224777521 775270931 /nfs/dbraw/zinc/27/09/31/775270931.db2.gz YXAGOMXCWMVSDW-CYBMUJFWSA-N 1 0 296.367 2.721 20 5 CFBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1Cl ZINC001217970871 775407487 /nfs/dbraw/zinc/40/74/87/775407487.db2.gz COZRKBIUFDPHAB-KWQFWETISA-N 1 0 288.706 2.717 20 5 CFBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001217969197 775407708 /nfs/dbraw/zinc/40/77/08/775407708.db2.gz XXTPGAADFMJCKV-HQJQHLMTSA-N 1 0 290.241 2.600 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225382541 775436654 /nfs/dbraw/zinc/43/66/54/775436654.db2.gz PSILDBYLTVMUSK-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225431236 775454173 /nfs/dbraw/zinc/45/41/73/775454173.db2.gz NXTHBQCQRHSFAV-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2ccc(OC3C[NH2+]C3)cc2)c1 ZINC001218052118 775460768 /nfs/dbraw/zinc/46/07/68/775460768.db2.gz DVBONZHKEXRLCC-UHFFFAOYSA-N 1 0 270.288 2.612 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225574458 775506425 /nfs/dbraw/zinc/50/64/25/775506425.db2.gz CABXNHUYQLYITF-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001225913579 775632322 /nfs/dbraw/zinc/63/23/22/775632322.db2.gz WGTTZVXXUVUFQH-PEGIJTEDSA-N 1 0 280.299 2.738 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942620 775642463 /nfs/dbraw/zinc/64/24/63/775642463.db2.gz RRZAQKXMUPPQQB-LBPRGKRZSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(=O)c1ccc(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001225949147 775644773 /nfs/dbraw/zinc/64/47/73/775644773.db2.gz MXWNAAXKHVDIOV-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006243 775664688 /nfs/dbraw/zinc/66/46/88/775664688.db2.gz AUBGUTGFCCZKLX-SNVBAGLBSA-N 1 0 268.288 2.595 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257470 775759003 /nfs/dbraw/zinc/75/90/03/775759003.db2.gz FLUNNTMOQRITJD-JTQLQIEISA-N 1 0 285.731 2.506 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC001226290972 775768867 /nfs/dbraw/zinc/76/88/67/775768867.db2.gz AYHLKSSIAMVSAV-UHFFFAOYSA-N 1 0 292.335 2.661 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226365113 775791603 /nfs/dbraw/zinc/79/16/03/775791603.db2.gz YPXHMJUJOHPJDV-JTQLQIEISA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc([N+](=O)[O-])c1 ZINC001226763718 775953135 /nfs/dbraw/zinc/95/31/35/775953135.db2.gz AETVTPXJGIUFNP-JJLQDPRZSA-N 1 0 276.336 2.704 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001226764543 775954541 /nfs/dbraw/zinc/95/45/41/775954541.db2.gz KHCFCCQMWFAGGP-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226809683 775973613 /nfs/dbraw/zinc/97/36/13/775973613.db2.gz GMNZIVZWKXKBSR-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226908056 776011929 /nfs/dbraw/zinc/01/19/29/776011929.db2.gz BIPKYYVZWFKRJK-QMMMGPOBSA-N 1 0 291.730 2.861 20 5 CFBDRO CC(C)c1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001227020395 776063399 /nfs/dbraw/zinc/06/33/99/776063399.db2.gz SLUUJYRLLUDZJN-GFCCVEGCSA-O 1 0 252.378 2.989 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001227184370 776127168 /nfs/dbraw/zinc/12/71/68/776127168.db2.gz DSSWEDKLJVROQD-PTEHBNRSSA-N 1 0 292.335 2.607 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233712 776148554 /nfs/dbraw/zinc/14/85/54/776148554.db2.gz FLAJTGQSERSNLB-LLVKDONJSA-N 1 0 291.307 2.598 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227480474 776212343 /nfs/dbraw/zinc/21/23/43/776212343.db2.gz NYCDIUHESRYFTN-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC001227521703 776219016 /nfs/dbraw/zinc/21/90/16/776219016.db2.gz USGBXMCAHNMRMV-NSHDSACASA-N 1 0 252.314 2.704 20 5 CFBDRO CC[C@@H](C)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227762131 776285432 /nfs/dbraw/zinc/28/54/32/776285432.db2.gz YZNGNVIRJUAKQH-ZIAGYGMSSA-N 1 0 294.415 2.563 20 5 CFBDRO CCOc1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)c1F ZINC001227880392 776315579 /nfs/dbraw/zinc/31/55/79/776315579.db2.gz XDLDDAIRKXTTRA-JTQLQIEISA-N 1 0 274.331 2.837 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228000821 776356588 /nfs/dbraw/zinc/35/65/88/776356588.db2.gz PUPZESYFGQJHEP-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228014009 776363015 /nfs/dbraw/zinc/36/30/15/776363015.db2.gz CTOLUJIXHZGKEJ-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO CCOCc1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228169083 776414879 /nfs/dbraw/zinc/41/48/79/776414879.db2.gz BZBMMXFPWYFNTK-CYBMUJFWSA-N 1 0 282.404 2.705 20 5 CFBDRO CCCOc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001228179363 776416501 /nfs/dbraw/zinc/41/65/01/776416501.db2.gz MGDADSJPDYIIQG-CYBMUJFWSA-N 1 0 252.378 2.949 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001228213316 776423380 /nfs/dbraw/zinc/42/33/80/776423380.db2.gz WIDFZPQEPDDVQI-VIFPVBQESA-N 1 0 296.372 2.678 20 5 CFBDRO Cc1cc(C)c(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001228229186 776427589 /nfs/dbraw/zinc/42/75/89/776427589.db2.gz FNLDGAJRTGJCBH-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256468 776435898 /nfs/dbraw/zinc/43/58/98/776435898.db2.gz XHXAFJNIBNFQBO-LLVKDONJSA-N 1 0 270.716 2.721 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001228609763 776538863 /nfs/dbraw/zinc/53/88/63/776538863.db2.gz IDWHHEKXQGROBI-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(O)c1Br ZINC001229142245 776732571 /nfs/dbraw/zinc/73/25/71/776732571.db2.gz NELDQAYOEKDZOY-VIFPVBQESA-O 1 0 289.193 2.628 20 5 CFBDRO CSc1nc2c(c(O[C@@H](C)C[N+](C)(C)C)n1)CCCC2 ZINC001229160328 776735954 /nfs/dbraw/zinc/73/59/54/776735954.db2.gz CEOJFATXPGPIET-NSHDSACASA-N 1 0 296.460 2.551 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccccc2n1C1CC1 ZINC001229167384 776740023 /nfs/dbraw/zinc/74/00/23/776740023.db2.gz PQGQTTHFHPGKJH-LBPRGKRZSA-N 1 0 274.388 2.845 20 5 CFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](CC)C1 ZINC001229176650 776743573 /nfs/dbraw/zinc/74/35/73/776743573.db2.gz AUWNGDBARYIYHL-LBPRGKRZSA-N 1 0 292.335 2.661 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229198790 776749254 /nfs/dbraw/zinc/74/92/54/776749254.db2.gz QEXSYHJUMFNOAZ-LLVKDONJSA-N 1 0 268.288 2.515 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001229197059 776749740 /nfs/dbraw/zinc/74/97/40/776749740.db2.gz ADEWQOUPNXEECI-LBPRGKRZSA-N 1 0 282.315 2.905 20 5 CFBDRO O=[N+]([O-])c1cc2cccnc2c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001229343762 776785506 /nfs/dbraw/zinc/78/55/06/776785506.db2.gz GRTHFCWWNUZPFF-HNNXBMFYSA-N 1 0 299.330 2.616 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000402069329 776829356 /nfs/dbraw/zinc/82/93/56/776829356.db2.gz YKQZPMZOJPNVAL-LDYMZIIASA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC001229896089 776914146 /nfs/dbraw/zinc/91/41/46/776914146.db2.gz YYVNXPVXSCWOAZ-NSHDSACASA-N 1 0 282.315 2.904 20 5 CFBDRO CN1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230040927 776947892 /nfs/dbraw/zinc/94/78/92/776947892.db2.gz PRATXWNEGYEBOW-SSDOTTSWSA-N 1 0 291.134 2.985 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C2 ZINC001230872435 777078722 /nfs/dbraw/zinc/07/87/22/777078722.db2.gz NHTRZJREUMHPGJ-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230880180 777080452 /nfs/dbraw/zinc/08/04/52/777080452.db2.gz ZDVSUBXWYZIBOB-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]nc(Cl)c2c1 ZINC001231128025 777150123 /nfs/dbraw/zinc/15/01/23/777150123.db2.gz QHUVWSRKXKGDKK-SECBINFHSA-N 1 0 268.768 2.690 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2cccc(F)c2c1 ZINC001231136149 777152588 /nfs/dbraw/zinc/15/25/88/777152588.db2.gz WCOWRJKJODWPHD-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)oc2ccc(Cl)cc12 ZINC001231177018 777166077 /nfs/dbraw/zinc/16/60/77/777166077.db2.gz KUHLZNGHAQZWJC-JTQLQIEISA-N 1 0 296.774 2.920 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c[nH]nc2cc1Cl ZINC001227784625 777902051 /nfs/dbraw/zinc/90/20/51/777902051.db2.gz BNPRCFQUFXZDNM-VIFPVBQESA-N 1 0 268.768 2.690 20 5 CFBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001233558089 777990337 /nfs/dbraw/zinc/99/03/37/777990337.db2.gz YPRRSIQJOQZUQW-GFCCVEGCSA-N 1 0 279.340 2.550 20 5 CFBDRO C=Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001233571776 777996351 /nfs/dbraw/zinc/99/63/51/777996351.db2.gz YQWGYMJDUWUUJW-LBPRGKRZSA-N 1 0 250.362 2.812 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698303 778044593 /nfs/dbraw/zinc/04/45/93/778044593.db2.gz ITEWHKBDJHAFKE-JTQLQIEISA-N 1 0 286.278 2.735 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(OC(F)F)c1 ZINC001233968875 778127332 /nfs/dbraw/zinc/12/73/32/778127332.db2.gz GTCWTJVHNCHKOG-SNVBAGLBSA-N 1 0 260.304 2.762 20 5 CFBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)ccc1Cl ZINC001233969165 778127389 /nfs/dbraw/zinc/12/73/89/778127389.db2.gz BFUKVRPCHKKZHC-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO CCOC(=N)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001234589061 778259229 /nfs/dbraw/zinc/25/92/29/778259229.db2.gz WFXZHHKFPJUJLD-LBPRGKRZSA-N 1 0 265.377 2.522 20 5 CFBDRO CC[N@@H+]1CC[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027727 778398843 /nfs/dbraw/zinc/39/88/43/778398843.db2.gz XBBKBOJZZZXOPJ-SMDDNHRTSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1ccc(OC[C@@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224624116 778604433 /nfs/dbraw/zinc/60/44/33/778604433.db2.gz UVXFEGRMGBGQLN-OAHLLOKOSA-N 1 0 266.405 2.875 20 5 CFBDRO O=[N+]([O-])c1cc(F)cc(F)c1OC1CC[NH+](C2CC2)CC1 ZINC001233698088 779072706 /nfs/dbraw/zinc/07/27/06/779072706.db2.gz GXHLGNZDSYEXSF-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000691116685 779262236 /nfs/dbraw/zinc/26/22/36/779262236.db2.gz IYNREXAZSCJVFC-UHFFFAOYSA-N 1 0 284.331 2.574 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000699505325 779283610 /nfs/dbraw/zinc/28/36/10/779283610.db2.gz CPGCTIDDLWRSOR-SCRDCRAPSA-N 1 0 278.352 2.979 20 5 CFBDRO COC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000721917327 779961419 /nfs/dbraw/zinc/96/14/19/779961419.db2.gz WPMBMBXYKYTOGD-ZDUSSCGKSA-N 1 0 266.341 2.603 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)ccc1Cl ZINC000700636531 780711513 /nfs/dbraw/zinc/71/15/13/780711513.db2.gz WRCBAMHLMFVOPG-RYUDHWBXSA-N 1 0 296.754 2.717 20 5 CFBDRO CC(C)CC1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000701490326 780808854 /nfs/dbraw/zinc/80/88/54/780808854.db2.gz ZPCOHBIIAYSYKJ-CQSZACIVSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000702340679 780916556 /nfs/dbraw/zinc/91/65/56/780916556.db2.gz ZBYUOEGYTFVZMV-SECBINFHSA-N 1 0 254.717 2.844 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1NCCC1CC[NH2+]CC1 ZINC000703977671 781085535 /nfs/dbraw/zinc/08/55/35/781085535.db2.gz XTOWVKLWZRMSGY-UHFFFAOYSA-N 1 0 267.304 2.536 20 5 CFBDRO CN(CC[NH3+])c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001163687924 781547189 /nfs/dbraw/zinc/54/71/89/781547189.db2.gz CFDKIYZOMWKZLN-UHFFFAOYSA-N 1 0 286.766 2.831 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000594512012 349436659 /nfs/dbraw/zinc/43/66/59/349436659.db2.gz SHCQDADXYCIOJB-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1(CO)CCC1 ZINC000594507450 349434070 /nfs/dbraw/zinc/43/40/70/349434070.db2.gz NNOVEOWEDAUYAW-AWEZNQCLSA-N 1 0 290.363 2.724 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594518179 349440349 /nfs/dbraw/zinc/44/03/49/349440349.db2.gz MXDRHBCTVDSPGY-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594614381 349464299 /nfs/dbraw/zinc/46/42/99/349464299.db2.gz GKPVKXLNIGUZGG-FSBNRTBOSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)n1ccnc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000594938056 349519400 /nfs/dbraw/zinc/51/94/00/349519400.db2.gz PXWYLNQEKKVGHC-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273056619 192032328 /nfs/dbraw/zinc/03/23/28/192032328.db2.gz LNMIWJQATQZFGL-CABCVRRESA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000273066742 192035265 /nfs/dbraw/zinc/03/52/65/192035265.db2.gz YZJKZGBOCDQZQS-LLVKDONJSA-N 1 0 261.325 2.657 20 5 CFBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000594956897 349528058 /nfs/dbraw/zinc/52/80/58/349528058.db2.gz XCCWXKBJEYECEL-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000594983561 349539112 /nfs/dbraw/zinc/53/91/12/349539112.db2.gz FKIHJHVPYCFTLO-ONGXEEELSA-N 1 0 270.354 2.704 20 5 CFBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000594984555 349539194 /nfs/dbraw/zinc/53/91/94/349539194.db2.gz JELVYZFPZITFIP-BXUZGUMPSA-N 1 0 264.325 2.642 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCSC ZINC000595006936 349546387 /nfs/dbraw/zinc/54/63/87/349546387.db2.gz MZNBRKHTWLJZIH-VIFPVBQESA-N 1 0 270.354 2.617 20 5 CFBDRO C[C@@H](O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595007019 349546498 /nfs/dbraw/zinc/54/64/98/349546498.db2.gz OJGWLVBCSSYPPY-WBMJQRKESA-N 1 0 286.331 2.807 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010343 349548270 /nfs/dbraw/zinc/54/82/70/349548270.db2.gz VZLDBVLJVOZIEH-QWRGUYRKSA-N 1 0 282.340 2.537 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012510 349549458 /nfs/dbraw/zinc/54/94/58/349549458.db2.gz PIKADVQREKUVKL-LLVKDONJSA-N 1 0 282.340 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000595036162 349558388 /nfs/dbraw/zinc/55/83/88/349558388.db2.gz PZRXKHMJLIWTJT-NQBHXWOUSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOC(C)C ZINC000595034526 349558397 /nfs/dbraw/zinc/55/83/97/349558397.db2.gz WZEHKSAFIFVQOO-NSHDSACASA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000595018965 349552328 /nfs/dbraw/zinc/55/23/28/349552328.db2.gz VADVYTFTLVLGCC-NWDGAFQWSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024681 349554136 /nfs/dbraw/zinc/55/41/36/349554136.db2.gz CJBFCONBQOKUMW-DGCLKSJQSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOC(C)C ZINC000595034525 349558104 /nfs/dbraw/zinc/55/81/04/349558104.db2.gz WZEHKSAFIFVQOO-LLVKDONJSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1ccc(C[NH2+]CCCc2ccco2)cc1[N+](=O)[O-] ZINC000594996349 349542279 /nfs/dbraw/zinc/54/22/79/349542279.db2.gz AZKMPAMKSCLUIZ-UHFFFAOYSA-N 1 0 290.319 2.919 20 5 CFBDRO CO[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000594995699 349542370 /nfs/dbraw/zinc/54/23/70/349542370.db2.gz TYKJAJGENCZCBW-GFCCVEGCSA-N 1 0 284.381 2.951 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595069694 349573313 /nfs/dbraw/zinc/57/33/13/349573313.db2.gz QPBAPHLNDWZWLL-SKDRFNHKSA-N 1 0 286.278 2.670 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000595056895 349568711 /nfs/dbraw/zinc/56/87/11/349568711.db2.gz SCTNPGWUZFVHQG-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO COC[C@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000595059733 349570132 /nfs/dbraw/zinc/57/01/32/349570132.db2.gz HXSKRHFRXKGRKC-OCCSQVGLSA-N 1 0 296.367 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000595066239 349572220 /nfs/dbraw/zinc/57/22/20/349572220.db2.gz GVNKAUNHDJEXKA-RYUDHWBXSA-N 1 0 278.352 2.715 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000595039545 349560303 /nfs/dbraw/zinc/56/03/03/349560303.db2.gz GQRYVTPGHPKBQY-DCAQKATOSA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](C)CCO ZINC000595040227 349560723 /nfs/dbraw/zinc/56/07/23/349560723.db2.gz DXHYMNYQGUUTHK-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595088432 349577290 /nfs/dbraw/zinc/57/72/90/349577290.db2.gz BYTIZQRMPMWMLY-NILFDRSVSA-N 1 0 290.363 2.857 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2=CCCC2)n1 ZINC000595096372 349580500 /nfs/dbraw/zinc/58/05/00/349580500.db2.gz KQTDCPXPBNMUKU-KBPBESRZSA-N 1 0 290.367 2.975 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595106124 349583073 /nfs/dbraw/zinc/58/30/73/349583073.db2.gz IXQHHBBFVXCHKJ-GDLCADMTSA-N 1 0 264.325 2.731 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595071371 349574062 /nfs/dbraw/zinc/57/40/62/349574062.db2.gz YACBBPTZQZRWEX-MJVIPROJSA-N 1 0 276.336 2.739 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595336551 349604765 /nfs/dbraw/zinc/60/47/65/349604765.db2.gz ZSZATROKOHKVHG-RKDXNWHRSA-N 1 0 253.302 2.512 20 5 CFBDRO CCC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595339901 349604985 /nfs/dbraw/zinc/60/49/85/349604985.db2.gz RBDCHPTZUFIEAI-NSHDSACASA-N 1 0 267.329 2.903 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595403792 349616998 /nfs/dbraw/zinc/61/69/98/349616998.db2.gz IJEUAHROGLFCOF-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409586 349617912 /nfs/dbraw/zinc/61/79/12/349617912.db2.gz XSQMYDFRJVCFHX-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000595428112 349623607 /nfs/dbraw/zinc/62/36/07/349623607.db2.gz LZRLGAZEIDJTPB-DOMZBBRYSA-N 1 0 296.342 2.717 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC000068658680 346863001 /nfs/dbraw/zinc/86/30/01/346863001.db2.gz DTWMPGSTRHWDNR-JTQLQIEISA-N 1 0 281.337 2.964 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595441949 349627525 /nfs/dbraw/zinc/62/75/25/349627525.db2.gz OBRGGMRFKWJPGG-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000595450849 349630673 /nfs/dbraw/zinc/63/06/73/349630673.db2.gz DQDKCJNPPYPGDK-SNVBAGLBSA-N 1 0 253.302 2.560 20 5 CFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595454962 349631391 /nfs/dbraw/zinc/63/13/91/349631391.db2.gz PLKHSVVDPGKZKV-NWDGAFQWSA-N 1 0 297.355 2.575 20 5 CFBDRO CO[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C ZINC000595458057 349632527 /nfs/dbraw/zinc/63/25/27/349632527.db2.gz HVNHAIVTQGTOTI-QMTHXVAHSA-N 1 0 282.315 2.591 20 5 CFBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595462498 349634609 /nfs/dbraw/zinc/63/46/09/349634609.db2.gz VTWCLBCFSDFIGY-CQSZACIVSA-N 1 0 297.355 2.672 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595463816 349634919 /nfs/dbraw/zinc/63/49/19/349634919.db2.gz AIEJUPGWBGCWLU-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO C[C@@H](CO)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCC1 ZINC000595467932 349635949 /nfs/dbraw/zinc/63/59/49/349635949.db2.gz VGXUTTFACVGOBL-NSHDSACASA-N 1 0 296.342 2.717 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595470125 349636674 /nfs/dbraw/zinc/63/66/74/349636674.db2.gz MSMRFBQZBMRFOP-CYBMUJFWSA-N 1 0 282.315 2.735 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512504 349647918 /nfs/dbraw/zinc/64/79/18/349647918.db2.gz PAEVQMDKFZPAFL-STQMWFEESA-N 1 0 282.315 2.637 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595494923 349642752 /nfs/dbraw/zinc/64/27/52/349642752.db2.gz DUNPHZYIKMHDOC-LLVKDONJSA-N 1 0 265.313 2.513 20 5 CFBDRO C[C@H](CO)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595558708 349658868 /nfs/dbraw/zinc/65/88/68/349658868.db2.gz PMQIUBHEIWHMQZ-LLVKDONJSA-N 1 0 296.342 2.574 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595538733 349653697 /nfs/dbraw/zinc/65/36/97/349653697.db2.gz JRHGGMVJADUMBW-KGLIPLIRSA-N 1 0 294.326 2.781 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536856 349653912 /nfs/dbraw/zinc/65/39/12/349653912.db2.gz VWROHTJSIZRTIA-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO CC[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595537009 349654083 /nfs/dbraw/zinc/65/40/83/349654083.db2.gz ZUCNXMYYFNEFSL-CQSZACIVSA-N 1 0 291.395 2.553 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595593745 349667789 /nfs/dbraw/zinc/66/77/89/349667789.db2.gz UITIILZPYPYSPE-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673034 349695595 /nfs/dbraw/zinc/69/55/95/349695595.db2.gz JHYMVQQLLGQXEK-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595701179 349709443 /nfs/dbraw/zinc/70/94/43/349709443.db2.gz RAVDKSSEIXLWGK-GXTWGEPZSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595701180 349709679 /nfs/dbraw/zinc/70/96/79/349709679.db2.gz RAVDKSSEIXLWGK-JSGCOSHPSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704816 349711089 /nfs/dbraw/zinc/71/10/89/349711089.db2.gz WAEWALDVOFULDK-BBRMVZONSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595833741 349746804 /nfs/dbraw/zinc/74/68/04/349746804.db2.gz LRAWOADWYRDQRX-UHFFFAOYSA-N 1 0 287.319 2.962 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595829440 349744506 /nfs/dbraw/zinc/74/45/06/349744506.db2.gz HXIKMQXSDSFWEC-BNOWGMLFSA-N 1 0 276.336 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000595830896 349745953 /nfs/dbraw/zinc/74/59/53/349745953.db2.gz MWRRSLMUNUHSPJ-RYUDHWBXSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756877 349725442 /nfs/dbraw/zinc/72/54/42/349725442.db2.gz HCPZQKALWOXYNU-RISCZKNCSA-N 1 0 296.754 2.717 20 5 CFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000595765085 349727074 /nfs/dbraw/zinc/72/70/74/349727074.db2.gz GXVLTUPRYLQGSC-LLVKDONJSA-N 1 0 274.324 2.749 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000595766645 349728217 /nfs/dbraw/zinc/72/82/17/349728217.db2.gz XZLUWCCGPLXSCG-GFCCVEGCSA-N 1 0 264.325 2.882 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000596014905 349776361 /nfs/dbraw/zinc/77/63/61/349776361.db2.gz WKIJUJJKAUEZCN-RYUDHWBXSA-N 1 0 293.367 2.557 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC3CC2(C)C3)ccc1[N+](=O)[O-] ZINC000595920808 349770069 /nfs/dbraw/zinc/77/00/69/349770069.db2.gz WWWAGABMMSPXDO-UHFFFAOYSA-N 1 0 276.336 2.978 20 5 CFBDRO CCn1nccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000596092426 349792767 /nfs/dbraw/zinc/79/27/67/349792767.db2.gz AAHRTDQZSRWWKO-CQSZACIVSA-N 1 0 286.335 2.588 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000154320887 529665684 /nfs/dbraw/zinc/66/56/84/529665684.db2.gz BYPXGYCOJANXRJ-DDTOSNHZSA-N 1 0 298.408 2.748 20 5 CFBDRO CC(C)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000072521791 346927391 /nfs/dbraw/zinc/92/73/91/346927391.db2.gz UOFGGHAYPZLSSN-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO COc1cc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000596115800 349797778 /nfs/dbraw/zinc/79/77/78/349797778.db2.gz VMONUBWTDMXEMF-AWEZNQCLSA-N 1 0 293.367 2.664 20 5 CFBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000126502792 187244284 /nfs/dbraw/zinc/24/42/84/187244284.db2.gz SSJBJHCFKMQJNO-CYBMUJFWSA-N 1 0 266.366 2.970 20 5 CFBDRO Cc1nccnc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000294991459 199288352 /nfs/dbraw/zinc/28/83/52/199288352.db2.gz LISURZCFLNVLDB-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000072858564 346943668 /nfs/dbraw/zinc/94/36/68/346943668.db2.gz TUQDBZWNHYKNDL-UONOGXRCSA-N 1 0 291.395 2.929 20 5 CFBDRO CS[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295018411 199301653 /nfs/dbraw/zinc/30/16/53/199301653.db2.gz KIXRDWORONILJV-LLVKDONJSA-N 1 0 252.339 2.532 20 5 CFBDRO CC/C=C/C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295019077 199303402 /nfs/dbraw/zinc/30/34/02/199303402.db2.gz NBKKKNMXWACNTP-ZYOFXKKJSA-N 1 0 291.351 2.868 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000596306594 349857823 /nfs/dbraw/zinc/85/78/23/349857823.db2.gz HALNTPWDWGHTRI-VIFPVBQESA-N 1 0 269.370 2.941 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000596306593 349857911 /nfs/dbraw/zinc/85/79/11/349857911.db2.gz HALNTPWDWGHTRI-SECBINFHSA-N 1 0 269.370 2.941 20 5 CFBDRO Cc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273173251 192065535 /nfs/dbraw/zinc/06/55/35/192065535.db2.gz WGRUWVKGCRWZPV-JKSUJKDBSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccnc(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000128118249 187352805 /nfs/dbraw/zinc/35/28/05/187352805.db2.gz HYOOKPOXPGEXDW-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)c1 ZINC000596433847 349901491 /nfs/dbraw/zinc/90/14/91/349901491.db2.gz UTUQVTCEOQMBDG-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO C[C@H](CCNc1nccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000596431837 349901507 /nfs/dbraw/zinc/90/15/07/349901507.db2.gz NOZODSBLFVLQJR-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596434453 349901822 /nfs/dbraw/zinc/90/18/22/349901822.db2.gz WMCUQNYFDBKNRU-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO C[NH2+]CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414859714 529970969 /nfs/dbraw/zinc/97/09/69/529970969.db2.gz NFDAJHRQOCYRAN-UHFFFAOYSA-N 1 0 289.335 2.554 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccsc1 ZINC000075606768 347086245 /nfs/dbraw/zinc/08/62/45/347086245.db2.gz VTRMMZXDTVTFLK-LBPRGKRZSA-N 1 0 292.364 2.766 20 5 CFBDRO C[NH+](C)C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000097930778 232183371 /nfs/dbraw/zinc/18/33/71/232183371.db2.gz UIFXHHCEAYIHFJ-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122240386 232199024 /nfs/dbraw/zinc/19/90/24/232199024.db2.gz WECLLMGZYUGAEG-NSHDSACASA-N 1 0 266.341 2.979 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000097435936 185602936 /nfs/dbraw/zinc/60/29/36/185602936.db2.gz HTNHFEUXJKECSX-ZYHUDNBSSA-N 1 0 266.341 2.572 20 5 CFBDRO O=[N+]([O-])c1cccnc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562273 349941394 /nfs/dbraw/zinc/94/13/94/349941394.db2.gz KMVBALDFVNKWKH-UHFFFAOYSA-N 1 0 290.367 2.524 20 5 CFBDRO CCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000127519462 187313124 /nfs/dbraw/zinc/31/31/24/187313124.db2.gz WLYDAWHTSNUHJH-UHFFFAOYSA-N 1 0 288.351 2.837 20 5 CFBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570047 349943795 /nfs/dbraw/zinc/94/37/95/349943795.db2.gz HZXMYULENHOZFF-ZDUSSCGKSA-N 1 0 290.367 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000037404413 346329908 /nfs/dbraw/zinc/32/99/08/346329908.db2.gz YQQIAJVWIZJNKZ-JTQLQIEISA-N 1 0 279.315 2.630 20 5 CFBDRO CC[NH+](CC)CCCNc1ccsc1[N+](=O)[O-] ZINC000033901266 346313909 /nfs/dbraw/zinc/31/39/09/346313909.db2.gz SZPMKTRDQBWLCQ-UHFFFAOYSA-N 1 0 257.359 2.800 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000039367133 346343255 /nfs/dbraw/zinc/34/32/55/346343255.db2.gz VPDBFTXQWHLCJI-BLLLJJGKSA-N 1 0 286.331 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000075667661 347091363 /nfs/dbraw/zinc/09/13/63/347091363.db2.gz GJGPNAGKFWQMJH-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C[NH2+]C ZINC000596655037 349969698 /nfs/dbraw/zinc/96/96/98/349969698.db2.gz SFEQDHHMOTYXIB-RYUDHWBXSA-N 1 0 297.424 2.663 20 5 CFBDRO COC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053906945 346553816 /nfs/dbraw/zinc/55/38/16/346553816.db2.gz ZPOFBDRHDJFZCF-NSHDSACASA-N 1 0 264.325 2.767 20 5 CFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000058610987 346647418 /nfs/dbraw/zinc/64/74/18/346647418.db2.gz LUHMAPRXROLUQR-ZDUSSCGKSA-N 1 0 278.356 2.522 20 5 CFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000080606258 347369641 /nfs/dbraw/zinc/36/96/41/347369641.db2.gz XONLDAUCRXTRLW-AWEZNQCLSA-N 1 0 289.379 2.763 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000080652878 347372523 /nfs/dbraw/zinc/37/25/23/347372523.db2.gz CVYDFJOUKRNQIQ-AWEZNQCLSA-N 1 0 277.368 2.824 20 5 CFBDRO CCOC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000091677298 347595710 /nfs/dbraw/zinc/59/57/10/347595710.db2.gz KMGZGSFTWXHCBR-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO CCC1(CO)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093591769 347679820 /nfs/dbraw/zinc/67/98/20/347679820.db2.gz XSHITGYMGDROQC-UHFFFAOYSA-N 1 0 292.379 2.888 20 5 CFBDRO O=C(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000113346420 347767234 /nfs/dbraw/zinc/76/72/34/347767234.db2.gz UFTDQSLKVUUQBY-UHFFFAOYSA-N 1 0 299.330 2.713 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000114474395 347771885 /nfs/dbraw/zinc/77/18/85/347771885.db2.gz PCTLEAASTMXCLJ-NSHDSACASA-N 1 0 266.341 2.998 20 5 CFBDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119482368 347802206 /nfs/dbraw/zinc/80/22/06/347802206.db2.gz BDDCAQPZCLEZTH-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO CC(C)OCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000120542393 347806811 /nfs/dbraw/zinc/80/68/11/347806811.db2.gz PKQXHFGOPDBKRC-ZDUSSCGKSA-N 1 0 280.368 2.931 20 5 CFBDRO CC[C@H]([NH2+]CC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000122013836 347813877 /nfs/dbraw/zinc/81/38/77/347813877.db2.gz FMJJPCWAKACLKZ-ZDUSSCGKSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122863500 347816942 /nfs/dbraw/zinc/81/69/42/347816942.db2.gz POBSZOAHIJUSJP-NWDGAFQWSA-N 1 0 275.352 2.940 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC000127861550 347844855 /nfs/dbraw/zinc/84/48/55/347844855.db2.gz MWVBLFJSFGDNMB-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132632352 347885763 /nfs/dbraw/zinc/88/57/63/347885763.db2.gz UYTXUZDHVXKGLT-NSHDSACASA-N 1 0 267.304 2.630 20 5 CFBDRO CC(C)(C)OCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000132925399 347887778 /nfs/dbraw/zinc/88/77/78/347887778.db2.gz HNIQNULZPFQCQI-UHFFFAOYSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1cccc(OCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000134493857 347898686 /nfs/dbraw/zinc/89/86/86/347898686.db2.gz KRIDKPYEINYAGT-UHFFFAOYSA-N 1 0 264.325 2.672 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OCCC1CC[NH2+]CC1 ZINC000134493831 347898874 /nfs/dbraw/zinc/89/88/74/347898874.db2.gz ZKKLRSHFMFUSCN-UHFFFAOYSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cccnc1[N+](=O)[O-] ZINC000159303407 348012315 /nfs/dbraw/zinc/01/23/15/348012315.db2.gz MMVLJMPYEPJSHI-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC000164206795 348037187 /nfs/dbraw/zinc/03/71/87/348037187.db2.gz SDIPYWNJIXFLKU-GFCCVEGCSA-N 1 0 278.352 2.859 20 5 CFBDRO COC[C@@H](C)C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000188464470 348132690 /nfs/dbraw/zinc/13/26/90/348132690.db2.gz IDDITYGRENCULM-NSHDSACASA-N 1 0 266.341 2.702 20 5 CFBDRO C[C@H]1SCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000220691834 348170547 /nfs/dbraw/zinc/17/05/47/348170547.db2.gz JSEXMGRXSCUQQE-ZWNOBZJWSA-N 1 0 266.366 2.621 20 5 CFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000227649215 348189103 /nfs/dbraw/zinc/18/91/03/348189103.db2.gz DKGVKPOGNTULRN-SECBINFHSA-N 1 0 296.758 2.539 20 5 CFBDRO Cc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000280529385 348341236 /nfs/dbraw/zinc/34/12/36/348341236.db2.gz IIQWSNYBMXXXII-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000311215729 348412210 /nfs/dbraw/zinc/41/22/10/348412210.db2.gz MYFJHIWGKHHTHT-CMPLNLGQSA-N 1 0 266.366 2.887 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273351948 192123724 /nfs/dbraw/zinc/12/37/24/192123724.db2.gz BGLGONFWZYMDMV-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311618681 348413796 /nfs/dbraw/zinc/41/37/96/348413796.db2.gz RZHSXELTTVYASV-VIFPVBQESA-N 1 0 284.747 2.539 20 5 CFBDRO CO[C@](C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000312295096 348416970 /nfs/dbraw/zinc/41/69/70/348416970.db2.gz AAADQAJKHGJQOF-OAHLLOKOSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000320401313 348436869 /nfs/dbraw/zinc/43/68/69/348436869.db2.gz ZFSWWDVTVKKUAJ-NSHDSACASA-N 1 0 294.351 2.662 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1C)OC ZINC000322837672 348437893 /nfs/dbraw/zinc/43/78/93/348437893.db2.gz DXKQRGFQHZEEGX-AWEZNQCLSA-N 1 0 266.341 2.808 20 5 CFBDRO COC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000314230923 348425805 /nfs/dbraw/zinc/42/58/05/348425805.db2.gz CHVZDTQXSGICLT-UHFFFAOYSA-N 1 0 294.351 2.522 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CCOCC1 ZINC000314512977 348426367 /nfs/dbraw/zinc/42/63/67/348426367.db2.gz ZJCLZVRGWDOVHJ-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586779986 348751373 /nfs/dbraw/zinc/75/13/73/348751373.db2.gz RZEOZABMDPQJOW-LDYMZIIASA-N 1 0 293.348 2.577 20 5 CFBDRO Cc1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000589266296 348822989 /nfs/dbraw/zinc/82/29/89/348822989.db2.gz HSTNAGQDDKHGTK-UHFFFAOYSA-N 1 0 289.335 2.874 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000589496330 348836266 /nfs/dbraw/zinc/83/62/66/348836266.db2.gz OQIUZPKEVYBKPR-JTQLQIEISA-N 1 0 292.335 2.612 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496850 348836352 /nfs/dbraw/zinc/83/63/52/348836352.db2.gz QWFYCZQVBNTFDI-ZDUSSCGKSA-N 1 0 292.335 2.756 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000590141891 348877963 /nfs/dbraw/zinc/87/79/63/348877963.db2.gz DMEDRWOAJWCSDC-CYBMUJFWSA-N 1 0 281.381 2.578 20 5 CFBDRO O=[N+]([O-])c1ncccc1NCCCCC[NH+]1CCCC1 ZINC000590143502 348878023 /nfs/dbraw/zinc/87/80/23/348878023.db2.gz JDUDFVAJIVRGNH-UHFFFAOYSA-N 1 0 278.356 2.668 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@H]3CCCOC3)C2)cc1 ZINC000590757637 348943543 /nfs/dbraw/zinc/94/35/43/348943543.db2.gz WSTBJKZTAYLCBG-ZBFHGGJFSA-N 1 0 290.363 2.953 20 5 CFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590568761 348909759 /nfs/dbraw/zinc/90/97/59/348909759.db2.gz KOBKEUNHCIZJLS-MWLCHTKSSA-N 1 0 283.759 2.777 20 5 CFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590569068 348909883 /nfs/dbraw/zinc/90/98/83/348909883.db2.gz KOBKEUNHCIZJLS-ONGXEEELSA-N 1 0 283.759 2.777 20 5 CFBDRO CCOc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590569632 348910153 /nfs/dbraw/zinc/91/01/53/348910153.db2.gz POIKQDRMJWUFIJ-AAEUAGOBSA-N 1 0 293.367 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000590598845 348913208 /nfs/dbraw/zinc/91/32/08/348913208.db2.gz CFNHZLSOOKLYPM-HNNXBMFYSA-N 1 0 283.331 2.979 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590644557 348919707 /nfs/dbraw/zinc/91/97/07/348919707.db2.gz DDKOQDIDABYJJW-GXTWGEPZSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000590969013 348974643 /nfs/dbraw/zinc/97/46/43/348974643.db2.gz ZGONYARXNYQUDI-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000590970294 348974855 /nfs/dbraw/zinc/97/48/55/348974855.db2.gz IBIHHTLPXZSPFU-LSDHHAIUSA-N 1 0 288.347 2.596 20 5 CFBDRO CO[C@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591845639 349050755 /nfs/dbraw/zinc/05/07/55/349050755.db2.gz YCKOCXAQXWAHDV-CQSZACIVSA-N 1 0 278.352 2.845 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444705 349022657 /nfs/dbraw/zinc/02/26/57/349022657.db2.gz IMPBMQCMBMQXDB-NEPJUHHUSA-N 1 0 293.342 2.560 20 5 CFBDRO Cc1c([C@@H](C)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591577810 349030943 /nfs/dbraw/zinc/03/09/43/349030943.db2.gz IDCJFSIDNZGNNA-CHWSQXEVSA-N 1 0 277.368 2.696 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC3)o2)cc1 ZINC000591642146 349035868 /nfs/dbraw/zinc/03/58/68/349035868.db2.gz WXUMCANHPHPRNY-GFCCVEGCSA-N 1 0 288.303 2.733 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357150 349107573 /nfs/dbraw/zinc/10/75/73/349107573.db2.gz RHKRDIYULCRXNJ-NSHDSACASA-N 1 0 299.290 2.551 20 5 CFBDRO C[N@H+](CCC(C)(C)C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592144926 349090155 /nfs/dbraw/zinc/09/01/55/349090155.db2.gz QENQKGOHXQOCDB-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO C[NH+](C)CCSc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591922492 349060646 /nfs/dbraw/zinc/06/06/46/349060646.db2.gz DVTGLHQMTGSRJT-UHFFFAOYSA-N 1 0 281.381 2.522 20 5 CFBDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374586 349111222 /nfs/dbraw/zinc/11/12/22/349111222.db2.gz LHQGWSQLAIDXDM-OAHLLOKOSA-N 1 0 296.367 2.634 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592374998 349111407 /nfs/dbraw/zinc/11/14/07/349111407.db2.gz OZQQHRLENMSLAJ-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489160 349128070 /nfs/dbraw/zinc/12/80/70/349128070.db2.gz ISFCZMXBOWDXFS-CZUORRHYSA-N 1 0 289.379 2.731 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489153 349128149 /nfs/dbraw/zinc/12/81/49/349128149.db2.gz ISFCZMXBOWDXFS-BBRMVZONSA-N 1 0 289.379 2.731 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCN(C)C1 ZINC000592520711 349131777 /nfs/dbraw/zinc/13/17/77/349131777.db2.gz PBHRLDZZJBYYSI-MRXNPFEDSA-N 1 0 291.395 2.819 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000593113299 349211225 /nfs/dbraw/zinc/21/12/25/349211225.db2.gz YIXJEZIVXXMFPG-UHFFFAOYSA-N 1 0 283.397 2.574 20 5 CFBDRO Cc1c(C[NH+]2CCC(C3(O)CC3)CC2)cccc1[N+](=O)[O-] ZINC000593051723 349195400 /nfs/dbraw/zinc/19/54/00/349195400.db2.gz VEWWCRYRYJQTET-UHFFFAOYSA-N 1 0 290.363 2.640 20 5 CFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593063852 349199522 /nfs/dbraw/zinc/19/95/22/349199522.db2.gz PLKWTEWSTYPDEK-SWLSCSKDSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000593082822 349204011 /nfs/dbraw/zinc/20/40/11/349204011.db2.gz IIYOJEDAOVGPLY-NSHDSACASA-N 1 0 296.342 2.574 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593091313 349206296 /nfs/dbraw/zinc/20/62/96/349206296.db2.gz FVPOBKVZTWCWOU-CYBMUJFWSA-N 1 0 290.363 2.781 20 5 CFBDRO C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC000593472703 349277554 /nfs/dbraw/zinc/27/75/54/349277554.db2.gz IVUBKYKGSPBPRE-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593674188 349308729 /nfs/dbraw/zinc/30/87/29/349308729.db2.gz PGYZZWLDUPMDRJ-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593735025 349316470 /nfs/dbraw/zinc/31/64/70/349316470.db2.gz UUJSRELNPVMUJZ-FZMZJTMJSA-N 1 0 295.358 2.683 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2CC2CCCC2)n1 ZINC000594052816 349365052 /nfs/dbraw/zinc/36/50/52/349365052.db2.gz HNKMWXPWQGRFLL-AWEZNQCLSA-N 1 0 292.383 2.836 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCCCC1 ZINC000594493802 349429479 /nfs/dbraw/zinc/42/94/79/349429479.db2.gz SFENKBPTVWNTBQ-AWEZNQCLSA-N 1 0 290.363 2.867 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000597113231 350031116 /nfs/dbraw/zinc/03/11/16/350031116.db2.gz MXXWTOMKLMTNSO-DZGCQCFKSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414563596 233294350 /nfs/dbraw/zinc/29/43/50/233294350.db2.gz DAKQIUUBJWMRAM-GXTWGEPZSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000091479122 180166688 /nfs/dbraw/zinc/16/66/88/180166688.db2.gz OYQKMLBZTYUXEP-NSHDSACASA-N 1 0 251.330 2.737 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000091485411 180167192 /nfs/dbraw/zinc/16/71/92/180167192.db2.gz QVVQWWPFMFMRKN-ZYHUDNBSSA-N 1 0 261.325 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000598648237 350301555 /nfs/dbraw/zinc/30/15/55/350301555.db2.gz PBIIOQHALARPHY-JTQLQIEISA-N 1 0 256.252 2.730 20 5 CFBDRO CC1(C)CC[C@H](CO)N(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598649466 350302465 /nfs/dbraw/zinc/30/24/65/350302465.db2.gz XKBSCAXGZPWZBI-CYBMUJFWSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000598932624 350347333 /nfs/dbraw/zinc/34/73/33/350347333.db2.gz OEDOHRFDGXIPGF-AWEZNQCLSA-N 1 0 286.335 2.528 20 5 CFBDRO C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978465 350353492 /nfs/dbraw/zinc/35/34/92/350353492.db2.gz UHUHMTLPBGHLJH-CQSZACIVSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000599000373 350357200 /nfs/dbraw/zinc/35/72/00/350357200.db2.gz SGJDLNFNVMGCEV-QOBXEIRBSA-N 1 0 282.315 2.635 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599011046 350358378 /nfs/dbraw/zinc/35/83/78/350358378.db2.gz XGRQGKOMGWCSAO-ZFWWWQNUSA-N 1 0 276.336 2.560 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000599013897 350358941 /nfs/dbraw/zinc/35/89/41/350358941.db2.gz AJQRKRQNMPCQME-JOCQHMNTSA-N 1 0 278.352 2.985 20 5 CFBDRO C[C@@H](CCO)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599087183 350374007 /nfs/dbraw/zinc/37/40/07/350374007.db2.gz XQHWPFLVOCSESR-LLVKDONJSA-N 1 0 289.335 2.964 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599090583 350374093 /nfs/dbraw/zinc/37/40/93/350374093.db2.gz FJPSPWKVNIMGHY-WDMOLILDSA-N 1 0 276.336 2.597 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599092666 350374400 /nfs/dbraw/zinc/37/44/00/350374400.db2.gz RISADKUIIXIULO-COPLHBTASA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000599139850 350382796 /nfs/dbraw/zinc/38/27/96/350382796.db2.gz RCLUUEFECZLCLG-ZDUSSCGKSA-N 1 0 292.383 2.750 20 5 CFBDRO CC[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599180826 350390604 /nfs/dbraw/zinc/39/06/04/350390604.db2.gz ZVJQRQVBTRCMFZ-WCBMZHEXSA-N 1 0 269.370 2.541 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599626916 350467170 /nfs/dbraw/zinc/46/71/70/350467170.db2.gz ZLOBEALLZIZNHH-RZGXBDKHSA-N 1 0 282.315 2.635 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000106468909 186119458 /nfs/dbraw/zinc/11/94/58/186119458.db2.gz XGYIFGWYJDQHED-UHFFFAOYSA-N 1 0 288.303 2.599 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000600132196 350516690 /nfs/dbraw/zinc/51/66/90/350516690.db2.gz JBYVRAXVMYXUIN-UHFFFAOYSA-N 1 0 287.319 2.793 20 5 CFBDRO CC[C@H](C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000600168641 350528843 /nfs/dbraw/zinc/52/88/43/350528843.db2.gz LLMSHZVEXBSPCX-CFNZNRNTSA-N 1 0 278.352 2.701 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(C)COC1 ZINC000600192914 350537050 /nfs/dbraw/zinc/53/70/50/350537050.db2.gz ZUGGVMXCHZZUIQ-NTUHNPAUSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108078431 186203293 /nfs/dbraw/zinc/20/32/93/186203293.db2.gz MPEBGUSYBPTCJY-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000600707388 350598490 /nfs/dbraw/zinc/59/84/90/350598490.db2.gz HHVYUFYDEQRMKY-SOUVJXGZSA-N 1 0 277.368 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCOC2)c1 ZINC000109544643 186261995 /nfs/dbraw/zinc/26/19/95/186261995.db2.gz SMUXRWRBUMFSKD-JTQLQIEISA-N 1 0 270.716 2.517 20 5 CFBDRO Cc1cc2c(c(-c3ccc([N+](=O)[O-])nc3)c1)CC[NH2+]C2 ZINC000600789002 350612213 /nfs/dbraw/zinc/61/22/13/350612213.db2.gz OVDRGTHQURZHIC-UHFFFAOYSA-N 1 0 269.304 2.611 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc(C[NH2+]C3CC3)c2)cn1 ZINC000600789380 350612268 /nfs/dbraw/zinc/61/22/68/350612268.db2.gz RODCFPRENSHVTL-UHFFFAOYSA-N 1 0 269.304 2.909 20 5 CFBDRO Cc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC000600792432 350613784 /nfs/dbraw/zinc/61/37/84/350613784.db2.gz XSGNOEJTPVUCDK-UHFFFAOYSA-N 1 0 286.335 2.691 20 5 CFBDRO C[C@H](CCNc1ncc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000601142237 350680569 /nfs/dbraw/zinc/68/05/69/350680569.db2.gz OMJGVCGMLBPVJD-LLVKDONJSA-N 1 0 296.346 2.805 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000601155097 350683862 /nfs/dbraw/zinc/68/38/62/350683862.db2.gz CUUXWWHLGVSPJP-UHFFFAOYSA-N 1 0 298.342 2.957 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCn2nccc21 ZINC000601173644 350688976 /nfs/dbraw/zinc/68/89/76/350688976.db2.gz FVZSFLGRTSPSNQ-ZRFDWSJLSA-N 1 0 298.346 2.929 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601191002 350693142 /nfs/dbraw/zinc/69/31/42/350693142.db2.gz IAJUHGNUYWSXIG-JTQLQIEISA-N 1 0 296.346 2.661 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000601203018 350696290 /nfs/dbraw/zinc/69/62/90/350696290.db2.gz LPZMFPGNTHIYFZ-LBPRGKRZSA-N 1 0 294.330 2.558 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601289713 350717878 /nfs/dbraw/zinc/71/78/78/350717878.db2.gz QSIOBDBOTUTYPF-WCQYABFASA-N 1 0 266.341 2.797 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000601289827 350718495 /nfs/dbraw/zinc/71/84/95/350718495.db2.gz UGHZLCWSNUOZME-VXGBXAGGSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000601300257 350719183 /nfs/dbraw/zinc/71/91/83/350719183.db2.gz WURKTBYZTWUUBZ-YAMSLAJTSA-N 1 0 294.351 2.820 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000601298495 350719371 /nfs/dbraw/zinc/71/93/71/350719371.db2.gz ITAPWFHTKTVRKU-JOYOIKCWSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@@H](O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111287978 186390603 /nfs/dbraw/zinc/39/06/03/186390603.db2.gz UUXUAOPJAITXOD-VXGBXAGGSA-N 1 0 278.352 2.749 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000111296425 186392286 /nfs/dbraw/zinc/39/22/86/186392286.db2.gz WYEHOUMURSUEMD-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CC(C)OCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602498916 350906220 /nfs/dbraw/zinc/90/62/20/350906220.db2.gz MGAFLSNQZACJIJ-UHFFFAOYSA-N 1 0 293.323 2.641 20 5 CFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CC1 ZINC000602505283 350908284 /nfs/dbraw/zinc/90/82/84/350908284.db2.gz ZHXWMKBOPTZCPW-UHFFFAOYSA-N 1 0 260.215 2.866 20 5 CFBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000602570478 350928382 /nfs/dbraw/zinc/92/83/82/350928382.db2.gz WEYBTBUWMZEUNY-GFCCVEGCSA-N 1 0 280.372 2.597 20 5 CFBDRO CCCC[NH+](CCCC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602430113 350878618 /nfs/dbraw/zinc/87/86/18/350878618.db2.gz VWAPQXGDGKTKGG-UHFFFAOYSA-N 1 0 268.361 2.731 20 5 CFBDRO CCCCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602438611 350882822 /nfs/dbraw/zinc/88/28/22/350882822.db2.gz GKNDGEMGBMUAQU-UHFFFAOYSA-N 1 0 268.361 2.729 20 5 CFBDRO CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602441339 350883838 /nfs/dbraw/zinc/88/38/38/350883838.db2.gz CMCKAVUICRATMW-BXUZGUMPSA-N 1 0 293.367 2.536 20 5 CFBDRO CC1(C)CCC[C@@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602673929 350972041 /nfs/dbraw/zinc/97/20/41/350972041.db2.gz DSXVWCCMJIMIHX-MRXNPFEDSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CS1 ZINC000602690036 350980792 /nfs/dbraw/zinc/98/07/92/350980792.db2.gz JNTLNUDBUAIEHS-BDAKNGLRSA-N 1 0 293.348 2.720 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000602690814 350981311 /nfs/dbraw/zinc/98/13/11/350981311.db2.gz PILKCDYUYWGLOU-YRGRVCCFSA-N 1 0 278.352 2.540 20 5 CFBDRO COCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000602706541 350990630 /nfs/dbraw/zinc/99/06/30/350990630.db2.gz PZZIBHYLVHAOHG-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO CC(C)(C)OCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602710464 350993074 /nfs/dbraw/zinc/99/30/74/350993074.db2.gz MBBYNFWPGHLWBR-UHFFFAOYSA-N 1 0 280.368 2.932 20 5 CFBDRO C[C@@H]1C[C@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602606911 350943918 /nfs/dbraw/zinc/94/39/18/350943918.db2.gz HOZAYIQVODPRFU-UKRRQHHQSA-N 1 0 292.379 2.932 20 5 CFBDRO CC(C)=CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602636873 350956022 /nfs/dbraw/zinc/95/60/22/350956022.db2.gz YOWNZTPPWYDLTB-UHFFFAOYSA-N 1 0 290.367 2.514 20 5 CFBDRO Cn1cc(C[N@H+](C2CC2)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000602762511 351016854 /nfs/dbraw/zinc/01/68/54/351016854.db2.gz KNIATYREIYACNC-UHFFFAOYSA-N 1 0 278.356 2.625 20 5 CFBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000602807315 351032477 /nfs/dbraw/zinc/03/24/77/351032477.db2.gz XUHNIXCNTSYQCG-NEPJUHHUSA-N 1 0 288.351 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000602808709 351033436 /nfs/dbraw/zinc/03/34/36/351033436.db2.gz YXCUGTPNCGBZBY-FPMFFAJLSA-N 1 0 292.383 2.610 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807646 351033935 /nfs/dbraw/zinc/03/39/35/351033935.db2.gz ZJTUMXFSTCMHMU-XBFCOCLRSA-N 1 0 294.399 2.879 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CC1)CC1CCC1 ZINC000602822189 351037656 /nfs/dbraw/zinc/03/76/56/351037656.db2.gz SRWJVCNJEOISDT-UHFFFAOYSA-N 1 0 292.383 2.612 20 5 CFBDRO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000602837288 351040604 /nfs/dbraw/zinc/04/06/04/351040604.db2.gz LGLSCKMTBURPNJ-UHFFFAOYSA-N 1 0 280.372 2.727 20 5 CFBDRO CCC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602842730 351042781 /nfs/dbraw/zinc/04/27/81/351042781.db2.gz SHYDSCOYEVTYKL-NSHDSACASA-N 1 0 268.361 2.633 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000602843673 351043101 /nfs/dbraw/zinc/04/31/01/351043101.db2.gz WVEBSJBWQVGPFN-SMDDNHRTSA-N 1 0 280.372 2.658 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997047 351088531 /nfs/dbraw/zinc/08/85/31/351088531.db2.gz BESQLPADJXSFJO-BMFZPTHFSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC000602999580 351089144 /nfs/dbraw/zinc/08/91/44/351089144.db2.gz LGXKLUWPLHIVIO-AWEZNQCLSA-N 1 0 292.383 2.694 20 5 CFBDRO CC1CC[NH+](CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603842833 351185534 /nfs/dbraw/zinc/18/55/34/351185534.db2.gz OQHODRRMYDWJTF-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000609560516 351506884 /nfs/dbraw/zinc/50/68/84/351506884.db2.gz WXORNGQCUGAOIQ-NSHDSACASA-N 1 0 281.381 2.721 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609595631 351510871 /nfs/dbraw/zinc/51/08/71/351510871.db2.gz TWUYKBKYAOAKOK-ZDUSSCGKSA-N 1 0 277.368 2.870 20 5 CFBDRO Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000609595530 351510906 /nfs/dbraw/zinc/51/09/06/351510906.db2.gz LEDBKWXTUUZIKX-ZDUSSCGKSA-N 1 0 277.368 2.870 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000609133571 351486629 /nfs/dbraw/zinc/48/66/29/351486629.db2.gz JMMVRUIURGEZPA-OAHLLOKOSA-N 1 0 276.336 2.848 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000609893406 351526369 /nfs/dbraw/zinc/52/63/69/351526369.db2.gz MDRJRHPHLHJFKI-JTQLQIEISA-N 1 0 296.758 2.539 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000610162283 351535514 /nfs/dbraw/zinc/53/55/14/351535514.db2.gz PJZDLOHGCVFVKN-MVWJERBFSA-N 1 0 282.365 2.559 20 5 CFBDRO COc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610275202 351546888 /nfs/dbraw/zinc/54/68/88/351546888.db2.gz VMAXLSPHZMGJAX-LBPRGKRZSA-N 1 0 293.367 2.570 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc[nH]1 ZINC000610477081 351568955 /nfs/dbraw/zinc/56/89/55/351568955.db2.gz WLTWPNWJHVZDFX-UHFFFAOYSA-N 1 0 259.309 2.597 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000610807996 351610270 /nfs/dbraw/zinc/61/02/70/351610270.db2.gz GWIQTMKAIJAOHD-MNOVXSKESA-N 1 0 281.381 2.577 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000610995239 351632521 /nfs/dbraw/zinc/63/25/21/351632521.db2.gz RNUSTHPTJLTRBL-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOC3)CC2)c(F)c1 ZINC000611178495 351647694 /nfs/dbraw/zinc/64/76/94/351647694.db2.gz WWJPFDGTAMITSG-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256592 351658501 /nfs/dbraw/zinc/65/85/01/351658501.db2.gz ILEHAXNFQQAFQK-DYLGSBMWSA-N 1 0 290.363 2.966 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000611411728 351684823 /nfs/dbraw/zinc/68/48/23/351684823.db2.gz WMUBORYFYRCBRU-ZJUUUORDSA-N 1 0 267.354 2.695 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CO)CCCCC1 ZINC000611461725 351692386 /nfs/dbraw/zinc/69/23/86/351692386.db2.gz UMEDWRACHOPRPN-VURMDHGXSA-N 1 0 290.363 2.893 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611481262 351695915 /nfs/dbraw/zinc/69/59/15/351695915.db2.gz YSWTZOCILPVTPS-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO CCC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611498477 351698354 /nfs/dbraw/zinc/69/83/54/351698354.db2.gz AKQMRQSRWSSHCI-UHFFFAOYSA-N 1 0 296.342 2.907 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000611336964 351669628 /nfs/dbraw/zinc/66/96/28/351669628.db2.gz UEIWEOFGPADBJF-NSHDSACASA-N 1 0 296.367 2.663 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000611337501 351670253 /nfs/dbraw/zinc/67/02/53/351670253.db2.gz UXNCZWIOZYQWSP-WCQYABFASA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C[NH+](C)C ZINC000291660370 198053970 /nfs/dbraw/zinc/05/39/70/198053970.db2.gz CRXBRORFNVRURQ-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO CCC[NH+]1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615623 351714442 /nfs/dbraw/zinc/71/44/42/351714442.db2.gz OEHQQYKCFSSVAF-UHFFFAOYSA-N 1 0 292.383 2.893 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CC(F)(F)C2)cs1 ZINC000291717011 198068666 /nfs/dbraw/zinc/06/86/66/198068666.db2.gz MCQBLADAOBRAGK-UHFFFAOYSA-N 1 0 262.281 2.791 20 5 CFBDRO CC[C@H](O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000291722857 198070692 /nfs/dbraw/zinc/07/06/92/198070692.db2.gz MVYSGQCOOONOHG-ZDUSSCGKSA-N 1 0 290.319 2.715 20 5 CFBDRO C[NH+](C)CC1(CNc2cccnc2[N+](=O)[O-])CCCC1 ZINC000612666752 351849746 /nfs/dbraw/zinc/84/97/46/351849746.db2.gz CBDDJMYCFLSOBS-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000123474660 187094551 /nfs/dbraw/zinc/09/45/51/187094551.db2.gz FITCYUPOTURHAX-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271497310 191174074 /nfs/dbraw/zinc/17/40/74/191174074.db2.gz KCYXRVWGWPXRCA-NWDGAFQWSA-N 1 0 284.381 2.950 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000271503353 191178196 /nfs/dbraw/zinc/17/81/96/191178196.db2.gz NOIDZFVOUHAQFT-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000133825035 187710196 /nfs/dbraw/zinc/71/01/96/187710196.db2.gz VWASTEZZNBRSII-RKDXNWHRSA-N 1 0 254.717 2.994 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000271524904 191192477 /nfs/dbraw/zinc/19/24/77/191192477.db2.gz OYWWHERCOROLAQ-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000617491713 352572101 /nfs/dbraw/zinc/57/21/01/352572101.db2.gz OOAXTVGQDIXMAW-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO C[C@@H]1C[N@H+](CCCNc2sccc2[N+](=O)[O-])CCCO1 ZINC000617843243 352656512 /nfs/dbraw/zinc/65/65/12/352656512.db2.gz IZJQYIDOPUZKEH-LLVKDONJSA-N 1 0 299.396 2.569 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)s1 ZINC000618345903 352756219 /nfs/dbraw/zinc/75/62/19/352756219.db2.gz ZOXJMMOPRGMJQG-UHFFFAOYSA-N 1 0 281.381 2.943 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000292221047 198208134 /nfs/dbraw/zinc/20/81/34/198208134.db2.gz VADZVGXSAZESAW-NEPJUHHUSA-N 1 0 278.352 2.987 20 5 CFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295159214 199379714 /nfs/dbraw/zinc/37/97/14/199379714.db2.gz DPUDMXYFJSARHG-ZDUSSCGKSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1cc(C)n(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000271658749 191264958 /nfs/dbraw/zinc/26/49/58/191264958.db2.gz KQQPCFKARPBBCZ-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152924199 188053634 /nfs/dbraw/zinc/05/36/34/188053634.db2.gz CIYPSWTXFKBNQJ-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153755207 188101368 /nfs/dbraw/zinc/10/13/68/188101368.db2.gz JLBPRYNJKYUKBF-DGCLKSJQSA-N 1 0 296.367 2.805 20 5 CFBDRO CC(C)[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153528769 188086973 /nfs/dbraw/zinc/08/69/73/188086973.db2.gz XXOJNWGQNSNDIG-UHFFFAOYSA-N 1 0 298.774 2.928 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154536714 188148592 /nfs/dbraw/zinc/14/85/92/188148592.db2.gz ADKSFLGKJMFKPG-RISCZKNCSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157694499 188332424 /nfs/dbraw/zinc/33/24/24/188332424.db2.gz PBFRUWSAIVMUPA-ZDUSSCGKSA-N 1 0 288.351 2.793 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000157945390 188348561 /nfs/dbraw/zinc/34/85/61/188348561.db2.gz KCUIDTLIARCLDO-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CC[C@H](CSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000158819579 188395293 /nfs/dbraw/zinc/39/52/93/188395293.db2.gz GEPVCXIJLJMTPT-LLVKDONJSA-N 1 0 254.355 2.826 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292752743 198399661 /nfs/dbraw/zinc/39/96/61/198399661.db2.gz IPVXSYGTEQEIOC-CYBMUJFWSA-N 1 0 298.408 2.933 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000293051252 198509774 /nfs/dbraw/zinc/50/97/74/198509774.db2.gz ROEFUFZKTVRVBK-OAHLLOKOSA-N 1 0 292.379 2.873 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000293148022 198540942 /nfs/dbraw/zinc/54/09/42/198540942.db2.gz USTLZCZHTSLBBT-DOMZBBRYSA-N 1 0 278.352 2.544 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000271887716 191392052 /nfs/dbraw/zinc/39/20/52/191392052.db2.gz WJTOZHANJPCANZ-UHFFFAOYSA-N 1 0 281.743 2.922 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294679777 199130791 /nfs/dbraw/zinc/13/07/91/199130791.db2.gz BNDRPIVGBOKZAH-KBPBESRZSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294833941 199204082 /nfs/dbraw/zinc/20/40/82/199204082.db2.gz RIINMPHLXULQHU-ZYHUDNBSSA-N 1 0 261.325 2.936 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000294895928 199237393 /nfs/dbraw/zinc/23/73/93/199237393.db2.gz REDAFKQDPNQNSY-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1cccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000298311742 200392073 /nfs/dbraw/zinc/39/20/73/200392073.db2.gz QHTINJJIJFOVPI-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000177893031 189077022 /nfs/dbraw/zinc/07/70/22/189077022.db2.gz VFVHAUWHWBMWCL-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000178166494 189094713 /nfs/dbraw/zinc/09/47/13/189094713.db2.gz UHANADXRGNTENW-NSHDSACASA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000178171374 189095066 /nfs/dbraw/zinc/09/50/66/189095066.db2.gz QSFCUYICUNJIHQ-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000178207030 189097472 /nfs/dbraw/zinc/09/74/72/189097472.db2.gz CFAXXMFBSPUBAE-NSHDSACASA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000178240459 189100012 /nfs/dbraw/zinc/10/00/12/189100012.db2.gz BHDOPSFACOPKTP-CYBMUJFWSA-N 1 0 292.383 2.609 20 5 CFBDRO CC[N@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178572230 189127723 /nfs/dbraw/zinc/12/77/23/189127723.db2.gz FDZJGCVCIGWPLU-AWEZNQCLSA-N 1 0 266.341 2.606 20 5 CFBDRO CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1[N+](=O)[O-] ZINC000179397365 189191087 /nfs/dbraw/zinc/19/10/87/189191087.db2.gz RZLRBKIPXDKCKK-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179421218 189192894 /nfs/dbraw/zinc/19/28/94/189192894.db2.gz TVJKYNYAFAJLLW-AAEUAGOBSA-N 1 0 294.351 2.823 20 5 CFBDRO C[C@@H]([NH2+]CCCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000180455575 189256243 /nfs/dbraw/zinc/25/62/43/189256243.db2.gz BCFFKDGGONKNHS-GFCCVEGCSA-N 1 0 266.341 2.798 20 5 CFBDRO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459606 189256370 /nfs/dbraw/zinc/25/63/70/189256370.db2.gz VAPZNHIMJWXMGR-OCCSQVGLSA-N 1 0 277.368 2.730 20 5 CFBDRO Cc1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301479002 201022775 /nfs/dbraw/zinc/02/27/75/201022775.db2.gz QSICMHNHINRCLZ-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183040930 189344209 /nfs/dbraw/zinc/34/42/09/189344209.db2.gz NYWFCKTWAMIJPX-CMPLNLGQSA-N 1 0 293.367 2.866 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000183060247 189344557 /nfs/dbraw/zinc/34/45/57/189344557.db2.gz TTXPOKPKALYEFK-VXGBXAGGSA-N 1 0 293.367 2.582 20 5 CFBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301686757 201138413 /nfs/dbraw/zinc/13/84/13/201138413.db2.gz XFDPMWBBNLEIBJ-LBPRGKRZSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183365864 189356521 /nfs/dbraw/zinc/35/65/21/189356521.db2.gz NRPIBLSHTWENOW-HIFRSBDPSA-N 1 0 291.395 2.818 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000183654232 189364897 /nfs/dbraw/zinc/36/48/97/189364897.db2.gz HYMLSLJLTWELST-HOCLYGCPSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183914783 189370998 /nfs/dbraw/zinc/37/09/98/189370998.db2.gz STOKOVZNRFWPKQ-ZDUSSCGKSA-N 1 0 286.759 2.889 20 5 CFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655836 189419019 /nfs/dbraw/zinc/41/90/19/189419019.db2.gz KSPVCEZJGKSWRQ-CQDKDKBSSA-N 1 0 278.352 2.749 20 5 CFBDRO CCOCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000302065272 201328827 /nfs/dbraw/zinc/32/88/27/201328827.db2.gz DVBQPAMOQMVTQD-UHFFFAOYSA-N 1 0 289.335 2.924 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000302039795 201314881 /nfs/dbraw/zinc/31/48/81/201314881.db2.gz VZZALARMBNUXAG-NXEZZACHSA-N 1 0 269.370 2.941 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188117450 189490673 /nfs/dbraw/zinc/49/06/73/189490673.db2.gz ZRTJNBRYOAEBAL-RYUDHWBXSA-N 1 0 266.341 2.540 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000188124889 189491147 /nfs/dbraw/zinc/49/11/47/189491147.db2.gz VGPPVTKSDBRVAL-MNOVXSKESA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCSC1 ZINC000430200599 239725075 /nfs/dbraw/zinc/72/50/75/239725075.db2.gz ARXDVWZXPZSIJM-LBPRGKRZSA-N 1 0 282.365 2.541 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000432413042 240001286 /nfs/dbraw/zinc/00/12/86/240001286.db2.gz FKEZXSTYYCPENF-OPFPJEHXSA-N 1 0 292.379 2.667 20 5 CFBDRO CC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000432782835 240043357 /nfs/dbraw/zinc/04/33/57/240043357.db2.gz VWFZTTLYVMSVKM-LBPRGKRZSA-N 1 0 290.367 2.666 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433295976 240139545 /nfs/dbraw/zinc/13/95/45/240139545.db2.gz GMIODZUDFWVOJV-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO CC1(C)CCCN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000444007222 241107840 /nfs/dbraw/zinc/10/78/40/241107840.db2.gz APBMIOFIYXUTOQ-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO CC1(C)CCC[N@H+](CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000444011132 241109330 /nfs/dbraw/zinc/10/93/30/241109330.db2.gz RHTMOJMJEVMDNA-UHFFFAOYSA-N 1 0 297.424 2.868 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)N(CCC[NH+]1CCCCC1)CC2 ZINC000444612946 241155709 /nfs/dbraw/zinc/15/57/09/241155709.db2.gz WTBZRCBJBZCDFR-UHFFFAOYSA-N 1 0 289.379 2.833 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444642045 241158238 /nfs/dbraw/zinc/15/82/38/241158238.db2.gz QHKQXDUUWVNEDW-JTQLQIEISA-N 1 0 274.324 2.703 20 5 CFBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000444653388 241161852 /nfs/dbraw/zinc/16/18/52/241161852.db2.gz WFOXILYFYKYDIN-AOOOYVTPSA-N 1 0 274.324 2.559 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000444230607 241127872 /nfs/dbraw/zinc/12/78/72/241127872.db2.gz ZCYXVNNWJJCPKU-PWSUYJOCSA-N 1 0 291.351 2.572 20 5 CFBDRO CC(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510084 241378672 /nfs/dbraw/zinc/37/86/72/241378672.db2.gz OLVPFAOTYPCZEX-CHWSQXEVSA-N 1 0 280.372 2.911 20 5 CFBDRO C[C@@](O)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000447537644 241381692 /nfs/dbraw/zinc/38/16/92/241381692.db2.gz XLJDLOJFZUUUIQ-HZPDHXFCSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC=CCC2)n1 ZINC000447573922 241387806 /nfs/dbraw/zinc/38/78/06/241387806.db2.gz JPEGNCDBMMBGSK-MGPQQGTHSA-N 1 0 290.367 2.973 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCOC1)CCC2 ZINC000447600383 241391301 /nfs/dbraw/zinc/39/13/01/241391301.db2.gz MFJYTPWZBMKBFG-MLGOLLRUSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447596437 241391547 /nfs/dbraw/zinc/39/15/47/241391547.db2.gz BZEOXROCCYAMQY-PGUXBMHVSA-N 1 0 278.352 2.721 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]1C(F)F ZINC000449320996 241845436 /nfs/dbraw/zinc/84/54/36/241845436.db2.gz QMZXJKQXFJFFIU-LSJOCFKGSA-N 1 0 270.279 2.769 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000449567748 242037587 /nfs/dbraw/zinc/03/75/87/242037587.db2.gz YGDHJXDIRMWZJD-ZDUSSCGKSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578295 242044781 /nfs/dbraw/zinc/04/47/81/242044781.db2.gz KCMKDJXSOGGGCY-BJJXKVORSA-N 1 0 292.379 2.667 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(CO)CC1 ZINC000449577451 242044855 /nfs/dbraw/zinc/04/48/55/242044855.db2.gz DYYIOWGWSDRWMQ-UKTHLTGXSA-N 1 0 290.363 2.750 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000449630652 242079238 /nfs/dbraw/zinc/07/92/38/242079238.db2.gz NNEWVDKKGFUDDP-ABAIWWIYSA-N 1 0 278.352 2.806 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449565964 242036577 /nfs/dbraw/zinc/03/65/77/242036577.db2.gz LWVSVTHVCCZBNG-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(F)c1 ZINC000449686129 242108327 /nfs/dbraw/zinc/10/83/27/242108327.db2.gz XLNASBSPJIGQME-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO CCc1cc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000450268009 242333717 /nfs/dbraw/zinc/33/37/17/242333717.db2.gz CIJDIPXOROZTRG-UHFFFAOYSA-N 1 0 287.319 2.595 20 5 CFBDRO CC[N@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450276093 242338176 /nfs/dbraw/zinc/33/81/76/242338176.db2.gz HMELWXLKTJQPIO-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000452034169 243018187 /nfs/dbraw/zinc/01/81/87/243018187.db2.gz DQDRYAZFHIWKJR-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330690220 203121431 /nfs/dbraw/zinc/12/14/31/203121431.db2.gz AMXPXIAZCNYRDG-QWHCGFSZSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000330907220 203378027 /nfs/dbraw/zinc/37/80/27/203378027.db2.gz NPOJPKNBXWTFCP-TXEJJXNPSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000330907221 203378654 /nfs/dbraw/zinc/37/86/54/203378654.db2.gz NPOJPKNBXWTFCP-VXGBXAGGSA-N 1 0 291.351 2.715 20 5 CFBDRO C[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276491629 193353628 /nfs/dbraw/zinc/35/36/28/193353628.db2.gz ASUCUJVZSIJWDO-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000295146583 296164423 /nfs/dbraw/zinc/16/44/23/296164423.db2.gz CRBDNXNAGFSAQT-MFKMUULPSA-N 1 0 264.325 2.813 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459632932 245252124 /nfs/dbraw/zinc/25/21/24/245252124.db2.gz MFXVBVVEDCLGPQ-XBXGTLAGSA-N 1 0 264.325 2.560 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459641244 245255480 /nfs/dbraw/zinc/25/54/80/245255480.db2.gz YISNJIYBRQEFDW-KLPPZKSPSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000008419238 371897615 /nfs/dbraw/zinc/89/76/15/371897615.db2.gz CMKHKIWAYYUSBD-UHFFFAOYSA-N 1 0 283.331 2.671 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000014218058 372064539 /nfs/dbraw/zinc/06/45/39/372064539.db2.gz FUQVTYUHGDKPBZ-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO CCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991612 372268220 /nfs/dbraw/zinc/26/82/20/372268220.db2.gz HMXMAKDPSMVALF-UHFFFAOYSA-N 1 0 299.758 2.919 20 5 CFBDRO Cc1ccc(C[NH2+]CCCOC(C)C)cc1[N+](=O)[O-] ZINC000034995776 372527720 /nfs/dbraw/zinc/52/77/20/372527720.db2.gz NMJOEXPVMVPXKX-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO C[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000036970430 372618264 /nfs/dbraw/zinc/61/82/64/372618264.db2.gz GGFLBVJWFFFAAY-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037140825 372653987 /nfs/dbraw/zinc/65/39/87/372653987.db2.gz KHKSYWACWIQDQS-GFCCVEGCSA-N 1 0 289.379 2.872 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000037155108 372657353 /nfs/dbraw/zinc/65/73/53/372657353.db2.gz SFVINVALBFUZMQ-WFASDCNBSA-N 1 0 288.351 2.921 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000037987976 372749702 /nfs/dbraw/zinc/74/97/02/372749702.db2.gz ITDYJLIDWBMGQZ-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000040770985 372787006 /nfs/dbraw/zinc/78/70/06/372787006.db2.gz WOAOHRKYNLPFFL-CQSZACIVSA-N 1 0 291.395 2.977 20 5 CFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000048579953 373202698 /nfs/dbraw/zinc/20/26/98/373202698.db2.gz NDZIXYLQZFEUDJ-UHFFFAOYSA-N 1 0 297.742 2.529 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553821 373310517 /nfs/dbraw/zinc/31/05/17/373310517.db2.gz ZFKNFRKANAZMAK-VXGBXAGGSA-N 1 0 265.357 2.586 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015615 373340578 /nfs/dbraw/zinc/34/05/78/373340578.db2.gz ZUDJQSDIYHIZBM-OCCSQVGLSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCCCCC1 ZINC000052812568 373450861 /nfs/dbraw/zinc/45/08/61/373450861.db2.gz RKETWWFYGFWGBT-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCCC[C@H]1C ZINC000052812207 373451720 /nfs/dbraw/zinc/45/17/20/373451720.db2.gz CXZPJWIJZBZXDT-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1ncsc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926313 373459756 /nfs/dbraw/zinc/45/97/56/373459756.db2.gz GWZAAMNNLFLRKF-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1CC1 ZINC000053184854 373468115 /nfs/dbraw/zinc/46/81/15/373468115.db2.gz DLTGGDPCVONKAO-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000571417566 383694105 /nfs/dbraw/zinc/69/41/05/383694105.db2.gz RRRUFWMCACTAMP-DOMZBBRYSA-N 1 0 289.379 2.514 20 5 CFBDRO CCOc1cc(NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000336831636 220245391 /nfs/dbraw/zinc/24/53/91/220245391.db2.gz JTDCESGSCJHNGV-LLVKDONJSA-N 1 0 281.356 2.603 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072975182 374306501 /nfs/dbraw/zinc/30/65/01/374306501.db2.gz MYZBINJXMDSMEQ-AWEZNQCLSA-N 1 0 278.352 2.843 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976517 374311035 /nfs/dbraw/zinc/31/10/35/374311035.db2.gz YXLLRNMKMYKQGA-CQSZACIVSA-N 1 0 278.352 2.843 20 5 CFBDRO Cc1cc(NCC[N@@H+](C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000073000425 374314137 /nfs/dbraw/zinc/31/41/37/374314137.db2.gz BLINOSOFYPRNJA-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287514 374411948 /nfs/dbraw/zinc/41/19/48/374411948.db2.gz CPKCEYZBNYPJOH-JKSUJKDBSA-N 1 0 292.379 2.763 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000076015457 374520130 /nfs/dbraw/zinc/52/01/30/374520130.db2.gz CODHKYMXOBNYKL-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1nnsc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000492379642 246273357 /nfs/dbraw/zinc/27/33/57/246273357.db2.gz XTPNDHQKOQKJPK-GQCTYLIASA-N 1 0 290.348 2.558 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCCCC2)cs1 ZINC000079619186 374622692 /nfs/dbraw/zinc/62/26/92/374622692.db2.gz YMUBAGPUUHNCQQ-UHFFFAOYSA-N 1 0 284.381 2.831 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079712697 374625940 /nfs/dbraw/zinc/62/59/40/374625940.db2.gz UXJPVOBIUZDVSQ-ZYHUDNBSSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079735441 374627870 /nfs/dbraw/zinc/62/78/70/374627870.db2.gz BMIQOTVZIGUFCD-DGCLKSJQSA-N 1 0 266.341 2.979 20 5 CFBDRO C[NH+](C)C(C)(C)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439703 374775942 /nfs/dbraw/zinc/77/59/42/374775942.db2.gz QBCIWLIIJGEILT-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CCn1cncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090172318 374996502 /nfs/dbraw/zinc/99/65/02/374996502.db2.gz HIEFQMWDZJLVKQ-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C)cc1 ZINC000090539224 375021766 /nfs/dbraw/zinc/02/17/66/375021766.db2.gz VIVCVIGKVWKBHJ-HNNXBMFYSA-N 1 0 288.351 2.841 20 5 CFBDRO Cc1ccc(C[N@H+](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000093284545 375203898 /nfs/dbraw/zinc/20/38/98/375203898.db2.gz HMCWSKIBMHQPKC-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094941718 375391321 /nfs/dbraw/zinc/39/13/21/375391321.db2.gz HYOZCTIRYUGJEI-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000094369106 375357216 /nfs/dbraw/zinc/35/72/16/375357216.db2.gz GEJYQRYVMVSEBV-CQSZACIVSA-N 1 0 290.363 2.829 20 5 CFBDRO CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774139 375377923 /nfs/dbraw/zinc/37/79/23/375377923.db2.gz TYBPOWVYLCUMIA-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797561 375379438 /nfs/dbraw/zinc/37/94/38/375379438.db2.gz NJAQPFHQDLIDPU-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000111404160 375844734 /nfs/dbraw/zinc/84/47/34/375844734.db2.gz IIIJSSVMKOCVKC-OAHLLOKOSA-N 1 0 280.368 2.790 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000112613625 375937429 /nfs/dbraw/zinc/93/74/29/375937429.db2.gz WDDSJPHCHNNOGT-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO C[NH+](C)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116351155 376179960 /nfs/dbraw/zinc/17/99/60/376179960.db2.gz SALFMDLPOXFTAM-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000119969837 376516762 /nfs/dbraw/zinc/51/67/62/376516762.db2.gz WNUJSKWMLPOHAW-LBPRGKRZSA-N 1 0 299.330 2.884 20 5 CFBDRO CC(C)CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120185181 376563876 /nfs/dbraw/zinc/56/38/76/376563876.db2.gz HRTBKWHVPJJGNS-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO CC(C)CO[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000120256580 376581309 /nfs/dbraw/zinc/58/13/09/376581309.db2.gz DWAPCAWXWQWVME-LBPRGKRZSA-N 1 0 296.342 2.981 20 5 CFBDRO C[N@H+](CCC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000120430896 376615053 /nfs/dbraw/zinc/61/50/53/376615053.db2.gz NZJSJSHMCLXIMK-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000124020930 377007995 /nfs/dbraw/zinc/00/79/95/377007995.db2.gz JFEXECPEZROADI-ZDUSSCGKSA-N 1 0 286.397 2.933 20 5 CFBDRO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000128457692 377339806 /nfs/dbraw/zinc/33/98/06/377339806.db2.gz UUOOXOKALKKGOC-UWVGGRQHSA-N 1 0 284.743 2.763 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000131100547 377659153 /nfs/dbraw/zinc/65/91/53/377659153.db2.gz JVSOUMKDDIXTCU-KBPBESRZSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000134404122 378010401 /nfs/dbraw/zinc/01/04/01/378010401.db2.gz OWIZDAOMLZNIFX-CQSZACIVSA-N 1 0 280.368 2.742 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000134234539 377995676 /nfs/dbraw/zinc/99/56/76/377995676.db2.gz ZHOSCWMHPURVKN-UHFFFAOYSA-N 1 0 272.304 2.899 20 5 CFBDRO CCOc1cccc(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000134913953 378062625 /nfs/dbraw/zinc/06/26/25/378062625.db2.gz KDFRYFBDYHZWAC-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO CC(C)CC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135310199 378115632 /nfs/dbraw/zinc/11/56/32/378115632.db2.gz YNGGMXYNCZSDCW-CYBMUJFWSA-N 1 0 280.372 2.692 20 5 CFBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135336928 378120136 /nfs/dbraw/zinc/12/01/36/378120136.db2.gz TVLKDGYZLFLEQT-CHWSQXEVSA-N 1 0 280.372 2.692 20 5 CFBDRO COc1ccc(C[NH2+]CC(C)(C)SC)cc1[N+](=O)[O-] ZINC000135382547 378125034 /nfs/dbraw/zinc/12/50/34/378125034.db2.gz AKBUUUUAAKJSLD-UHFFFAOYSA-N 1 0 284.381 2.835 20 5 CFBDRO CSC[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000135431469 378131510 /nfs/dbraw/zinc/13/15/10/378131510.db2.gz HDGYGUAZJHGYIA-CYBMUJFWSA-N 1 0 266.366 2.922 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152791921 378447629 /nfs/dbraw/zinc/44/76/29/378447629.db2.gz ROSHUNWWTLZEIR-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO COCCCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073962 378471888 /nfs/dbraw/zinc/47/18/88/378471888.db2.gz KTCBOQGRKUMTSP-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153851115 378516502 /nfs/dbraw/zinc/51/65/02/378516502.db2.gz PSNHZTAIRSLENQ-WFASDCNBSA-N 1 0 276.336 2.768 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCSc1ccc([N+](=O)[O-])cn1 ZINC000330524577 378577926 /nfs/dbraw/zinc/57/79/26/378577926.db2.gz POBCGHLMAQQDPR-LLVKDONJSA-N 1 0 281.381 2.956 20 5 CFBDRO C[C@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331072305 378626701 /nfs/dbraw/zinc/62/67/01/378626701.db2.gz SSICZMGOFJSZAO-GFCCVEGCSA-N 1 0 278.352 2.637 20 5 CFBDRO CCC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331023109 378615992 /nfs/dbraw/zinc/61/59/92/378615992.db2.gz ZUAVUGIDINJXJI-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331299097 378665158 /nfs/dbraw/zinc/66/51/58/378665158.db2.gz VFXHWLHZKMJBBF-XJKCOSOUSA-N 1 0 292.379 2.619 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417854 378686509 /nfs/dbraw/zinc/68/65/09/378686509.db2.gz DJNGOVAPHQZTGW-VHSXEESVSA-N 1 0 274.324 2.701 20 5 CFBDRO [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332309355 378746439 /nfs/dbraw/zinc/74/64/39/378746439.db2.gz OWSCYQCGGKXMLJ-OWCLPIDISA-N 1 0 289.379 2.832 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H]1CCCO1)CC2 ZINC000332112454 378726869 /nfs/dbraw/zinc/72/68/69/378726869.db2.gz CAOXZYGEFAEOBT-OAHLLOKOSA-N 1 0 276.336 2.522 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278605015 194065091 /nfs/dbraw/zinc/06/50/91/194065091.db2.gz GAPDMCIGPLZHTR-VHSXEESVSA-N 1 0 276.340 2.995 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3CC=CCC3)nc2c1 ZINC000278689747 194104955 /nfs/dbraw/zinc/10/49/55/194104955.db2.gz MTWRIZWKCAOUFZ-NSHDSACASA-N 1 0 286.335 2.917 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168536793 379089541 /nfs/dbraw/zinc/08/95/41/379089541.db2.gz NVVBGZKZJLJBEZ-RYUDHWBXSA-N 1 0 265.357 2.504 20 5 CFBDRO C[C@H](O)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000278713728 194116716 /nfs/dbraw/zinc/11/67/16/194116716.db2.gz IGFBFQQPIZZQCX-STQMWFEESA-N 1 0 280.368 2.667 20 5 CFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000339360597 220263804 /nfs/dbraw/zinc/26/38/04/220263804.db2.gz JJZQSWZNUPKHET-ZETCQYMHSA-N 1 0 282.325 2.752 20 5 CFBDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278793781 194158184 /nfs/dbraw/zinc/15/81/84/194158184.db2.gz QOPFEQVUOVMZQQ-HUUCEWRRSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC2CC2)CC1 ZINC000170981906 379205004 /nfs/dbraw/zinc/20/50/04/379205004.db2.gz URHKYHDVYLJAMT-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCCCO ZINC000278937840 194220135 /nfs/dbraw/zinc/22/01/35/194220135.db2.gz UDCNEHZOHRPJEV-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000174823587 379948508 /nfs/dbraw/zinc/94/85/08/379948508.db2.gz RAQMEBFEXUYKHN-OAHLLOKOSA-N 1 0 292.383 2.836 20 5 CFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176200167 380193825 /nfs/dbraw/zinc/19/38/25/380193825.db2.gz UFEGMXHFHUCNLD-UHFFFAOYSA-N 1 0 288.351 2.702 20 5 CFBDRO C[C@H]1CCSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279151796 194307861 /nfs/dbraw/zinc/30/78/61/194307861.db2.gz APKVGXXXKBNJFK-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO C[C@H](O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000279199506 194328919 /nfs/dbraw/zinc/32/89/19/194328919.db2.gz XFCRZDQBIBBUDM-XHDPSFHLSA-N 1 0 278.352 2.723 20 5 CFBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287433069 380831784 /nfs/dbraw/zinc/83/17/84/380831784.db2.gz PQAMWXYIODAZIV-SNVBAGLBSA-N 1 0 286.759 2.841 20 5 CFBDRO C[C@H](C[NH3+])N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347021811 380885957 /nfs/dbraw/zinc/88/59/57/380885957.db2.gz NSQXTCUCYJZSAS-LLVKDONJSA-N 1 0 289.335 2.634 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000368101362 380924308 /nfs/dbraw/zinc/92/43/08/380924308.db2.gz SVOKMFPFYDIAEJ-BPLDGKMQSA-N 1 0 276.336 2.503 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000341322168 380933582 /nfs/dbraw/zinc/93/35/82/380933582.db2.gz BABYRHBIZCZEFG-SCVCMEIPSA-N 1 0 266.341 2.713 20 5 CFBDRO Nc1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000287827650 380948774 /nfs/dbraw/zinc/94/87/74/380948774.db2.gz QQKZFVSUUSMWRZ-ZDUSSCGKSA-N 1 0 290.367 2.606 20 5 CFBDRO CC1CCC2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368396223 381011622 /nfs/dbraw/zinc/01/16/22/381011622.db2.gz ANOHDYIXQCWOMS-UHFFFAOYSA-N 1 0 292.383 2.694 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000279292063 194370689 /nfs/dbraw/zinc/37/06/89/194370689.db2.gz PKKRJKMRDBHMCL-NEPJUHHUSA-N 1 0 264.325 2.752 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411943007 381066131 /nfs/dbraw/zinc/06/61/31/381066131.db2.gz MKZKDDTZOUAHFL-IRXDYDNUSA-N 1 0 298.342 2.903 20 5 CFBDRO COCCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347350350 381088847 /nfs/dbraw/zinc/08/88/47/381088847.db2.gz AKGHPJGZWWZMSX-JLHYYAGUSA-N 1 0 278.352 2.966 20 5 CFBDRO COC1([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412023285 381097825 /nfs/dbraw/zinc/09/78/25/381097825.db2.gz XGPWUVQBRPUWIG-GFCCVEGCSA-N 1 0 294.351 2.521 20 5 CFBDRO COC[C@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347365056 381101685 /nfs/dbraw/zinc/10/16/85/381101685.db2.gz SMLLKLNJHIEKPF-FSBNRTBOSA-N 1 0 278.352 2.965 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000347375709 381108106 /nfs/dbraw/zinc/10/81/06/381108106.db2.gz KFVBVTLDRUAMRG-CSPHYMHISA-N 1 0 290.363 2.701 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000347384764 381113378 /nfs/dbraw/zinc/11/33/78/381113378.db2.gz XVNWMWGRAZRZMC-KANSDYPASA-N 1 0 290.363 2.701 20 5 CFBDRO COC1CC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347385995 381115805 /nfs/dbraw/zinc/11/58/05/381115805.db2.gz AUCISOSSRDMXEC-UHFFFAOYSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000182623792 381121307 /nfs/dbraw/zinc/12/13/07/381121307.db2.gz CZSBPMYJWDHFDJ-CQSZACIVSA-N 1 0 291.395 2.990 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000182652800 381128568 /nfs/dbraw/zinc/12/85/68/381128568.db2.gz XPLBDRCUHOJPMM-ZDUSSCGKSA-N 1 0 291.395 2.990 20 5 CFBDRO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000341713426 381186559 /nfs/dbraw/zinc/18/65/59/381186559.db2.gz NNXRDQJAKKCOOQ-UHFFFAOYSA-N 1 0 270.354 2.705 20 5 CFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000296091252 381251263 /nfs/dbraw/zinc/25/12/63/381251263.db2.gz RDWQPERKXPVSPQ-CYBMUJFWSA-N 1 0 289.379 2.511 20 5 CFBDRO CC[C@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000359082202 381254039 /nfs/dbraw/zinc/25/40/39/381254039.db2.gz LLPWTQOUQANPFB-CYBMUJFWSA-N 1 0 292.383 2.893 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000359086608 381256991 /nfs/dbraw/zinc/25/69/91/381256991.db2.gz VXRFMZDNKOHADZ-QWHCGFSZSA-N 1 0 290.367 2.645 20 5 CFBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000347617264 381259573 /nfs/dbraw/zinc/25/95/73/381259573.db2.gz NSXBVTJJXBQJSJ-NWDGAFQWSA-N 1 0 294.399 2.975 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOCC1CC1 ZINC000183384144 381264360 /nfs/dbraw/zinc/26/43/60/381264360.db2.gz VSSULOWSANJDKA-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000296125194 381266712 /nfs/dbraw/zinc/26/67/12/381266712.db2.gz WFNWULQTUOPSCM-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369464655 381267334 /nfs/dbraw/zinc/26/73/34/381267334.db2.gz FXWQRJPDYQTJPT-CABCVRRESA-N 1 0 276.336 2.738 20 5 CFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000354352858 381221749 /nfs/dbraw/zinc/22/17/49/381221749.db2.gz RTMVHWMAYBCSLS-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354354979 381221786 /nfs/dbraw/zinc/22/17/86/381221786.db2.gz SHIBQLXPVDFYIN-OLZOCXBDSA-N 1 0 277.368 2.904 20 5 CFBDRO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296184162 381290770 /nfs/dbraw/zinc/29/07/70/381290770.db2.gz YANPDNONDNKDBL-STQMWFEESA-N 1 0 288.351 2.921 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290095417 381298057 /nfs/dbraw/zinc/29/80/57/381298057.db2.gz HQDMPXMULBOLAO-CHWSQXEVSA-N 1 0 279.384 2.974 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342313483 381271833 /nfs/dbraw/zinc/27/18/33/381271833.db2.gz XLPYPUSRACXAQS-RYUDHWBXSA-N 1 0 252.289 2.883 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000369676596 381312583 /nfs/dbraw/zinc/31/25/83/381312583.db2.gz QTLUMHWEYGSJEK-CYBMUJFWSA-N 1 0 290.367 2.785 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000184015962 381355010 /nfs/dbraw/zinc/35/50/10/381355010.db2.gz PNCFFACSFVMQPU-HNNXBMFYSA-N 1 0 288.351 2.612 20 5 CFBDRO CCC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000342588238 381417558 /nfs/dbraw/zinc/41/75/58/381417558.db2.gz CJWYLHDFZQSYFC-UHFFFAOYSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000296435307 381394360 /nfs/dbraw/zinc/39/43/60/381394360.db2.gz MAHUCHXVWWUDEN-LLVKDONJSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348328063 381510787 /nfs/dbraw/zinc/51/07/87/381510787.db2.gz GCTVPMBQQCQNPY-BKDNQFJXSA-N 1 0 256.252 2.899 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000296654790 381492990 /nfs/dbraw/zinc/49/29/90/381492990.db2.gz ZFQDTGIJSTXTDS-UWJYBYFXSA-N 1 0 288.294 2.650 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000290624732 381503110 /nfs/dbraw/zinc/50/31/10/381503110.db2.gz DROLPZMKRTUPCX-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO CC(=O)c1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000342837386 381577017 /nfs/dbraw/zinc/57/70/17/381577017.db2.gz XOSJRZKLDYORCC-IINYFYTJSA-N 1 0 291.351 2.692 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000414957024 381649453 /nfs/dbraw/zinc/64/94/53/381649453.db2.gz PESWQIWJHCXNNJ-MRXNPFEDSA-N 1 0 297.358 2.571 20 5 CFBDRO CCOC(=O)CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343437551 381709089 /nfs/dbraw/zinc/70/90/89/381709089.db2.gz MWUGCQIOOATPOR-NSHDSACASA-N 1 0 280.324 2.541 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415007585 381700919 /nfs/dbraw/zinc/70/09/19/381700919.db2.gz LOSJNEVLCUKLBE-GHMZBOCLSA-N 1 0 289.335 2.680 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000291265054 381729312 /nfs/dbraw/zinc/72/93/12/381729312.db2.gz ZJITWACRYQSKDH-SECBINFHSA-N 1 0 272.374 2.584 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000348836481 381730473 /nfs/dbraw/zinc/73/04/73/381730473.db2.gz WPPJECYWPLDAIM-VFFGBVLKSA-N 1 0 264.325 2.575 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000360034780 381741499 /nfs/dbraw/zinc/74/14/99/381741499.db2.gz FSLAMERPSSDFAP-CYZMBNFOSA-N 1 0 296.392 2.950 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770042 381829158 /nfs/dbraw/zinc/82/91/58/381829158.db2.gz WRMSFCLGYNCICV-DGCLKSJQSA-N 1 0 295.358 2.819 20 5 CFBDRO COc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000343609327 381837804 /nfs/dbraw/zinc/83/78/04/381837804.db2.gz RSBDYFYEIKLGMW-KOLCDFICSA-N 1 0 297.330 2.637 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000292882160 381882521 /nfs/dbraw/zinc/88/25/21/381882521.db2.gz CBTHHIMWDAAHRN-SWLSCSKDSA-N 1 0 278.352 2.544 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000349318349 381886298 /nfs/dbraw/zinc/88/62/98/381886298.db2.gz BPILWDSMYKPHAG-DIABFLQPSA-N 1 0 278.352 2.881 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCOCC1 ZINC000361744520 381859459 /nfs/dbraw/zinc/85/94/59/381859459.db2.gz NGJKLSFWCLNHQU-GFCCVEGCSA-N 1 0 264.325 2.687 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000343984519 382048027 /nfs/dbraw/zinc/04/80/27/382048027.db2.gz VEXFNWCNMSJYRU-NSHDSACASA-N 1 0 298.774 2.930 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000293270651 382055860 /nfs/dbraw/zinc/05/58/60/382055860.db2.gz NLPIXMPXWFGVBQ-UHFFFAOYSA-N 1 0 296.367 2.898 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000374874127 382060468 /nfs/dbraw/zinc/06/04/68/382060468.db2.gz JSFBFKGPNOIPSR-YPMHNXCESA-N 1 0 278.352 2.933 20 5 CFBDRO CC(C)[C@@]1(CO)CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000293177293 382018933 /nfs/dbraw/zinc/01/89/33/382018933.db2.gz VRYQLDQARZQVPC-AWEZNQCLSA-N 1 0 298.408 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC1)CCCC2 ZINC000417306740 382035157 /nfs/dbraw/zinc/03/51/57/382035157.db2.gz DUKUQEKEEARKRI-DOMZBBRYSA-N 1 0 276.336 2.741 20 5 CFBDRO COc1cc(C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000351977860 382103844 /nfs/dbraw/zinc/10/38/44/382103844.db2.gz KRURWOUCVVCPBN-UHFFFAOYSA-N 1 0 264.325 2.979 20 5 CFBDRO COc1cc(C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000351978093 382104028 /nfs/dbraw/zinc/10/40/28/382104028.db2.gz MPRDBKCWIYYTAJ-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344093216 382124253 /nfs/dbraw/zinc/12/42/53/382124253.db2.gz DVHLQGLAXSISQB-LEWSCRJBSA-N 1 0 278.352 2.744 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000357237434 382072593 /nfs/dbraw/zinc/07/25/93/382072593.db2.gz LVFVFZBPSKSIPX-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362454878 382079670 /nfs/dbraw/zinc/07/96/70/382079670.db2.gz RBAJXNZJXBTWCT-SMDDNHRTSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000301125216 382087798 /nfs/dbraw/zinc/08/77/98/382087798.db2.gz ZYONYQJURKIEGW-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO CCn1cncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000417990576 382097877 /nfs/dbraw/zinc/09/78/77/382097877.db2.gz MHYVXJGEKZSDIO-UHFFFAOYSA-N 1 0 288.351 2.836 20 5 CFBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301182998 382099335 /nfs/dbraw/zinc/09/93/35/382099335.db2.gz INIPWMCGMQMWHG-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301603616 382179915 /nfs/dbraw/zinc/17/99/15/382179915.db2.gz LDOCEVGJJIKVFV-CYBMUJFWSA-N 1 0 277.368 2.985 20 5 CFBDRO CC1(C)[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000352013155 382130715 /nfs/dbraw/zinc/13/07/15/382130715.db2.gz ICODKSGGGWZPPD-PHIMTYICSA-N 1 0 282.290 2.961 20 5 CFBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301290026 382138486 /nfs/dbraw/zinc/13/84/86/382138486.db2.gz TVBHWVUIQUUOGC-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO Cc1ccnc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301293845 382140680 /nfs/dbraw/zinc/14/06/80/382140680.db2.gz OLGCTYHCWMPSGK-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301872395 382197137 /nfs/dbraw/zinc/19/71/37/382197137.db2.gz JBMGRFHZRKCYER-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO CCOc1cc(C[N@H+](C)C2CC(OC)C2)ccc1[N+](=O)[O-] ZINC000352205255 382227037 /nfs/dbraw/zinc/22/70/37/382227037.db2.gz ZTEWUWXNUYZSLU-UHFFFAOYSA-N 1 0 294.351 2.603 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000357699913 382284857 /nfs/dbraw/zinc/28/48/57/382284857.db2.gz DAXQFBNPVUQOOU-CQSZACIVSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000187674024 382242271 /nfs/dbraw/zinc/24/22/71/382242271.db2.gz SACGKGWKCROSMR-GLQYFDAESA-N 1 0 292.379 2.665 20 5 CFBDRO CCC[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187697475 382252101 /nfs/dbraw/zinc/25/21/01/382252101.db2.gz POUGXSRPPUSXRF-NEPJUHHUSA-N 1 0 278.356 2.665 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352400283 382308497 /nfs/dbraw/zinc/30/84/97/382308497.db2.gz QZDAYCBIAQHBDI-LBPRGKRZSA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000187964477 382311905 /nfs/dbraw/zinc/31/19/05/382311905.db2.gz UAZPAWRYQWHCCR-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO COC1(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000293866008 382314186 /nfs/dbraw/zinc/31/41/86/382314186.db2.gz ZHECEWJYJXSIAA-NSHDSACASA-N 1 0 293.367 2.787 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000420293090 382344879 /nfs/dbraw/zinc/34/48/79/382344879.db2.gz XKOGMPWOLZSOAU-ZJUUUORDSA-N 1 0 267.304 2.663 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420234957 382336957 /nfs/dbraw/zinc/33/69/57/382336957.db2.gz HWKDCDLIBLSQCD-QWRGUYRKSA-N 1 0 286.335 2.825 20 5 CFBDRO CO[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000293833196 382298185 /nfs/dbraw/zinc/29/81/85/382298185.db2.gz XERJWZXUEYWNIU-JKSUJKDBSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420345537 382377275 /nfs/dbraw/zinc/37/72/75/382377275.db2.gz ZSPIXQWQLIDUMO-DOMZBBRYSA-N 1 0 295.358 2.598 20 5 CFBDRO Cc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352534613 382382530 /nfs/dbraw/zinc/38/25/30/382382530.db2.gz ILHIYENEBFMONU-CQSZACIVSA-N 1 0 277.368 2.607 20 5 CFBDRO COc1cc(C[N@@H+]2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352545473 382390075 /nfs/dbraw/zinc/39/00/75/382390075.db2.gz JEVAAKLPHPCIHD-UHFFFAOYSA-N 1 0 296.392 2.931 20 5 CFBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352545254 382390449 /nfs/dbraw/zinc/39/04/49/382390449.db2.gz HUANZGIUTHYBKQ-WCQYABFASA-N 1 0 264.325 2.685 20 5 CFBDRO COc1cc(C[N@H+](C)CCCOC(C)C)ccc1[N+](=O)[O-] ZINC000352546460 382391452 /nfs/dbraw/zinc/39/14/52/382391452.db2.gz VNXIBALHSDSQMO-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO Cc1cc(NC2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000420621625 382431001 /nfs/dbraw/zinc/43/10/01/382431001.db2.gz DMMBAMLBGPIOHX-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000352779844 382470361 /nfs/dbraw/zinc/47/03/61/382470361.db2.gz RCBSEGAKFVBUES-JMSVASOKSA-N 1 0 278.352 2.667 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000352730603 382463500 /nfs/dbraw/zinc/46/35/00/382463500.db2.gz FTXFHUWFISBZSH-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000188862850 382494247 /nfs/dbraw/zinc/49/42/47/382494247.db2.gz CVRMYXUWASKIKG-AWEZNQCLSA-N 1 0 266.341 2.746 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308400436 382474587 /nfs/dbraw/zinc/47/45/87/382474587.db2.gz WDRJWKCEIXTSLI-UONOGXRCSA-N 1 0 276.336 2.642 20 5 CFBDRO CCOC1CC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000188781498 382475786 /nfs/dbraw/zinc/47/57/86/382475786.db2.gz DWCGLPRNCKSOEL-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000366177767 382480238 /nfs/dbraw/zinc/48/02/38/382480238.db2.gz LBEINTHYKVFUQV-CQSZACIVSA-N 1 0 295.770 2.780 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358174073 382486283 /nfs/dbraw/zinc/48/62/83/382486283.db2.gz WOXMDAOXVKTIBT-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212137 382508506 /nfs/dbraw/zinc/50/85/06/382508506.db2.gz RRRDOASHQJVTBP-LSDHHAIUSA-N 1 0 296.342 2.859 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000346799626 382516954 /nfs/dbraw/zinc/51/69/54/382516954.db2.gz WBOUVDXOVSISFH-CYBMUJFWSA-N 1 0 296.367 2.754 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000295006707 382560812 /nfs/dbraw/zinc/56/08/12/382560812.db2.gz IZEMNUGGXMZPPI-LLVKDONJSA-N 1 0 282.365 2.541 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000295143418 382577964 /nfs/dbraw/zinc/57/79/64/382577964.db2.gz CMESZICJJGKHQH-GWCFXTLKSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000358361395 382588215 /nfs/dbraw/zinc/58/82/15/382588215.db2.gz WUPWKLWEAZZEHQ-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)CO ZINC000295329117 382618259 /nfs/dbraw/zinc/61/82/59/382618259.db2.gz XATZCCBNEDGIJC-NSHDSACASA-N 1 0 266.341 2.606 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189680904 382634781 /nfs/dbraw/zinc/63/47/81/382634781.db2.gz ITMKJMZKNDOKIS-SNVBAGLBSA-N 1 0 286.401 2.974 20 5 CFBDRO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)nc2)s1 ZINC000190312495 382661725 /nfs/dbraw/zinc/66/17/25/382661725.db2.gz TVRDWJLBPMVPKG-UHFFFAOYSA-N 1 0 291.336 2.790 20 5 CFBDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000190833584 382681788 /nfs/dbraw/zinc/68/17/88/382681788.db2.gz ZBFHHCBPIUBMMP-SECBINFHSA-N 1 0 274.267 2.527 20 5 CFBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190915618 382684972 /nfs/dbraw/zinc/68/49/72/382684972.db2.gz OBQVLCJKECCJPG-OCCSQVGLSA-N 1 0 264.325 2.560 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CCCCC1 ZINC000191297627 382697901 /nfs/dbraw/zinc/69/79/01/382697901.db2.gz UCOWMQUQPMHATP-MRXNPFEDSA-N 1 0 292.379 2.968 20 5 CFBDRO COCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592682 382710446 /nfs/dbraw/zinc/71/04/46/382710446.db2.gz QKGRWUIARLNQMJ-CQSZACIVSA-N 1 0 264.325 2.598 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858519 382713021 /nfs/dbraw/zinc/71/30/21/382713021.db2.gz RWJGIZSYIDRKQR-HIFRSBDPSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000192888659 382713385 /nfs/dbraw/zinc/71/33/85/382713385.db2.gz XFAPDTPVBWSMSK-BFQNTYOBSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193376480 382719467 /nfs/dbraw/zinc/71/94/67/382719467.db2.gz HNTKDPLJCJZQSS-GFCCVEGCSA-N 1 0 292.383 2.853 20 5 CFBDRO CSC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000193659519 382722230 /nfs/dbraw/zinc/72/22/30/382722230.db2.gz DKAOAEWYMSLPTP-UHFFFAOYSA-N 1 0 266.366 2.888 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193967487 382731420 /nfs/dbraw/zinc/73/14/20/382731420.db2.gz ZNWMYCFDRKRCKE-GHMZBOCLSA-N 1 0 291.307 2.735 20 5 CFBDRO C[NH+]1CCC(CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000336843149 382732328 /nfs/dbraw/zinc/73/23/28/382732328.db2.gz WBBVXDGNQLLIEF-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000220349909 382795693 /nfs/dbraw/zinc/79/56/93/382795693.db2.gz RBLKYDXFQBQGGC-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CCC[C@@H](NCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000212226692 382776141 /nfs/dbraw/zinc/77/61/41/382776141.db2.gz ROAWGTUKMAJFBQ-OAHLLOKOSA-N 1 0 288.351 2.959 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)COC(C)C ZINC000337268810 382790140 /nfs/dbraw/zinc/79/01/40/382790140.db2.gz YCOALUIYFADCKG-LLVKDONJSA-N 1 0 282.340 2.507 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219195173 382792390 /nfs/dbraw/zinc/79/23/90/382792390.db2.gz VBOZBCLXMGQULK-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000219215613 382792823 /nfs/dbraw/zinc/79/28/23/382792823.db2.gz ARHOOAALNUHQEE-LNSITVRQSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000222115203 382800785 /nfs/dbraw/zinc/80/07/85/382800785.db2.gz FYMWWAGFNRGTSX-UHFFFAOYSA-N 1 0 286.331 2.685 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223518666 382805664 /nfs/dbraw/zinc/80/56/64/382805664.db2.gz ZSZRXEWTIBELEJ-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000224107881 382809508 /nfs/dbraw/zinc/80/95/08/382809508.db2.gz PMOXNMHMOQZGBW-NSHDSACASA-N 1 0 288.351 2.796 20 5 CFBDRO CCC[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000337361113 382809728 /nfs/dbraw/zinc/80/97/28/382809728.db2.gz GAKQYUISEMOZGW-NSHDSACASA-N 1 0 266.345 2.617 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000224483382 382810957 /nfs/dbraw/zinc/81/09/57/382810957.db2.gz SJIUJTAHPMMYQW-LLVKDONJSA-N 1 0 266.366 2.746 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000224427882 382811092 /nfs/dbraw/zinc/81/10/92/382811092.db2.gz LVTACBFRRPMUOU-ZLKJLUDKSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000229327814 382850997 /nfs/dbraw/zinc/85/09/97/382850997.db2.gz ALNHNHVNFROBCC-NSHDSACASA-N 1 0 263.341 2.798 20 5 CFBDRO CCC(CC)(CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576360167 382820420 /nfs/dbraw/zinc/82/04/20/382820420.db2.gz QLTBYFLEQXYASH-AWEZNQCLSA-N 1 0 292.379 2.970 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000337474506 382827205 /nfs/dbraw/zinc/82/72/05/382827205.db2.gz RFIKETZJVUXRGR-ZYHUDNBSSA-N 1 0 264.325 2.882 20 5 CFBDRO C[N@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227118878 382833980 /nfs/dbraw/zinc/83/39/80/382833980.db2.gz VMTSEFVPLDLJIR-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227372413 382836886 /nfs/dbraw/zinc/83/68/86/382836886.db2.gz NHCIJQIPIHPAIX-JTQLQIEISA-N 1 0 272.370 2.543 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227649261 382839023 /nfs/dbraw/zinc/83/90/23/382839023.db2.gz XRFPYMXYFGUHJQ-UHFFFAOYSA-N 1 0 286.763 2.785 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000227685279 382839534 /nfs/dbraw/zinc/83/95/34/382839534.db2.gz PUMFEBRMURYHCN-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887532 382842221 /nfs/dbraw/zinc/84/22/21/382842221.db2.gz FCALAVDQEOLYOK-UHFFFAOYSA-N 1 0 273.283 2.625 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCSC2)c1 ZINC000230704964 382862688 /nfs/dbraw/zinc/86/26/88/382862688.db2.gz GBIJMNPVJKEGCU-VIFPVBQESA-N 1 0 272.757 2.843 20 5 CFBDRO Cc1c[nH+]ccc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000337797207 382865942 /nfs/dbraw/zinc/86/59/42/382865942.db2.gz GOWXJBMJXJHOEH-UHFFFAOYSA-N 1 0 271.320 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCCC2)cc1 ZINC000337801996 382866497 /nfs/dbraw/zinc/86/64/97/382866497.db2.gz IVYCZWKPUNLQMX-AWEZNQCLSA-N 1 0 278.352 2.626 20 5 CFBDRO [NH3+]CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000231784467 382866940 /nfs/dbraw/zinc/86/69/40/382866940.db2.gz OIZKMHPDPVVQIL-UHFFFAOYSA-N 1 0 291.376 2.617 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000233778918 382872179 /nfs/dbraw/zinc/87/21/79/382872179.db2.gz KYNCSSVCEXRYRI-ZDUSSCGKSA-N 1 0 284.331 2.885 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(SC)CCC1 ZINC000234885972 382875247 /nfs/dbraw/zinc/87/52/47/382875247.db2.gz HSMWWADPOBZCHF-UHFFFAOYSA-N 1 0 296.392 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCCC[NH2+]C1)CCC2 ZINC000578185430 382897241 /nfs/dbraw/zinc/89/72/41/382897241.db2.gz CVHZWSQWURJGLF-BBRMVZONSA-N 1 0 289.379 2.704 20 5 CFBDRO COC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000578205356 382900941 /nfs/dbraw/zinc/90/09/41/382900941.db2.gz OHRQHKCJBYMXQV-CYBMUJFWSA-N 1 0 276.336 2.741 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000280237836 194761356 /nfs/dbraw/zinc/76/13/56/194761356.db2.gz JWEMTSJQNXSJTP-GWCFXTLKSA-N 1 0 298.770 2.805 20 5 CFBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441436435 382913987 /nfs/dbraw/zinc/91/39/87/382913987.db2.gz ODJBKERDIKKPPI-NWDGAFQWSA-N 1 0 294.351 2.713 20 5 CFBDRO CCN(CC)[C@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236867434 382925200 /nfs/dbraw/zinc/92/52/00/382925200.db2.gz MNRGWDNSTYLZOZ-QSYFUGGGSA-N 1 0 291.395 2.928 20 5 CFBDRO C[C@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772557 382980021 /nfs/dbraw/zinc/98/00/21/382980021.db2.gz FZCFHMIGMHPTRC-STQMWFEESA-N 1 0 290.363 2.768 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000551275011 383038730 /nfs/dbraw/zinc/03/87/30/383038730.db2.gz XUDJZISFHNYJSC-XHDPSFHLSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCCCC[NH+]2CCCC2)n1 ZINC000338757109 383040449 /nfs/dbraw/zinc/04/04/49/383040449.db2.gz NWSYYXBADNIMRP-UHFFFAOYSA-N 1 0 292.383 2.976 20 5 CFBDRO CCOc1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338795457 383053693 /nfs/dbraw/zinc/05/36/93/383053693.db2.gz PLSPFCYSYFYJNU-VXGBXAGGSA-N 1 0 293.367 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccnc1 ZINC000579977394 383073739 /nfs/dbraw/zinc/07/37/39/383073739.db2.gz CYDZRLBSJNAHOJ-AWEZNQCLSA-N 1 0 269.304 2.767 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000246922308 383121617 /nfs/dbraw/zinc/12/16/17/383121617.db2.gz GMXLUFPWXZPNNM-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339064570 383137414 /nfs/dbraw/zinc/13/74/14/383137414.db2.gz MRTRNIOTNLIQES-JTQLQIEISA-N 1 0 264.325 2.921 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000338974806 383106208 /nfs/dbraw/zinc/10/62/08/383106208.db2.gz UKJBYXFXYBATNK-LBPRGKRZSA-N 1 0 266.341 2.950 20 5 CFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247489411 383176936 /nfs/dbraw/zinc/17/69/36/383176936.db2.gz GPSPAFHQLGLIAV-IUODEOHRSA-N 1 0 278.352 2.637 20 5 CFBDRO CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566806613 383213696 /nfs/dbraw/zinc/21/36/96/383213696.db2.gz TZSSXNLWILPHFT-SMDDNHRTSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1cnc(OC[C@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000339115291 383155043 /nfs/dbraw/zinc/15/50/43/383155043.db2.gz NPGMRJQKQGEEMG-CYBMUJFWSA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1 ZINC000449064543 383157970 /nfs/dbraw/zinc/15/79/70/383157970.db2.gz QLOMGKSQELWGCV-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccs1 ZINC000449085550 383169205 /nfs/dbraw/zinc/16/92/05/383169205.db2.gz OFIORXNEETYSDT-SNVBAGLBSA-N 1 0 277.349 2.772 20 5 CFBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449391076 383259627 /nfs/dbraw/zinc/25/96/27/383259627.db2.gz HPULRSMUXCSBQL-HNNXBMFYSA-N 1 0 278.352 2.762 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000248699907 383281499 /nfs/dbraw/zinc/28/14/99/383281499.db2.gz ZLBCVSQUYAHCIR-GXTWGEPZSA-N 1 0 278.352 2.639 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248358400 383228355 /nfs/dbraw/zinc/22/83/55/383228355.db2.gz QSTVUNCGAJUJCI-NEPJUHHUSA-N 1 0 264.325 2.704 20 5 CFBDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000449349530 383232301 /nfs/dbraw/zinc/23/23/01/383232301.db2.gz QGYMAXWIEMHLAM-JTQLQIEISA-N 1 0 272.308 2.544 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449356017 383235974 /nfs/dbraw/zinc/23/59/74/383235974.db2.gz FHRZYMOULOVFFB-CHWSQXEVSA-N 1 0 280.368 2.524 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492091 383329825 /nfs/dbraw/zinc/32/98/25/383329825.db2.gz BFCLWBCHFMXSDO-WFASDCNBSA-N 1 0 278.352 2.760 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249246492 383334605 /nfs/dbraw/zinc/33/46/05/383334605.db2.gz BEPZSHVMAYXBRW-RRFJBIMHSA-N 1 0 276.336 2.560 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449503358 383340393 /nfs/dbraw/zinc/34/03/93/383340393.db2.gz PLAHQNNGNVLIDH-QMTHXVAHSA-N 1 0 282.315 2.591 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827253 383345844 /nfs/dbraw/zinc/34/58/44/383345844.db2.gz UWUSYFFMJCWPCL-RNCFNFMXSA-N 1 0 279.315 2.629 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(C)(C)CO ZINC000449430291 383290224 /nfs/dbraw/zinc/29/02/24/383290224.db2.gz VUXOSIHQHKINNB-JYRVWZFOSA-N 1 0 292.379 2.948 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000252413697 383406931 /nfs/dbraw/zinc/40/69/31/383406931.db2.gz RBCCXZFGYWSBFA-MISXGVKJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000251243336 383386455 /nfs/dbraw/zinc/38/64/55/383386455.db2.gz GSTNXFALBACUSM-OLZOCXBDSA-N 1 0 277.368 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000253092354 383443136 /nfs/dbraw/zinc/44/31/36/383443136.db2.gz KVYNTQPJMTZVMY-ARFHVFGLSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000568979981 383455218 /nfs/dbraw/zinc/45/52/18/383455218.db2.gz RMCVVXSBHGUICX-OAHLLOKOSA-N 1 0 283.331 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000569007230 383460843 /nfs/dbraw/zinc/46/08/43/383460843.db2.gz FMHAPKNEZJDEPE-BBRMVZONSA-N 1 0 290.363 2.504 20 5 CFBDRO CCC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604112 383477940 /nfs/dbraw/zinc/47/79/40/383477940.db2.gz VPIOVEKQGPHUSR-AWEZNQCLSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567702 383546421 /nfs/dbraw/zinc/54/64/21/383546421.db2.gz YALJLKJSVUSUHJ-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCCO3)C2)cc1 ZINC000451551234 383643425 /nfs/dbraw/zinc/64/34/25/383643425.db2.gz TYPVIVGLQOIQBN-HOCLYGCPSA-N 1 0 290.363 2.953 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000570930960 383649046 /nfs/dbraw/zinc/64/90/46/383649046.db2.gz KBRUYMIDCNYOTE-NSHDSACASA-N 1 0 296.346 2.805 20 5 CFBDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000280910604 195025361 /nfs/dbraw/zinc/02/53/61/195025361.db2.gz GLQWFPYGZISYGU-CYBMUJFWSA-N 1 0 275.352 2.507 20 5 CFBDRO Cc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263220472 383656472 /nfs/dbraw/zinc/65/64/72/383656472.db2.gz LTIOTLJTNIAVHI-IUODEOHRSA-N 1 0 291.351 2.749 20 5 CFBDRO CCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000451433704 383614670 /nfs/dbraw/zinc/61/46/70/383614670.db2.gz HBPHKEBRFAGWBP-NSHDSACASA-N 1 0 268.361 2.596 20 5 CFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451486333 383625607 /nfs/dbraw/zinc/62/56/07/383625607.db2.gz DSLOJCODIAFMTG-UONOGXRCSA-N 1 0 294.351 2.507 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451501642 383629655 /nfs/dbraw/zinc/62/96/55/383629655.db2.gz OTMNYMAPXFEJKA-CUOATXAZSA-N 1 0 296.342 2.883 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451501641 383629663 /nfs/dbraw/zinc/62/96/63/383629663.db2.gz OTMNYMAPXFEJKA-BIGNPOOSSA-N 1 0 296.342 2.883 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000436312636 383805069 /nfs/dbraw/zinc/80/50/69/383805069.db2.gz NSVCJZKENYBONX-NSHDSACASA-N 1 0 292.383 2.705 20 5 CFBDRO CC1=CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000436251207 383792123 /nfs/dbraw/zinc/79/21/23/383792123.db2.gz DVUFVZHGXIFKNH-UHFFFAOYSA-N 1 0 289.335 2.575 20 5 CFBDRO CC/C=C\C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453323847 383844430 /nfs/dbraw/zinc/84/44/30/383844430.db2.gz QFSGYRCNQLCTAD-NAFLWYGVSA-N 1 0 278.356 2.831 20 5 CFBDRO CC[C@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000265234099 383868679 /nfs/dbraw/zinc/86/86/79/383868679.db2.gz NNONPSMEFJKEJB-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281003653 195065214 /nfs/dbraw/zinc/06/52/14/195065214.db2.gz KXFZWAAOWAXIDU-GIPWTMENSA-N 1 0 296.392 2.547 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])O1 ZINC000453630008 383890025 /nfs/dbraw/zinc/89/00/25/383890025.db2.gz LWSPBCCPSBJLGR-FAQJLRJSSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@H]1C[C@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266286687 384136332 /nfs/dbraw/zinc/13/63/32/384136332.db2.gz VTSSKDUDJUSISX-NWDGAFQWSA-N 1 0 263.341 2.514 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574624099 384122949 /nfs/dbraw/zinc/12/29/49/384122949.db2.gz AWOIXVVWKLFVHV-BBRMVZONSA-N 1 0 289.379 2.731 20 5 CFBDRO C[C@@H](O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266539850 384195454 /nfs/dbraw/zinc/19/54/54/384195454.db2.gz PMXFMXNXAGPLID-NWDGAFQWSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(C2)CCOCC3)cs1 ZINC000266554500 384197565 /nfs/dbraw/zinc/19/75/65/384197565.db2.gz LRWJRJUKQQPFIH-UHFFFAOYSA-N 1 0 282.365 2.659 20 5 CFBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCC[C@@H]1C ZINC000444672559 285093269 /nfs/dbraw/zinc/09/32/69/285093269.db2.gz HDFXKGZZFDGVII-RYUDHWBXSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000266765690 384235018 /nfs/dbraw/zinc/23/50/18/384235018.db2.gz HUUPWUKRIAYFOS-BXUZGUMPSA-N 1 0 290.319 2.880 20 5 CFBDRO C[C@@H]([NH2+]CCOC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000266788871 384236975 /nfs/dbraw/zinc/23/69/75/384236975.db2.gz OTLQBOLAGZGILJ-LLVKDONJSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277567220 384340030 /nfs/dbraw/zinc/34/00/30/384340030.db2.gz ZILFZAYGGQDYEJ-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000267274328 384344034 /nfs/dbraw/zinc/34/40/34/384344034.db2.gz NGGQTMPHQRUTET-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000369462992 285110521 /nfs/dbraw/zinc/11/05/21/285110521.db2.gz ALGUCORQBNEDRB-CVEARBPZSA-N 1 0 290.363 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000362452451 285110608 /nfs/dbraw/zinc/11/06/08/285110608.db2.gz MXTYFZWOKSQEOZ-ZBFHGGJFSA-N 1 0 290.363 2.638 20 5 CFBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344433861 220280761 /nfs/dbraw/zinc/28/07/61/220280761.db2.gz KRJHRVMQEYNWLX-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000344433728 220281131 /nfs/dbraw/zinc/28/11/31/220281131.db2.gz MXUOWOPZGUQOLO-CQSZACIVSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000344435317 220281245 /nfs/dbraw/zinc/28/12/45/220281245.db2.gz DEYHEFQGHPJUAS-INIZCTEOSA-N 1 0 286.331 2.808 20 5 CFBDRO CSCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000281135242 195118610 /nfs/dbraw/zinc/11/86/10/195118610.db2.gz DICCUCQXOQILGD-UHFFFAOYSA-N 1 0 272.345 2.919 20 5 CFBDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000264548609 285115741 /nfs/dbraw/zinc/11/57/41/285115741.db2.gz YFQITKBCPGZWDD-AWEZNQCLSA-N 1 0 299.330 2.863 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000278364864 384543169 /nfs/dbraw/zinc/54/31/69/384543169.db2.gz BNKYMCQUWHEOSV-SCDSUCTJSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278971946 384603841 /nfs/dbraw/zinc/60/38/41/384603841.db2.gz CFUCBVCXALWYKV-YGRLFVJLSA-N 1 0 278.352 2.678 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000278822609 384599667 /nfs/dbraw/zinc/59/96/67/384599667.db2.gz SOQAFBYIDRLUKZ-ABAIWWIYSA-N 1 0 277.368 2.512 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264630497 285130242 /nfs/dbraw/zinc/13/02/42/285130242.db2.gz TZVDXZJOHXZICV-HNNXBMFYSA-N 1 0 275.352 2.659 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000269100419 384725217 /nfs/dbraw/zinc/72/52/17/384725217.db2.gz RLYBNSHQFIWXFE-ZIAGYGMSSA-N 1 0 289.379 2.824 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268859123 384677346 /nfs/dbraw/zinc/67/73/46/384677346.db2.gz RDYTWWVYPBGCGH-QWHCGFSZSA-N 1 0 280.368 2.931 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279681920 384720718 /nfs/dbraw/zinc/72/07/18/384720718.db2.gz OVXQLZOCWYGOED-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO CC(C)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692321 384837899 /nfs/dbraw/zinc/83/78/99/384837899.db2.gz VMBJPYDLRAHVRZ-HUUCEWRRSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCCC1 ZINC000269761435 384862575 /nfs/dbraw/zinc/86/25/75/384862575.db2.gz BLDVIBVSNUSCKH-GFCCVEGCSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000280237850 384940065 /nfs/dbraw/zinc/94/00/65/384940065.db2.gz JWEMTSJQNXSJTP-GXFFZTMASA-N 1 0 298.770 2.805 20 5 CFBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000280424600 385012514 /nfs/dbraw/zinc/01/25/14/385012514.db2.gz MDCBFTUVTWCPFX-UHFFFAOYSA-N 1 0 292.335 2.560 20 5 CFBDRO C[C@@H]1CC[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000282405111 385302527 /nfs/dbraw/zinc/30/25/27/385302527.db2.gz IAYQRAZSMZNIDT-IUODEOHRSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CSC1(C)C ZINC000282602539 385350336 /nfs/dbraw/zinc/35/03/36/385350336.db2.gz DBBQXCPNVUXFKM-GFCCVEGCSA-N 1 0 266.366 2.887 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000288984328 197206762 /nfs/dbraw/zinc/20/67/62/197206762.db2.gz ZNMKFMRFUFJALH-OAHLLOKOSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271914918 385398608 /nfs/dbraw/zinc/39/86/08/385398608.db2.gz YRTFHZYLJUOILO-LBPRGKRZSA-N 1 0 275.352 2.507 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000282888720 385405677 /nfs/dbraw/zinc/40/56/77/385405677.db2.gz DHCDRVBOJRMWRW-UHFFFAOYSA-N 1 0 266.341 2.626 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301342893 285164609 /nfs/dbraw/zinc/16/46/09/285164609.db2.gz IPYQCHOKRZZBNW-MJBXVCDLSA-N 1 0 287.363 2.515 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC=CO1 ZINC000283052425 385429433 /nfs/dbraw/zinc/42/94/33/385429433.db2.gz OVMNBUVFTUSDDP-HNNXBMFYSA-N 1 0 276.336 2.762 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC(CO)CC1 ZINC000283097319 385434907 /nfs/dbraw/zinc/43/49/07/385434907.db2.gz LPTLLIMKGVRXSY-UHFFFAOYSA-N 1 0 296.342 2.717 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283676032 385487323 /nfs/dbraw/zinc/48/73/23/385487323.db2.gz VPDHSNHIGRYNNA-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000192460240 285173434 /nfs/dbraw/zinc/17/34/34/285173434.db2.gz PUXAJXGIMYWRKE-NSHDSACASA-N 1 0 296.396 2.506 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000192460250 285172766 /nfs/dbraw/zinc/17/27/66/285172766.db2.gz PUXAJXGIMYWRKE-LLVKDONJSA-N 1 0 296.396 2.506 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286455551 385625635 /nfs/dbraw/zinc/62/56/35/385625635.db2.gz RYIYNQGAAPMFJD-UHFFFAOYSA-N 1 0 292.383 2.852 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276266955 385985599 /nfs/dbraw/zinc/98/55/99/385985599.db2.gz GPFBZVGPOKANLH-DCAQKATOSA-N 1 0 252.314 2.669 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cccc(F)c2[N+](=O)[O-])C1 ZINC000277010353 386106515 /nfs/dbraw/zinc/10/65/15/386106515.db2.gz LIEISYWDCPUTLV-YPMHNXCESA-N 1 0 293.342 2.654 20 5 CFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276934657 386085083 /nfs/dbraw/zinc/08/50/83/386085083.db2.gz RKFVHTXFTJZFER-NSHDSACASA-N 1 0 264.325 2.978 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126389597 285240308 /nfs/dbraw/zinc/24/03/08/285240308.db2.gz YVQFNYHQRNOJMI-IINYFYTJSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000287003806 196755522 /nfs/dbraw/zinc/75/55/22/196755522.db2.gz RAIBJJSGMTXJKK-UKRRQHHQSA-N 1 0 289.379 2.653 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCOCC1 ZINC000178730823 533222419 /nfs/dbraw/zinc/22/24/19/533222419.db2.gz LARDWDKQWQFGMX-NSHDSACASA-N 1 0 294.351 2.508 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000080977277 177743695 /nfs/dbraw/zinc/74/36/95/177743695.db2.gz BJMYAWSCAIHACC-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO COCC[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414480525 533302831 /nfs/dbraw/zinc/30/28/31/533302831.db2.gz KLPQHNNQSBOQKS-NSHDSACASA-N 1 0 266.341 2.665 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000353193254 533409112 /nfs/dbraw/zinc/40/91/12/533409112.db2.gz OVIORMVDZFORGW-QXIXBFCJSA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414513334 533667427 /nfs/dbraw/zinc/66/74/27/533667427.db2.gz KAGKBKNIHCULDZ-WZRBSPASSA-N 1 0 294.351 2.507 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCc2cnccn2)cccc1[N+](=O)[O-] ZINC000341879785 130105787 /nfs/dbraw/zinc/10/57/87/130105787.db2.gz OWUPVXLGBZEJEG-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000342050660 130221789 /nfs/dbraw/zinc/22/17/89/130221789.db2.gz RNBABLXQIGUVEL-OAHLLOKOSA-N 1 0 292.379 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CCO)c(F)c1 ZINC000342059910 130227919 /nfs/dbraw/zinc/22/79/19/130227919.db2.gz HJOCGPSKXDWSAP-CYBMUJFWSA-N 1 0 296.342 2.861 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342039559 130252881 /nfs/dbraw/zinc/25/28/81/130252881.db2.gz WARLABQLPQAULF-LSDHHAIUSA-N 1 0 294.326 2.877 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191643562 130269685 /nfs/dbraw/zinc/26/96/85/130269685.db2.gz FMXGAEYLJRAIAQ-QJPTWQEYSA-N 1 0 266.341 2.977 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191751513 130296288 /nfs/dbraw/zinc/29/62/88/130296288.db2.gz DSBDMMIJLADQGJ-NOZJJQNGSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)c(F)c1 ZINC000342290575 130421200 /nfs/dbraw/zinc/42/12/00/130421200.db2.gz MVGGLXUJMUKAGZ-ZJUUUORDSA-N 1 0 256.252 2.714 20 5 CFBDRO C[C@H](CCNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000193498173 130627424 /nfs/dbraw/zinc/62/74/24/130627424.db2.gz ITZCDMURXQIJOW-GFCCVEGCSA-N 1 0 292.383 2.853 20 5 CFBDRO C[NH+]1CCC(C)(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000227306951 130839817 /nfs/dbraw/zinc/83/98/17/130839817.db2.gz DAMRUDIWYUJSFY-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000246385422 131093572 /nfs/dbraw/zinc/09/35/72/131093572.db2.gz ILUDRMZPNAVJOA-ZJUUUORDSA-N 1 0 275.308 2.966 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000246374917 131093931 /nfs/dbraw/zinc/09/39/31/131093931.db2.gz ANSHNYHUJJECOY-LBPRGKRZSA-N 1 0 295.770 2.528 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252219984 131133647 /nfs/dbraw/zinc/13/36/47/131133647.db2.gz YTVJSEKLRVCBNY-TYNCELHUSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261661298 131160580 /nfs/dbraw/zinc/16/05/80/131160580.db2.gz KNUIXAYJCXIJHG-AAEUAGOBSA-N 1 0 291.351 2.749 20 5 CFBDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268802749 132068984 /nfs/dbraw/zinc/06/89/84/132068984.db2.gz JWVKSDPFNJSFRN-LBPRGKRZSA-N 1 0 288.351 2.759 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000268901389 132085573 /nfs/dbraw/zinc/08/55/73/132085573.db2.gz CQRXMHZWIUFGAY-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268988732 132096551 /nfs/dbraw/zinc/09/65/51/132096551.db2.gz FOKHFUSFBTZVGS-NWDGAFQWSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1c([C@@H](C)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070645 132107851 /nfs/dbraw/zinc/10/78/51/132107851.db2.gz ZXXARTKZAGRDHM-DGCLKSJQSA-N 1 0 279.384 2.894 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139029 132119392 /nfs/dbraw/zinc/11/93/92/132119392.db2.gz ZOYOCFXJGBJNTM-HOCLYGCPSA-N 1 0 289.379 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2=CCCOC2)c1 ZINC000269287432 132149552 /nfs/dbraw/zinc/14/95/52/132149552.db2.gz MWVAJDUMAGPJHV-UHFFFAOYSA-N 1 0 282.727 2.685 20 5 CFBDRO Cc1nc(NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000308670656 393515901 /nfs/dbraw/zinc/51/59/01/393515901.db2.gz ZNTPXOKVRWTFNK-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000036996373 393527695 /nfs/dbraw/zinc/52/76/95/393527695.db2.gz LXDZQASNPCSFGC-VBNZEHGJSA-N 1 0 289.379 2.872 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000037154584 393528195 /nfs/dbraw/zinc/52/81/95/393528195.db2.gz HQBSEMKBUCPPFH-CHWSQXEVSA-N 1 0 288.351 2.839 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176994 393529257 /nfs/dbraw/zinc/52/92/57/393529257.db2.gz CQZNQMOXELVCIO-LLVKDONJSA-N 1 0 252.314 2.672 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051995475 393617487 /nfs/dbraw/zinc/61/74/87/393617487.db2.gz FOUQEIRDXNIRDK-ZNMIVQPWSA-N 1 0 278.352 2.939 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411141205 393672624 /nfs/dbraw/zinc/67/26/24/393672624.db2.gz IUKRIIADCRQDJP-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[NH+](CC)CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195168039 393733572 /nfs/dbraw/zinc/73/35/72/393733572.db2.gz SUIPDNIZJWCIAE-UHFFFAOYSA-N 1 0 292.383 2.707 20 5 CFBDRO CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000221923827 393762726 /nfs/dbraw/zinc/76/27/26/393762726.db2.gz NMVYKVRERXZIEH-ZDUSSCGKSA-N 1 0 279.384 2.976 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000077383138 393698937 /nfs/dbraw/zinc/69/89/37/393698937.db2.gz FCNUHNSAANJFSR-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077464988 393698982 /nfs/dbraw/zinc/69/89/82/393698982.db2.gz NRQXALUFHYINGJ-BNVCYRGBSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411361320 393703422 /nfs/dbraw/zinc/70/34/22/393703422.db2.gz HAHDLMXINZWFQQ-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC12CC2 ZINC000424188158 393790711 /nfs/dbraw/zinc/79/07/11/393790711.db2.gz XCUZUKROIIHWBD-CYBMUJFWSA-N 1 0 262.309 2.636 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737051 393870180 /nfs/dbraw/zinc/87/01/80/393870180.db2.gz NUKSQDKDKHSXDQ-OUCADQQQSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000247214103 393894506 /nfs/dbraw/zinc/89/45/06/393894506.db2.gz VZBKFZBMDYKLNP-JECHBYEQSA-N 1 0 298.342 2.904 20 5 CFBDRO COC[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178798 393899159 /nfs/dbraw/zinc/89/91/59/393899159.db2.gz ODSZEVMIECSZKD-ODDCISTRSA-N 1 0 290.363 2.966 20 5 CFBDRO CC(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000248292858 393906389 /nfs/dbraw/zinc/90/63/89/393906389.db2.gz UZTLXBWZRVOFEU-UHFFFAOYSA-N 1 0 277.368 2.763 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000119720542 393923675 /nfs/dbraw/zinc/92/36/75/393923675.db2.gz YMGGRGDQGRHIOK-YOIVXCQUSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@H](O)[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120598187 393937148 /nfs/dbraw/zinc/93/71/48/393937148.db2.gz YCYBHGDDYQAFBT-QWRGUYRKSA-N 1 0 298.770 2.841 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)CCCCO)cc1[N+](=O)[O-] ZINC000471822720 393920042 /nfs/dbraw/zinc/92/00/42/393920042.db2.gz PKZOKYYWBYLUMQ-UHFFFAOYSA-N 1 0 280.368 2.923 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000430193448 393966445 /nfs/dbraw/zinc/96/64/45/393966445.db2.gz GESBCMATONSSHY-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271754372 394023677 /nfs/dbraw/zinc/02/36/77/394023677.db2.gz GPFBZVGPOKANLH-GMTAPVOTSA-N 1 0 252.314 2.669 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000430242508 393971547 /nfs/dbraw/zinc/97/15/47/393971547.db2.gz YDKWUBULEWULPN-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000268973559 393998255 /nfs/dbraw/zinc/99/82/55/393998255.db2.gz IOLNGHZKUAPMHK-LOWVWBTDSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270108975 394008872 /nfs/dbraw/zinc/00/88/72/394008872.db2.gz MHOWMCFZOQLEAK-JMSVASOKSA-N 1 0 278.352 2.749 20 5 CFBDRO COCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433148002 394013339 /nfs/dbraw/zinc/01/33/39/394013339.db2.gz PUIACMCEDRTREQ-ZDUSSCGKSA-N 1 0 264.325 2.553 20 5 CFBDRO C[C@H](O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000354734601 394050132 /nfs/dbraw/zinc/05/01/32/394050132.db2.gz OZCHPBRSYLMVAP-LBPRGKRZSA-N 1 0 278.352 2.720 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279199489 394065551 /nfs/dbraw/zinc/06/55/51/394065551.db2.gz XDZRVWGPZLJLNQ-QMTHXVAHSA-N 1 0 278.352 2.942 20 5 CFBDRO [NH3+]C[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420164103 394087794 /nfs/dbraw/zinc/08/77/94/394087794.db2.gz FMCSIBAIBAOQGI-SSDOTTSWSA-N 1 0 290.150 2.687 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1F ZINC000420269086 394111391 /nfs/dbraw/zinc/11/13/91/394111391.db2.gz AZZLLMOXCSCFIW-NXEZZACHSA-N 1 0 297.330 2.672 20 5 CFBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000420632069 394121560 /nfs/dbraw/zinc/12/15/60/394121560.db2.gz WGMWYJAPFALBDX-UHFFFAOYSA-N 1 0 298.774 2.928 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O ZINC000360027931 394144500 /nfs/dbraw/zinc/14/45/00/394144500.db2.gz PKBKDJULOQMXNY-JTQLQIEISA-N 1 0 286.759 2.839 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049829 394144675 /nfs/dbraw/zinc/14/46/75/394144675.db2.gz HFNIZXFLBUITFT-GHMZBOCLSA-N 1 0 281.331 2.571 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420995140 394148987 /nfs/dbraw/zinc/14/89/87/394148987.db2.gz DESJMKCGDCLOHI-DZGCQCFKSA-N 1 0 291.395 2.990 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420995144 394149532 /nfs/dbraw/zinc/14/95/32/394149532.db2.gz DESJMKCGDCLOHI-HIFRSBDPSA-N 1 0 291.395 2.990 20 5 CFBDRO CC[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421384683 394213716 /nfs/dbraw/zinc/21/37/16/394213716.db2.gz PKOBPGJKHASQSZ-RYUDHWBXSA-N 1 0 293.367 2.948 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000135294582 394216198 /nfs/dbraw/zinc/21/61/98/394216198.db2.gz PIXIIZZCSULHSZ-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449224495 394257598 /nfs/dbraw/zinc/25/75/98/394257598.db2.gz LWHQGMANEVVSSO-JTQLQIEISA-N 1 0 275.308 2.612 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449145486 394228725 /nfs/dbraw/zinc/22/87/25/394228725.db2.gz LKVJIDZSTQYAKF-DOMZBBRYSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(C)(C)CO ZINC000449161193 394235515 /nfs/dbraw/zinc/23/55/15/394235515.db2.gz DQEPLZJBHGATFC-ZDUSSCGKSA-N 1 0 294.395 2.914 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449162977 394236305 /nfs/dbraw/zinc/23/63/05/394236305.db2.gz KXNJMKCIXLIFHC-YPMHNXCESA-N 1 0 266.341 2.540 20 5 CFBDRO CCCN(CC)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449176291 394242697 /nfs/dbraw/zinc/24/26/97/394242697.db2.gz MDSAIPDOYAJFJU-CQSZACIVSA-N 1 0 293.411 2.847 20 5 CFBDRO CC(C)([NH2+]CC1=CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000291643345 394252682 /nfs/dbraw/zinc/25/26/82/394252682.db2.gz BUYRRLFRGQGUAV-UHFFFAOYSA-N 1 0 276.336 2.766 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCC1 ZINC000449304583 394272152 /nfs/dbraw/zinc/27/21/52/394272152.db2.gz ZKEPVZFLFKDZPS-IUODEOHRSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292696619 394276000 /nfs/dbraw/zinc/27/60/00/394276000.db2.gz FUIHSKCFJHSJKI-MRXNPFEDSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1ccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292807742 394277358 /nfs/dbraw/zinc/27/73/58/394277358.db2.gz NYBUUHYKECBCTR-MRXNPFEDSA-N 1 0 289.379 2.825 20 5 CFBDRO CC1(C)C[C@@H](NCC2([NH3+])CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000423336103 394277558 /nfs/dbraw/zinc/27/75/58/394277558.db2.gz UQWVEBFWBQRWJT-CQSZACIVSA-N 1 0 289.379 2.788 20 5 CFBDRO CC[C@@H]([NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423482956 394283871 /nfs/dbraw/zinc/28/38/71/394283871.db2.gz XNOFHDOANRIXQV-QMTHXVAHSA-N 1 0 277.368 2.644 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450546805 394294909 /nfs/dbraw/zinc/29/49/09/394294909.db2.gz LBIFXCLSMKAVMF-GFCCVEGCSA-N 1 0 289.379 2.824 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494652989 394361368 /nfs/dbraw/zinc/36/13/68/394361368.db2.gz JTYUFWTWRIFNQL-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000453344576 394388110 /nfs/dbraw/zinc/38/81/10/394388110.db2.gz DRDJASODUUAXSO-SMDDNHRTSA-N 1 0 278.352 2.979 20 5 CFBDRO COC1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCC1 ZINC000555428875 394974133 /nfs/dbraw/zinc/97/41/33/394974133.db2.gz HFDDUUVHMSMGOL-UHFFFAOYSA-N 1 0 290.363 2.912 20 5 CFBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000557524302 395038419 /nfs/dbraw/zinc/03/84/19/395038419.db2.gz XNNXBLQPVILHKT-WFVZMWEJSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903121 155132462 /nfs/dbraw/zinc/13/24/62/155132462.db2.gz CHXOFKAQCSIPHQ-CHWSQXEVSA-N 1 0 292.383 2.911 20 5 CFBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192537176 397611551 /nfs/dbraw/zinc/61/15/51/397611551.db2.gz ONBFJGVVXIVMEK-SNVBAGLBSA-N 1 0 284.385 2.728 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223518713 397622695 /nfs/dbraw/zinc/62/26/95/397622695.db2.gz ZSZRXEWTIBELEJ-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000044690652 286135726 /nfs/dbraw/zinc/13/57/26/286135726.db2.gz ASSLYWPQDMWZOA-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190875000 292295517 /nfs/dbraw/zinc/29/55/17/292295517.db2.gz CUIVMXHOIBGEGM-UPJWGTAASA-N 1 0 278.352 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000420297228 292296480 /nfs/dbraw/zinc/29/64/80/292296480.db2.gz REDORWZHTFHXBA-UPJWGTAASA-N 1 0 277.368 2.646 20 5 CFBDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000348060408 154301061 /nfs/dbraw/zinc/30/10/61/154301061.db2.gz GTCYQISFZPTVHX-NWDGAFQWSA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348114285 154326691 /nfs/dbraw/zinc/32/66/91/154326691.db2.gz GOFZWEJWNNGGQC-LSDHHAIUSA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348153782 154342049 /nfs/dbraw/zinc/34/20/49/154342049.db2.gz UKERTLMPHQZTCU-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO COCCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000355483306 155020002 /nfs/dbraw/zinc/02/00/02/155020002.db2.gz IAYZZKAMUFYOIX-UHFFFAOYSA-N 1 0 270.354 2.705 20 5 CFBDRO COC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000358195964 155668044 /nfs/dbraw/zinc/66/80/44/155668044.db2.gz DMHIHYVULDBEEV-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1 ZINC000358217709 155675481 /nfs/dbraw/zinc/67/54/81/155675481.db2.gz CUSAGABPSRTVNB-RYUDHWBXSA-N 1 0 296.392 2.844 20 5 CFBDRO CCCCC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362949602 156122973 /nfs/dbraw/zinc/12/29/73/156122973.db2.gz QNYIFZVJXQEBQZ-ZDUSSCGKSA-N 1 0 280.372 2.836 20 5 CFBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362955269 156124763 /nfs/dbraw/zinc/12/47/63/156124763.db2.gz PVEHFEHGDNSJSM-LBPRGKRZSA-N 1 0 280.372 2.873 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000362954177 156125564 /nfs/dbraw/zinc/12/55/64/156125564.db2.gz HVTNPAMSFLRPIU-QWRGUYRKSA-N 1 0 270.354 2.704 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000368612373 156516197 /nfs/dbraw/zinc/51/61/97/156516197.db2.gz HAXZNMOMFLVGDH-QKDCVEJESA-N 1 0 290.363 2.700 20 5 CFBDRO C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000374641242 157142368 /nfs/dbraw/zinc/14/23/68/157142368.db2.gz FTHIYISJLHZYQJ-QWHCGFSZSA-N 1 0 282.365 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1F ZINC000374911981 157171975 /nfs/dbraw/zinc/17/19/75/157171975.db2.gz MESUTHFBNDILRL-GFCCVEGCSA-N 1 0 264.300 2.966 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375019416 157185471 /nfs/dbraw/zinc/18/54/71/157185471.db2.gz MBERLBODXUDGOR-DVOMOZLQSA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000344592192 162073187 /nfs/dbraw/zinc/07/31/87/162073187.db2.gz MWZVIXPAZHSMGA-QMDMKJMKSA-N 1 0 276.336 2.623 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)COC1 ZINC000344743419 162113074 /nfs/dbraw/zinc/11/30/74/162113074.db2.gz RVRRQORYOHJLOR-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCSC1 ZINC000344756370 162115868 /nfs/dbraw/zinc/11/58/68/162115868.db2.gz IEOZEWLZVNEDOZ-FHMRSRPSSA-N 1 0 264.350 2.703 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnn(C)c1 ZINC000344793767 162124320 /nfs/dbraw/zinc/12/43/20/162124320.db2.gz PMBQMAUEODSHKG-WUXMJOGZSA-N 1 0 286.335 2.521 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CCC1 ZINC000344814373 162126076 /nfs/dbraw/zinc/12/60/76/162126076.db2.gz PASIBZUAHRXVCY-JYRVWZFOSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ncccc23)cc1 ZINC000344832419 162130515 /nfs/dbraw/zinc/13/05/15/162130515.db2.gz CUMYDJWFKSPWSR-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCO1 ZINC000344843124 162133089 /nfs/dbraw/zinc/13/30/89/162133089.db2.gz FHOJLOSQLUGZMA-PINLSGDHSA-N 1 0 276.336 2.767 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)N(C)C ZINC000344878207 162139801 /nfs/dbraw/zinc/13/98/01/162139801.db2.gz PSIXBNFJTKKRQJ-LCYFTJDESA-N 1 0 291.395 2.928 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345165546 162192268 /nfs/dbraw/zinc/19/22/68/162192268.db2.gz ATNVXTGSIUWLLD-QWRGUYRKSA-N 1 0 281.331 2.653 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000346163280 162334465 /nfs/dbraw/zinc/33/44/65/162334465.db2.gz LSZAJWMPOSBXPU-NEPJUHHUSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346209977 162352558 /nfs/dbraw/zinc/35/25/58/162352558.db2.gz ONKOEVYCVLIFKG-QWRGUYRKSA-N 1 0 283.397 2.571 20 5 CFBDRO CCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000346352922 162392371 /nfs/dbraw/zinc/39/23/71/162392371.db2.gz ZHIBNNXASIMBTH-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349963756 163043398 /nfs/dbraw/zinc/04/33/98/163043398.db2.gz IZWCQHHJTVFINX-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350037287 163051584 /nfs/dbraw/zinc/05/15/84/163051584.db2.gz NALWLVDGGAWQRO-DZGCQCFKSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@@H](C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000350840878 163109888 /nfs/dbraw/zinc/10/98/88/163109888.db2.gz YZKLGZBJACXHFF-CYBMUJFWSA-N 1 0 277.368 2.763 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000352768603 163230790 /nfs/dbraw/zinc/23/07/90/163230790.db2.gz JPGGHVUDBGZFMB-LLVKDONJSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000353037705 163293096 /nfs/dbraw/zinc/29/30/96/163293096.db2.gz KUBSNUUKYTWCKA-GXTWGEPZSA-N 1 0 278.352 2.665 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353117454 163308358 /nfs/dbraw/zinc/30/83/58/163308358.db2.gz MMCVCAAQJOFQPP-KGXGESDWSA-N 1 0 291.395 2.926 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376478067 287145107 /nfs/dbraw/zinc/14/51/07/287145107.db2.gz NMWQUTMZRXEMJG-CORIIIEPSA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000020121666 171001363 /nfs/dbraw/zinc/00/13/63/171001363.db2.gz XDWFHNYFTPFUTI-LLVKDONJSA-N 1 0 257.293 2.841 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000020186571 171050900 /nfs/dbraw/zinc/05/09/00/171050900.db2.gz LDDGIWBZQRKCTM-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000020196153 171061396 /nfs/dbraw/zinc/06/13/96/171061396.db2.gz RZDXZOXDDYRZBU-TZMCWYRMSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)[C@H](CNCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000020200983 171064553 /nfs/dbraw/zinc/06/45/53/171064553.db2.gz LTFRILVZUVYMGO-INIZCTEOSA-N 1 0 291.395 2.805 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526107 171238840 /nfs/dbraw/zinc/23/88/40/171238840.db2.gz QENFDBUGYAEJND-LLVKDONJSA-N 1 0 252.314 2.672 20 5 CFBDRO CCOC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000284956175 196164596 /nfs/dbraw/zinc/16/45/96/196164596.db2.gz FGJJCLQTKTUNRF-RISCZKNCSA-N 1 0 295.383 2.889 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000285695176 196369077 /nfs/dbraw/zinc/36/90/77/196369077.db2.gz VPUUMTGNEHJYSU-BBRMVZONSA-N 1 0 289.379 2.653 20 5 CFBDRO CC(C)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079418 174089033 /nfs/dbraw/zinc/08/90/33/174089033.db2.gz ZRTKIRMUBYBIMG-LLVKDONJSA-N 1 0 252.314 2.608 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087860 174100406 /nfs/dbraw/zinc/10/04/06/174100406.db2.gz ASXPUHCOQUZHOP-IUODEOHRSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087920 174100538 /nfs/dbraw/zinc/10/05/38/174100538.db2.gz SHAINOOWTVVCPJ-BXUZGUMPSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038095959 174110119 /nfs/dbraw/zinc/11/01/19/174110119.db2.gz WSSSDIQNMRZEBF-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000038096027 174110179 /nfs/dbraw/zinc/11/01/79/174110179.db2.gz GXOVHVBSLGHUMO-RYUDHWBXSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040503278 174299525 /nfs/dbraw/zinc/29/95/25/174299525.db2.gz VFRKQMNHOBDNNF-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO C[C@H]1CCC[C@@](CNc2ccncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670255 174368261 /nfs/dbraw/zinc/36/82/61/174368261.db2.gz UKMHYLQGQVRZTG-SWLSCSKDSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000040675947 174373232 /nfs/dbraw/zinc/37/32/32/174373232.db2.gz GGZMYHZPYUPJJV-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044656930 175225685 /nfs/dbraw/zinc/22/56/85/175225685.db2.gz SMGQMBWGSHVOSL-LLVKDONJSA-N 1 0 252.314 2.672 20 5 CFBDRO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044690443 175233566 /nfs/dbraw/zinc/23/35/66/175233566.db2.gz LEODKUWDNQVTEJ-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044725865 175238208 /nfs/dbraw/zinc/23/82/08/175238208.db2.gz NESPMNJHMAUUSE-LLVKDONJSA-N 1 0 261.325 2.552 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045036479 175294335 /nfs/dbraw/zinc/29/43/35/175294335.db2.gz OOSPSSJDHMNUNV-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO COc1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000060998530 175642072 /nfs/dbraw/zinc/64/20/72/175642072.db2.gz QGWYNBPOEBBFJR-UHFFFAOYSA-N 1 0 286.331 2.936 20 5 CFBDRO Cc1ccnc(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000070495775 175957142 /nfs/dbraw/zinc/95/71/42/175957142.db2.gz AYGSQANOQRPCMN-UHFFFAOYSA-N 1 0 280.372 2.829 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000071207323 176080975 /nfs/dbraw/zinc/08/09/75/176080975.db2.gz KWCCBFYJVCDJLI-CMPLNLGQSA-N 1 0 264.325 2.882 20 5 CFBDRO CSC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000076768795 177086797 /nfs/dbraw/zinc/08/67/97/177086797.db2.gz FSQOJJDIVBEQKQ-JTQLQIEISA-N 1 0 254.355 2.744 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000418107179 227328691 /nfs/dbraw/zinc/32/86/91/227328691.db2.gz YNWVJWNURGGYGV-ZDUSSCGKSA-N 1 0 284.331 2.885 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000081707767 292625785 /nfs/dbraw/zinc/62/57/85/292625785.db2.gz BPZWLEIGVCAXHL-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC12CC2 ZINC000418089231 228024162 /nfs/dbraw/zinc/02/41/62/228024162.db2.gz BTIIYLAOYOCOFA-LQPUYASZSA-N 1 0 258.321 2.998 20 5 CFBDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313110903 260249946 /nfs/dbraw/zinc/24/99/46/260249946.db2.gz FABYQSYOQDSYFD-GWCFXTLKSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000518080299 260341211 /nfs/dbraw/zinc/34/12/11/260341211.db2.gz XHTZDGYEBGPWTL-LLVKDONJSA-N 1 0 291.351 2.572 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190044383 264345672 /nfs/dbraw/zinc/34/56/72/264345672.db2.gz PWASIDQBVQXSQS-LRDDRELGSA-N 1 0 292.379 2.921 20 5 CFBDRO CCN(Cc1cnn(C)c1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195518745 270254120 /nfs/dbraw/zinc/25/41/20/270254120.db2.gz XXQCARCALPQMOR-LBPRGKRZSA-N 1 0 288.351 2.911 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227496725 270257248 /nfs/dbraw/zinc/25/72/48/270257248.db2.gz SGXFZHIHIFXEAL-AAEUAGOBSA-N 1 0 263.341 2.798 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000313255062 270290667 /nfs/dbraw/zinc/29/06/67/270290667.db2.gz QOEWQNXJAXRKNF-OAHLLOKOSA-N 1 0 288.351 2.612 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000322494277 270296310 /nfs/dbraw/zinc/29/63/10/270296310.db2.gz DGBSVMVZCOERFL-NSHDSACASA-N 1 0 258.343 2.561 20 5 CFBDRO C[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000397252867 270316330 /nfs/dbraw/zinc/31/63/30/270316330.db2.gz DDSUUOIYCXFWHE-NTZNESFSSA-N 1 0 295.358 2.539 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1 ZINC000397921847 270320685 /nfs/dbraw/zinc/32/06/85/270320685.db2.gz IAYMXBBZWVNITK-CBAPKCEASA-N 1 0 258.368 2.640 20 5 CFBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000514799745 270355020 /nfs/dbraw/zinc/35/50/20/270355020.db2.gz XWYKNXIJNYNELN-DZGCQCFKSA-N 1 0 276.336 2.741 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172690786 273716313 /nfs/dbraw/zinc/71/63/13/273716313.db2.gz MFABMHPKQJJQDN-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO COC1(C)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000428134211 274013553 /nfs/dbraw/zinc/01/35/53/274013553.db2.gz ITFUQDFHSBQSFE-UHFFFAOYSA-N 1 0 287.319 2.677 20 5 CFBDRO COCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192678324 274018933 /nfs/dbraw/zinc/01/89/33/274018933.db2.gz CVEXMGNGINIOPC-HNNXBMFYSA-N 1 0 278.352 2.988 20 5 CFBDRO COCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272304249 274023857 /nfs/dbraw/zinc/02/38/57/274023857.db2.gz JLVQLWGJUZVGMM-LLVKDONJSA-N 1 0 252.314 2.542 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279199487 274056733 /nfs/dbraw/zinc/05/67/33/274056733.db2.gz XDZRVWGPZLJLNQ-HZMBPMFUSA-N 1 0 278.352 2.942 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000168991956 274212836 /nfs/dbraw/zinc/21/28/36/274212836.db2.gz FQZALIXEOXIMGL-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444646019 274399508 /nfs/dbraw/zinc/39/95/08/274399508.db2.gz XZOUIKOFJYQANA-ZJUUUORDSA-N 1 0 274.324 2.701 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414331457 274498855 /nfs/dbraw/zinc/49/88/55/274498855.db2.gz FVOVLFUIEYPEAB-UMVBOHGHSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]1CCC[C@](CNc2ccncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670260 274557514 /nfs/dbraw/zinc/55/75/14/274557514.db2.gz UKMHYLQGQVRZTG-WFASDCNBSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CO)CCCC1 ZINC000053069212 275033336 /nfs/dbraw/zinc/03/33/36/275033336.db2.gz VKEFWNLPDABEMB-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1 ZINC000225990710 275035557 /nfs/dbraw/zinc/03/55/57/275035557.db2.gz VYOYHKZYOQRKCQ-INIZCTEOSA-N 1 0 284.315 2.956 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000192452309 275040868 /nfs/dbraw/zinc/04/08/68/275040868.db2.gz RTVCDHFLEXHWSI-NSHDSACASA-N 1 0 296.396 2.506 20 5 CFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000339726247 275550074 /nfs/dbraw/zinc/55/00/74/275550074.db2.gz UATXIMUAFJROGG-AWEZNQCLSA-N 1 0 296.342 2.621 20 5 CFBDRO CC(C)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453571935 275562148 /nfs/dbraw/zinc/56/21/48/275562148.db2.gz CVVLFEXDOSPWNN-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000265012674 275656679 /nfs/dbraw/zinc/65/66/79/275656679.db2.gz XCVBELFEGRFEOK-UHFFFAOYSA-N 1 0 281.331 2.701 20 5 CFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000195507547 275700658 /nfs/dbraw/zinc/70/06/58/275700658.db2.gz AHUYOVYUOPGIEJ-JTQLQIEISA-N 1 0 284.385 2.584 20 5 CFBDRO CC(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510086 275876877 /nfs/dbraw/zinc/87/68/77/275876877.db2.gz OLVPFAOTYPCZEX-OLZOCXBDSA-N 1 0 280.372 2.911 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000301497562 276118377 /nfs/dbraw/zinc/11/83/77/276118377.db2.gz BTOGNSUHEDZPFD-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO CCOc1cccc(N2CCC[N@H+](CC)CC2)c1[N+](=O)[O-] ZINC000273214887 276380605 /nfs/dbraw/zinc/38/06/05/276380605.db2.gz ULIZWXMYLIKSQO-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000079735823 276527298 /nfs/dbraw/zinc/52/72/98/276527298.db2.gz ZHKPZSCVTHCXCK-JQWIXIFHSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@@H]([NH2+]C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037010424 276531467 /nfs/dbraw/zinc/53/14/67/276531467.db2.gz VZIJFXMGJKCLNR-PESDSKBTSA-N 1 0 278.352 2.939 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292840362 277072984 /nfs/dbraw/zinc/07/29/84/277072984.db2.gz QMMWPPFFNMHXQO-OAHLLOKOSA-N 1 0 275.352 2.517 20 5 CFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000446961638 277320304 /nfs/dbraw/zinc/32/03/04/277320304.db2.gz BBBZXUBQPIBCGW-ZBFHGGJFSA-N 1 0 292.379 2.931 20 5 CFBDRO COc1cccc(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000185339614 278015658 /nfs/dbraw/zinc/01/56/58/278015658.db2.gz MLJKXAKEAQMGGY-UHFFFAOYSA-N 1 0 293.367 2.570 20 5 CFBDRO CC(C)c1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346649167 278037084 /nfs/dbraw/zinc/03/70/84/278037084.db2.gz GMRSUUJQTMHIQS-OCCSQVGLSA-N 1 0 291.395 2.887 20 5 CFBDRO C[C@H]([NH2+]C1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361973485 278253506 /nfs/dbraw/zinc/25/35/06/278253506.db2.gz XTXGZLAJCNQIQU-DCBWTQNWSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000279013212 278284763 /nfs/dbraw/zinc/28/47/63/278284763.db2.gz HCELCZHBYFTJKG-XHDPSFHLSA-N 1 0 291.395 2.857 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037155218 278300830 /nfs/dbraw/zinc/30/08/30/278300830.db2.gz MAEIKEXFZQNHMR-RYUDHWBXSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176924 278334444 /nfs/dbraw/zinc/33/44/44/278334444.db2.gz VGXOEHIPTOUWIO-PWQPVHBWSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245461897 278347119 /nfs/dbraw/zinc/34/71/19/278347119.db2.gz NLCKJXINWHXFKK-ZIAGYGMSSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C1CCCCC1 ZINC000181443703 278349043 /nfs/dbraw/zinc/34/90/43/278349043.db2.gz YBSNDGPOTRYFBR-CHWSQXEVSA-N 1 0 294.399 2.986 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC000286434928 278900719 /nfs/dbraw/zinc/90/07/19/278900719.db2.gz SCTKRASGMVEUGD-DGCLKSJQSA-N 1 0 293.342 2.797 20 5 CFBDRO C[C@H](CO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280331536 279357923 /nfs/dbraw/zinc/35/79/23/279357923.db2.gz HRWDAHBKJRXYBC-CYBMUJFWSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000183341671 279507043 /nfs/dbraw/zinc/50/70/43/279507043.db2.gz ZCFJYGOIKNTZBF-WCQYABFASA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000247214116 279529220 /nfs/dbraw/zinc/52/92/20/279529220.db2.gz VZBKFZBMDYKLNP-YMRXKLBXSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000300415760 279544600 /nfs/dbraw/zinc/54/46/00/279544600.db2.gz YWIFKUIKSSBFME-MDZLAQPJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000302231868 279882013 /nfs/dbraw/zinc/88/20/13/279882013.db2.gz YEOPTMWPLCMBBZ-UWVGGRQHSA-N 1 0 283.759 2.777 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCCOC1)C1CC1 ZINC000177927902 280374362 /nfs/dbraw/zinc/37/43/62/280374362.db2.gz VUEVLWZIBBLYDG-LSDHHAIUSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1cc(N2CCC[C@@H]2C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000292801713 280552620 /nfs/dbraw/zinc/55/26/20/280552620.db2.gz YPKDNVIODHKPIA-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000122364498 280627004 /nfs/dbraw/zinc/62/70/04/280627004.db2.gz JGAGCICFROCFQU-LBPRGKRZSA-N 1 0 252.339 2.580 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268881411 280797014 /nfs/dbraw/zinc/79/70/14/280797014.db2.gz LRYSVRBNFVDHTN-COPLHBTASA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000268163908 281010066 /nfs/dbraw/zinc/01/00/66/281010066.db2.gz PGRJTVZDQULRIL-QWHCGFSZSA-N 1 0 277.368 2.680 20 5 CFBDRO CCC[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249286377 281054722 /nfs/dbraw/zinc/05/47/22/281054722.db2.gz POUGXSRPPUSXRF-VXGBXAGGSA-N 1 0 278.356 2.665 20 5 CFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@H]1C ZINC000249337191 281055713 /nfs/dbraw/zinc/05/57/13/281055713.db2.gz IKNBCXPAAXSUJY-OLZOCXBDSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000397825920 281202829 /nfs/dbraw/zinc/20/28/29/281202829.db2.gz IYJWZPNSRIUPBH-LBPRGKRZSA-N 1 0 276.336 2.901 20 5 CFBDRO Cc1cccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000275495948 281229210 /nfs/dbraw/zinc/22/92/10/281229210.db2.gz RXAMJCDQNOSNLV-ZIAGYGMSSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1cccc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000275495939 281229670 /nfs/dbraw/zinc/22/96/70/281229670.db2.gz RXAMJCDQNOSNLV-KGLIPLIRSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000341812775 281261088 /nfs/dbraw/zinc/26/10/88/281261088.db2.gz ZOFCHFVIMCRYRA-LBPRGKRZSA-N 1 0 293.367 2.818 20 5 CFBDRO CC[NH+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000459484391 281267624 /nfs/dbraw/zinc/26/76/24/281267624.db2.gz SLUVZOYUWZLFQE-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549041319 281810290 /nfs/dbraw/zinc/81/02/90/281810290.db2.gz URFKOGIKSFZZAE-CFVMTHIKSA-N 1 0 260.337 2.916 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c(F)cccc1[N+](=O)[O-] ZINC000286299785 288710106 /nfs/dbraw/zinc/71/01/06/288710106.db2.gz JKMQDUYLPFJLNW-NEPJUHHUSA-N 1 0 293.342 2.797 20 5 CFBDRO C[NH+]1CCC2(CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000376681694 289901810 /nfs/dbraw/zinc/90/18/10/289901810.db2.gz RHJJIRXOGXFBQN-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290214447 290036324 /nfs/dbraw/zinc/03/63/24/290036324.db2.gz QFUCCOAJUFXBQW-XHDPSFHLSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CC(O)C1 ZINC000562406836 290040959 /nfs/dbraw/zinc/04/09/59/290040959.db2.gz FDHBMLZDKRZUDP-LKSINWNRSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000563419270 290147059 /nfs/dbraw/zinc/14/70/59/290147059.db2.gz SPHWPNAOTHXGEL-SMDDNHRTSA-N 1 0 276.336 2.598 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1=CCOCC1 ZINC000564777152 290231333 /nfs/dbraw/zinc/23/13/33/290231333.db2.gz GCWWDDLUFJTGBY-GFCCVEGCSA-N 1 0 276.336 2.901 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000564917657 290249464 /nfs/dbraw/zinc/24/94/64/290249464.db2.gz ZUZNPOOYRUXYNX-GJZGRUSLSA-N 1 0 290.363 2.986 20 5 CFBDRO CC1(C)C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566117462 290349813 /nfs/dbraw/zinc/34/98/13/290349813.db2.gz NKWAYGSPVXENCR-NSHDSACASA-N 1 0 291.351 2.559 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271754370 294335792 /nfs/dbraw/zinc/33/57/92/294335792.db2.gz GPFBZVGPOKANLH-GARJFASQSA-N 1 0 252.314 2.669 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344379566 297642205 /nfs/dbraw/zinc/64/22/05/297642205.db2.gz YLIZWAIHKLDHLQ-NDWLYLDWSA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047729 301330116 /nfs/dbraw/zinc/33/01/16/301330116.db2.gz NFQVTHLKXBSBHS-VXGBXAGGSA-N 1 0 295.358 2.961 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047727 301330336 /nfs/dbraw/zinc/33/03/36/301330336.db2.gz NFQVTHLKXBSBHS-NWDGAFQWSA-N 1 0 295.358 2.961 20 5 CFBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160269540 322335675 /nfs/dbraw/zinc/33/56/75/322335675.db2.gz CTSBVJMXXWWRMW-NWDGAFQWSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCCO ZINC000168273769 322389247 /nfs/dbraw/zinc/38/92/47/322389247.db2.gz ZLZOTIPRHWBONV-NEPJUHHUSA-N 1 0 266.341 2.715 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570695954 322546849 /nfs/dbraw/zinc/54/68/49/322546849.db2.gz CZZKTFHDULPWHR-SGIREYDYSA-N 1 0 290.363 2.987 20 5 CFBDRO COc1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000570920359 322559071 /nfs/dbraw/zinc/55/90/71/322559071.db2.gz IKERLKAMTTWQOV-HAQNSBGRSA-N 1 0 294.351 2.747 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182303949 323855591 /nfs/dbraw/zinc/85/55/91/323855591.db2.gz TYUSHURPLZQUHD-TZMCWYRMSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1c(CN[C@@H](C)[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000386075719 324472694 /nfs/dbraw/zinc/47/26/94/324472694.db2.gz GBSLATCDMWJJNK-GXTWGEPZSA-N 1 0 277.368 2.523 20 5 CFBDRO Cc1c(CN[C@H](C)[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000386075724 324472856 /nfs/dbraw/zinc/47/28/56/324472856.db2.gz GBSLATCDMWJJNK-OCCSQVGLSA-N 1 0 277.368 2.523 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000395161965 324540678 /nfs/dbraw/zinc/54/06/78/324540678.db2.gz DSVZBMURYJVBAO-AWEZNQCLSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000397637618 324547165 /nfs/dbraw/zinc/54/71/65/324547165.db2.gz WREDTAJTNDBZSW-FZMZJTMJSA-N 1 0 278.352 2.998 20 5 CFBDRO CC[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000579614079 324966805 /nfs/dbraw/zinc/96/68/05/324966805.db2.gz PDTOVMXQOQDQOA-GWCFXTLKSA-N 1 0 264.325 2.597 20 5 CFBDRO CC(C)[N@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580889491 325072656 /nfs/dbraw/zinc/07/26/56/325072656.db2.gz HYWKDGWXQDMZTL-UHFFFAOYSA-N 1 0 292.383 2.621 20 5 CFBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735764 325230302 /nfs/dbraw/zinc/23/03/02/325230302.db2.gz NNVICQPJCWUOPI-ZBFHGGJFSA-N 1 0 289.379 2.512 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000583082153 325259039 /nfs/dbraw/zinc/25/90/39/325259039.db2.gz HXNRMTQVNKDGAO-GDBMZVCRSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000583184753 325266915 /nfs/dbraw/zinc/26/69/15/325266915.db2.gz RIBKSNZTKJWELS-IMRBUKKESA-N 1 0 278.352 2.683 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)c1ccccc1 ZINC000583510115 325293167 /nfs/dbraw/zinc/29/31/67/325293167.db2.gz HLAAMNPFYJOUAJ-CVEARBPZSA-N 1 0 298.342 2.905 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443649 519362384 /nfs/dbraw/zinc/36/23/84/519362384.db2.gz AGHBABZTDDTXBS-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO CCCN1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594992103 500664924 /nfs/dbraw/zinc/66/49/24/500664924.db2.gz OYZIVPKVGWXCCE-ZQMJAJRESA-N 1 0 289.379 2.682 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000426525982 533822662 /nfs/dbraw/zinc/82/26/62/533822662.db2.gz SWYHZUTVVMQOAS-STQMWFEESA-N 1 0 276.336 2.978 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2CC23CC3)c([N+](=O)[O-])cc1OC ZINC000418091545 533877726 /nfs/dbraw/zinc/87/77/26/533877726.db2.gz GRLFXTMSGUDOLS-NSHDSACASA-N 1 0 292.335 2.502 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000163409948 533885038 /nfs/dbraw/zinc/88/50/38/533885038.db2.gz QFYHGKFRTRSXNH-ZOWXZIJZSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000413052494 534098322 /nfs/dbraw/zinc/09/83/22/534098322.db2.gz HSHZLAKIKWEKQE-MNOVXSKESA-N 1 0 296.346 2.804 20 5 CFBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000361545138 518938552 /nfs/dbraw/zinc/93/85/52/518938552.db2.gz ZPIGJGXZFLWRMS-GFCCVEGCSA-N 1 0 280.372 2.549 20 5 CFBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000157954292 518972914 /nfs/dbraw/zinc/97/29/14/518972914.db2.gz UPXOEQOIJORTOR-UONOGXRCSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)[N@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130380964 519626431 /nfs/dbraw/zinc/62/64/31/519626431.db2.gz CIXUABDUDKZJOZ-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052246103 519650724 /nfs/dbraw/zinc/65/07/24/519650724.db2.gz GDSFUCKLAKXOMG-UHFFFAOYSA-N 1 0 294.351 2.939 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156406372 519690360 /nfs/dbraw/zinc/69/03/60/519690360.db2.gz NOPZPLRUIYLNAO-JTQLQIEISA-N 1 0 267.304 2.629 20 5 CFBDRO CC(C)C[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000078889960 519720554 /nfs/dbraw/zinc/72/05/54/519720554.db2.gz YXEQKESUCUVHTQ-UHFFFAOYSA-N 1 0 291.395 2.805 20 5 CFBDRO CC1(C)CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000160275150 520404303 /nfs/dbraw/zinc/40/43/03/520404303.db2.gz ULVWEGPRQKELPT-CYBMUJFWSA-N 1 0 264.325 2.642 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000085397765 520549358 /nfs/dbraw/zinc/54/93/58/520549358.db2.gz PTSNBLSHWXPKBN-CABCVRRESA-N 1 0 292.379 2.931 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000172962225 520644035 /nfs/dbraw/zinc/64/40/35/520644035.db2.gz KMOXBWLIQFPLLC-PHIMTYICSA-N 1 0 264.300 2.822 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000195527348 520981565 /nfs/dbraw/zinc/98/15/65/520981565.db2.gz PEAOEMANDCWHOC-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO CCC[C@H]([NH2+]CCN(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054110127 521156368 /nfs/dbraw/zinc/15/63/68/521156368.db2.gz XKMWMINVAXHFQM-HNNXBMFYSA-N 1 0 279.384 2.977 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CSC1(C)C ZINC000338478803 521281877 /nfs/dbraw/zinc/28/18/77/521281877.db2.gz WLECFILXCVVBCP-ZDUSSCGKSA-N 1 0 296.392 2.977 20 5 CFBDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154356437 521426599 /nfs/dbraw/zinc/42/65/99/521426599.db2.gz OXXYHCNOAKLLCY-LLVKDONJSA-N 1 0 293.367 2.537 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000353097459 521611528 /nfs/dbraw/zinc/61/15/28/521611528.db2.gz TUGQZIZOVAYNQN-CYBMUJFWSA-N 1 0 279.384 2.805 20 5 CFBDRO CC[C@@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523129 521991289 /nfs/dbraw/zinc/99/12/89/521991289.db2.gz PNDRVALWYDRUFF-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182118901 522097239 /nfs/dbraw/zinc/09/72/39/522097239.db2.gz YIPSQTNESCXIIX-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000361747655 522487445 /nfs/dbraw/zinc/48/74/45/522487445.db2.gz NRYNWMKGXYQABQ-GXTWGEPZSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000182442690 522859040 /nfs/dbraw/zinc/85/90/40/522859040.db2.gz HGIMNIKNJVMSAP-GXFFZTMASA-N 1 0 252.314 2.670 20 5 CFBDRO C[N@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000059035241 522871077 /nfs/dbraw/zinc/87/10/77/522871077.db2.gz YFRXWUIUNNNOFA-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO Cc1ccc(C[NH2+]CCOC2CCCC2)cc1[N+](=O)[O-] ZINC000070168410 524578473 /nfs/dbraw/zinc/57/84/73/524578473.db2.gz RYWDANFDRWSABC-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO Cc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000230155506 524602530 /nfs/dbraw/zinc/60/25/30/524602530.db2.gz PAXHALWTRDPNOK-RISCZKNCSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cccc(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000218848551 524674861 /nfs/dbraw/zinc/67/48/61/524674861.db2.gz ZAPMBZBZCQORSQ-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO C[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC000314123569 524754467 /nfs/dbraw/zinc/75/44/67/524754467.db2.gz DPRFVPDPRPOWLR-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353095889 524957976 /nfs/dbraw/zinc/95/79/76/524957976.db2.gz QDEYQGJIYOVCKA-HNNXBMFYSA-N 1 0 298.342 2.997 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336807061 525134037 /nfs/dbraw/zinc/13/40/37/525134037.db2.gz FQCJIAFUECSDTH-SKDRFNHKSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]1C[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391042 525236011 /nfs/dbraw/zinc/23/60/11/525236011.db2.gz ZZAJCRQRVYVUEO-HIFRSBDPSA-N 1 0 292.379 2.884 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC1(C)C ZINC000312022716 525461145 /nfs/dbraw/zinc/46/11/45/525461145.db2.gz WQTVILVZQNGJMC-CYBMUJFWSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1ccnc(NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000360280469 525690771 /nfs/dbraw/zinc/69/07/71/525690771.db2.gz WWGHVRCQURQICV-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000310707933 525730025 /nfs/dbraw/zinc/73/00/25/525730025.db2.gz DYPVEXKOOIWNNJ-SKDRFNHKSA-N 1 0 266.366 2.744 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168536867 525745082 /nfs/dbraw/zinc/74/50/82/525745082.db2.gz NVVBGZKZJLJBEZ-VXGBXAGGSA-N 1 0 265.357 2.504 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000361352893 525896156 /nfs/dbraw/zinc/89/61/56/525896156.db2.gz RRAANDNVFZYFSO-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cccc1[N+](=O)[O-] ZINC000305111247 525897752 /nfs/dbraw/zinc/89/77/52/525897752.db2.gz FZQJFQNMMAREEM-DOMZBBRYSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)c1 ZINC000084726455 526060785 /nfs/dbraw/zinc/06/07/85/526060785.db2.gz RRRLEGOTKYLTON-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1(O)CCC1 ZINC000341390846 527397284 /nfs/dbraw/zinc/39/72/84/527397284.db2.gz YEVDHZYKMZGZHQ-UTCJRWHESA-N 1 0 276.336 2.503 20 5 CFBDRO CC(C)(C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176247272 527635232 /nfs/dbraw/zinc/63/52/32/527635232.db2.gz AJBDMEPCUBYGGZ-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO CC(C)c1ccc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424048870 528066644 /nfs/dbraw/zinc/06/66/44/528066644.db2.gz SQWMJLWEYREGOO-UHFFFAOYSA-N 1 0 293.367 2.575 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425956902 528095343 /nfs/dbraw/zinc/09/53/43/528095343.db2.gz GJNAUKNUNZEQNB-GXTWGEPZSA-N 1 0 292.379 2.921 20 5 CFBDRO CCC[C@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311285 528225170 /nfs/dbraw/zinc/22/51/70/528225170.db2.gz BRPWEQVEGZSCBC-GJZGRUSLSA-N 1 0 277.368 2.763 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414851515 528309092 /nfs/dbraw/zinc/30/90/92/528309092.db2.gz OZLIHBOXGPRSDI-VSKVDJIOSA-N 1 0 277.368 2.571 20 5 CFBDRO CCC[NH2+]CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423306609 528517447 /nfs/dbraw/zinc/51/74/47/528517447.db2.gz FBFSMYCWWWUAPR-CQSZACIVSA-N 1 0 265.357 2.635 20 5 CFBDRO CCOCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000131490886 528692537 /nfs/dbraw/zinc/69/25/37/528692537.db2.gz ZRAWILXXLSVXDZ-HNNXBMFYSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC([NH3+])(CC)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423280826 528949673 /nfs/dbraw/zinc/94/96/73/528949673.db2.gz AKLSCTHEBQZQCA-NSHDSACASA-N 1 0 265.357 2.763 20 5 CFBDRO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304985 528955876 /nfs/dbraw/zinc/95/58/76/528955876.db2.gz ZUXHKFUKEHVJPB-WCQYABFASA-N 1 0 265.357 2.763 20 5 CFBDRO CC(C)[C@H]([NH3+])CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266231 529070077 /nfs/dbraw/zinc/07/00/77/529070077.db2.gz DGSUIZBLRWBZLH-HUUCEWRRSA-N 1 0 277.368 2.545 20 5 CFBDRO CC(C)[N@H+](CC[C@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000450288750 535073922 /nfs/dbraw/zinc/07/39/22/535073922.db2.gz UCPAASJVJVPEAE-LBPRGKRZSA-N 1 0 266.341 2.576 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000459458598 535411795 /nfs/dbraw/zinc/41/17/95/535411795.db2.gz FKVDREXOLGAISE-MCIONIFRSA-N 1 0 296.392 2.593 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000459802588 535946685 /nfs/dbraw/zinc/94/66/85/535946685.db2.gz MSHIAZIYAJYGDJ-GDLCADMTSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000746048504 574131982 /nfs/dbraw/zinc/13/19/82/574131982.db2.gz BBOVBYCHXQXDJF-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000740860569 574270094 /nfs/dbraw/zinc/27/00/94/574270094.db2.gz QTKSPDOYVIWOHH-GHMZBOCLSA-N 1 0 274.324 2.632 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(F)cc2)c1 ZINC000749646895 574304211 /nfs/dbraw/zinc/30/42/11/574304211.db2.gz NDJNZJPFPBPXCE-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO CC[N@H+](CC(C)C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749937850 574316471 /nfs/dbraw/zinc/31/64/71/574316471.db2.gz GNXPAUZXBKONKC-UHFFFAOYSA-N 1 0 291.355 2.583 20 5 CFBDRO Cc1nn(C[N@@H+](C)CCC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749943414 574317254 /nfs/dbraw/zinc/31/72/54/574317254.db2.gz FQPBECSXOKNBDV-UHFFFAOYSA-N 1 0 291.355 2.583 20 5 CFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074347 574323377 /nfs/dbraw/zinc/32/33/77/574323377.db2.gz WGZWGWXGBQIRSO-LNSITVRQSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000742428021 574329801 /nfs/dbraw/zinc/32/98/01/574329801.db2.gz YLUVTFWGUXCQNO-JTQLQIEISA-N 1 0 267.304 2.630 20 5 CFBDRO CC[C@@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755879770 574358036 /nfs/dbraw/zinc/35/80/36/574358036.db2.gz JRURKIYQZQPAKN-CYBMUJFWSA-N 1 0 277.368 2.763 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000751925069 574385085 /nfs/dbraw/zinc/38/50/85/574385085.db2.gz LKYZSOXZJRJAMD-LBPRGKRZSA-N 1 0 286.335 2.900 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934395413 618029610 /nfs/dbraw/zinc/02/96/10/618029610.db2.gz JRPSLMAYQZYJKV-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO COCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000234596750 617620625 /nfs/dbraw/zinc/62/06/25/617620625.db2.gz YYKFSOHHSCPZQC-UHFFFAOYSA-N 1 0 266.341 2.810 20 5 CFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068627 617935354 /nfs/dbraw/zinc/93/53/54/617935354.db2.gz REMRCBVYBFDXRQ-CMPLNLGQSA-N 1 0 294.351 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000158656743 618074417 /nfs/dbraw/zinc/07/44/17/618074417.db2.gz NKNFZSHJZPEIHL-INIZCTEOSA-N 1 0 290.363 2.654 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000307763684 618094873 /nfs/dbraw/zinc/09/48/73/618094873.db2.gz JNGGIQZHELZWFO-LBPRGKRZSA-N 1 0 282.315 2.735 20 5 CFBDRO C[N@H+](CCNc1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000234273621 618145288 /nfs/dbraw/zinc/14/52/88/618145288.db2.gz WNRWIXROFDMHLY-UHFFFAOYSA-N 1 0 287.722 2.893 20 5 CFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000178965754 618274577 /nfs/dbraw/zinc/27/45/77/618274577.db2.gz HKBWBOGOIKYDSM-NSHDSACASA-N 1 0 270.329 2.671 20 5 CFBDRO C[C@H]([NH3+])[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925595830 618281524 /nfs/dbraw/zinc/28/15/24/618281524.db2.gz SYHUYEFMYIGCEM-BLLLJJGKSA-N 1 0 285.347 2.773 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351014 618376495 /nfs/dbraw/zinc/37/64/95/618376495.db2.gz XAZHCHIQDJYTEW-ZOWXZIJZSA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640922 618378071 /nfs/dbraw/zinc/37/80/71/618378071.db2.gz KILHCBDQTXCBEA-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640921 618378224 /nfs/dbraw/zinc/37/82/24/618378224.db2.gz KILHCBDQTXCBEA-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO C[NH2+]C(C)(C)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396031 620804820 /nfs/dbraw/zinc/80/48/20/620804820.db2.gz OTJBQRFVZNNJCZ-UHFFFAOYSA-N 1 0 261.281 2.704 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892509869 618434028 /nfs/dbraw/zinc/43/40/28/618434028.db2.gz DEELKDRNVBOILX-ZYHUDNBSSA-N 1 0 294.351 2.977 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2(C)CC=CC2)c1[N+](=O)[O-] ZINC000895203195 618467111 /nfs/dbraw/zinc/46/71/11/618467111.db2.gz XCPUODVOAAFHQS-UHFFFAOYSA-N 1 0 278.308 2.507 20 5 CFBDRO C[NH+](C)CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000895324497 618533362 /nfs/dbraw/zinc/53/33/62/618533362.db2.gz HVNWVRZCHLSFKG-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CC[NH+](C)C)C2)c1 ZINC000895330094 618537408 /nfs/dbraw/zinc/53/74/08/618537408.db2.gz NZEKWZNMFKTGIW-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000895330086 618537543 /nfs/dbraw/zinc/53/75/43/618537543.db2.gz NWMCCKLPCHVBEY-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1cc(NCc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000895466518 618600857 /nfs/dbraw/zinc/60/08/57/618600857.db2.gz VYIYEWFLYDRTSY-UHFFFAOYSA-N 1 0 286.335 2.976 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000840882644 618641876 /nfs/dbraw/zinc/64/18/76/618641876.db2.gz QNGYDPJYWGGCPK-VZJVUDMVSA-N 1 0 295.383 2.623 20 5 CFBDRO CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000103457672 618777717 /nfs/dbraw/zinc/77/77/17/618777717.db2.gz KTFAPXJJJFVJAS-UHFFFAOYSA-N 1 0 286.335 2.900 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000893132335 618842585 /nfs/dbraw/zinc/84/25/85/618842585.db2.gz NJAMLEXJJMBNCK-GSJFWJNXSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)CO ZINC000925516604 618855681 /nfs/dbraw/zinc/85/56/81/618855681.db2.gz WYTCQBVACXGRAU-SECBINFHSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000313457525 618989430 /nfs/dbraw/zinc/98/94/30/618989430.db2.gz CPURPULIGUIDRT-HZMBPMFUSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730149 619031283 /nfs/dbraw/zinc/03/12/83/619031283.db2.gz NWVZRTIZEUTHRR-SWHYSGLUSA-N 1 0 275.352 2.515 20 5 CFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677237 619154049 /nfs/dbraw/zinc/15/40/49/619154049.db2.gz RCLAPXHPXVRWRF-ZYHUDNBSSA-N 1 0 294.351 2.929 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000726606089 619253194 /nfs/dbraw/zinc/25/31/94/619253194.db2.gz SOOAHXQDFJOJMD-DIECRNLCSA-N 1 0 298.346 2.619 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000894315001 619329578 /nfs/dbraw/zinc/32/95/78/619329578.db2.gz MRHQLHLTGNXAQM-HNNXBMFYSA-N 1 0 292.379 2.932 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000894315003 619329811 /nfs/dbraw/zinc/32/98/11/619329811.db2.gz MRHQLHLTGNXAQM-OAHLLOKOSA-N 1 0 292.379 2.932 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894845614 619481166 /nfs/dbraw/zinc/48/11/66/619481166.db2.gz GGRNZGGGSHGDHS-TXEJJXNPSA-N 1 0 284.743 2.905 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000894849156 619482688 /nfs/dbraw/zinc/48/26/88/619482688.db2.gz BLWWNDMILKPLPY-UHFFFAOYSA-N 1 0 299.321 2.794 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000895482303 619540987 /nfs/dbraw/zinc/54/09/87/619540987.db2.gz ULKLYBVDPVLKPU-NSHDSACASA-N 1 0 294.351 2.787 20 5 CFBDRO C[C@@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895735056 619596283 /nfs/dbraw/zinc/59/62/83/619596283.db2.gz CGIAVAADMWBGPB-PWSUYJOCSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000895738711 619598662 /nfs/dbraw/zinc/59/86/62/619598662.db2.gz YQTZZPAPAPMRPH-MFKMUULPSA-N 1 0 286.335 2.648 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C)CC2CCC2)c1[N+](=O)[O-] ZINC000895778432 619605501 /nfs/dbraw/zinc/60/55/01/619605501.db2.gz YABVSNMQBGAMNB-SNVBAGLBSA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000896512334 619747641 /nfs/dbraw/zinc/74/76/41/619747641.db2.gz NYUTWSQFHMKELA-CWSCBRNRSA-N 1 0 266.366 2.997 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCn2cccc2C1 ZINC000896760027 619808874 /nfs/dbraw/zinc/80/88/74/619808874.db2.gz HPUIIVYNQXHRRG-ZZXKWVIFSA-N 1 0 283.331 2.925 20 5 CFBDRO C[C@H](CNc1cc[nH+]c(CO)c1)c1ccccc1[N+](=O)[O-] ZINC000896793397 619819900 /nfs/dbraw/zinc/81/99/00/619819900.db2.gz HOQSMPUXXGFTRK-LLVKDONJSA-N 1 0 287.319 2.698 20 5 CFBDRO C[N@@H+]1C[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912669 619882826 /nfs/dbraw/zinc/88/28/26/619882826.db2.gz CHUQMEFYKQUXSP-YGRLFVJLSA-N 1 0 295.770 2.636 20 5 CFBDRO Cc1cc(N2CCC23CC[NH+](C)CC3)c(F)cc1[N+](=O)[O-] ZINC000897133618 619937528 /nfs/dbraw/zinc/93/75/28/619937528.db2.gz NPFSEEDVWDUZCL-UHFFFAOYSA-N 1 0 293.342 2.717 20 5 CFBDRO Cc1cc(N2CCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000897136779 619939285 /nfs/dbraw/zinc/93/92/85/619939285.db2.gz IMFPLEMPNDMJFV-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1nc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000897461374 620176704 /nfs/dbraw/zinc/17/67/04/620176704.db2.gz NTBSZDBRXGHMPA-JTQLQIEISA-N 1 0 288.351 2.828 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461733 620176714 /nfs/dbraw/zinc/17/67/14/620176714.db2.gz WSCDSBXZJJORBL-PVXIVEMSSA-N 1 0 290.363 2.855 20 5 CFBDRO CCn1nccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463645 620177000 /nfs/dbraw/zinc/17/70/00/620177000.db2.gz AWUORXUKGBDJDX-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO COCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466032 620177200 /nfs/dbraw/zinc/17/72/00/620177200.db2.gz MQORUGPGRQCKQU-VXGBXAGGSA-N 1 0 266.341 2.713 20 5 CFBDRO CCn1ccnc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469350 620178422 /nfs/dbraw/zinc/17/84/22/620178422.db2.gz IMUSNQGTKGQZOP-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000897514603 620200444 /nfs/dbraw/zinc/20/04/44/620200444.db2.gz URJUTPZRKOBHSP-GOEBONIOSA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985396 620318255 /nfs/dbraw/zinc/31/82/55/620318255.db2.gz MJUFQCUKYHSTCW-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898378039 620376548 /nfs/dbraw/zinc/37/65/48/620376548.db2.gz ZEMIIPBWYALNBJ-GJZGRUSLSA-N 1 0 290.363 2.726 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c(Cl)c1 ZINC000898381726 620378284 /nfs/dbraw/zinc/37/82/84/620378284.db2.gz LKNIWECZKSWMKA-OCCSQVGLSA-N 1 0 296.754 2.763 20 5 CFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564630 625417607 /nfs/dbraw/zinc/41/76/07/625417607.db2.gz IHMWMSLRODSRHI-BXUZGUMPSA-N 1 0 278.352 2.891 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000927023624 620441511 /nfs/dbraw/zinc/44/15/11/620441511.db2.gz DTVXEKPTWFFGCR-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO [NH3+][C@H]1CCc2cc(-c3cc([N+](=O)[O-])ccc3CO)ccc2C1 ZINC000899322178 620543438 /nfs/dbraw/zinc/54/34/38/620543438.db2.gz DWONIBUNMKPIPF-HNNXBMFYSA-N 1 0 298.342 2.570 20 5 CFBDRO Cc1nn(C[C@@H]2CCCC[NH2+]C2)c2ccc([N+](=O)[O-])cc12 ZINC000899628776 620588139 /nfs/dbraw/zinc/58/81/39/620588139.db2.gz DNNVVCCOELPNGW-GFCCVEGCSA-N 1 0 288.351 2.643 20 5 CFBDRO Cc1nc(-c2ccc(CC[NH2+]CC[N+](=O)[O-])s2)cs1 ZINC000899865363 620608003 /nfs/dbraw/zinc/60/80/03/620608003.db2.gz RXQDQVUKRKOFFZ-UHFFFAOYSA-N 1 0 297.405 2.589 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000899874993 620608043 /nfs/dbraw/zinc/60/80/43/620608043.db2.gz BDGZRUMFDVZXDM-UHFFFAOYSA-N 1 0 276.258 2.504 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H]2C2CCCC2)c1 ZINC000899912915 620612700 /nfs/dbraw/zinc/61/27/00/620612700.db2.gz SWMMRSQFVBKBEX-HOTGVXAUSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000902443152 621081627 /nfs/dbraw/zinc/08/16/27/621081627.db2.gz KETUDXKNGMLGHA-YMRXKLBXSA-N 1 0 297.358 2.870 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc([N+](=O)[O-])c1 ZINC000903110611 621257188 /nfs/dbraw/zinc/25/71/88/621257188.db2.gz PNOIXLKOOSAMIE-NHYWBVRUSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903110235 621257265 /nfs/dbraw/zinc/25/72/65/621257265.db2.gz BLSRVDJUYGMFPH-SNVBAGLBSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@]2(C)CCOC2)cc([N+](=O)[O-])c1 ZINC000903096273 621259340 /nfs/dbraw/zinc/25/93/40/621259340.db2.gz BNNHEGVCDOXWEA-NHYWBVRUSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903147093 621268396 /nfs/dbraw/zinc/26/83/96/621268396.db2.gz FCNNAZFHNDORLE-NEPJUHHUSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC2=CCCOC2)cc([N+](=O)[O-])c1 ZINC000903172534 621274144 /nfs/dbraw/zinc/27/41/44/621274144.db2.gz ZWBJPTOFCNTJOG-NSHDSACASA-N 1 0 292.335 2.601 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903178317 621275580 /nfs/dbraw/zinc/27/55/80/621275580.db2.gz GGAXCTYTNMQYMC-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000903177951 621275965 /nfs/dbraw/zinc/27/59/65/621275965.db2.gz SMWCWMMWIXQDNE-YGRLFVJLSA-N 1 0 296.367 2.804 20 5 CFBDRO C[C@H](CCCCO)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244812 621295604 /nfs/dbraw/zinc/29/56/04/621295604.db2.gz DRQLKIMMHPIBLR-CHWSQXEVSA-N 1 0 280.368 2.839 20 5 CFBDRO C[C@H](CCCCO)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244814 621295835 /nfs/dbraw/zinc/29/58/35/621295835.db2.gz DRQLKIMMHPIBLR-QWHCGFSZSA-N 1 0 280.368 2.839 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245717 621296343 /nfs/dbraw/zinc/29/63/43/621296343.db2.gz OMQNFAITOANQGX-SMDDNHRTSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286842 621318453 /nfs/dbraw/zinc/31/84/53/621318453.db2.gz ICZMUSOUUHCTFD-HWWQOWPSSA-N 1 0 289.379 2.728 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288185 621319131 /nfs/dbraw/zinc/31/91/31/621319131.db2.gz UJIRTFZIOFBGBM-OUCADQQQSA-N 1 0 289.379 2.871 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000903395168 621353395 /nfs/dbraw/zinc/35/33/95/621353395.db2.gz JJXTWBXMHJHNEQ-XHVZSJERSA-N 1 0 264.325 2.589 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000903390787 621360007 /nfs/dbraw/zinc/36/00/07/621360007.db2.gz JNQNHMJZQFTZRW-IUCAKERBSA-N 1 0 270.304 2.544 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903436156 621374200 /nfs/dbraw/zinc/37/42/00/621374200.db2.gz HOEQJFOZDZMHQB-LKTVYLICSA-N 1 0 276.336 2.670 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C/C=C/Cl)n1 ZINC000903445823 621384110 /nfs/dbraw/zinc/38/41/10/621384110.db2.gz WGIQAGFGBJQLJN-RYBICEQDSA-N 1 0 284.747 2.617 20 5 CFBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000903470248 621389036 /nfs/dbraw/zinc/38/90/36/621389036.db2.gz IVOUFQABXIFIPS-FZMZJTMJSA-N 1 0 275.352 2.530 20 5 CFBDRO C[NH2+]C[C@@H](C)c1noc(-c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000904077557 621517524 /nfs/dbraw/zinc/51/75/24/621517524.db2.gz XGZLUEHUBHDECC-SECBINFHSA-N 1 0 290.323 2.585 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000905089455 621693433 /nfs/dbraw/zinc/69/34/33/621693433.db2.gz PMXIWLBJRXYIMW-UHFFFAOYSA-N 1 0 288.269 2.603 20 5 CFBDRO CC(C)c1ccc(CCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905120388 621703187 /nfs/dbraw/zinc/70/31/87/621703187.db2.gz XOQKZIVCMANXFN-UHFFFAOYSA-N 1 0 250.342 2.609 20 5 CFBDRO CCC(CC)(C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905385851 621752747 /nfs/dbraw/zinc/75/27/47/621752747.db2.gz MULRWAMVWZCBDO-UHFFFAOYSA-N 1 0 268.332 2.750 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905473899 621773544 /nfs/dbraw/zinc/77/35/44/621773544.db2.gz OGNUYIKLRLLCNP-TTYNXUAHSA-N 1 0 290.363 2.510 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2CC=CC2)c1 ZINC000905578574 621796894 /nfs/dbraw/zinc/79/68/94/621796894.db2.gz IZQOHWISHSBKHY-OAHLLOKOSA-N 1 0 276.336 2.574 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000905611551 621804350 /nfs/dbraw/zinc/80/43/50/621804350.db2.gz XCFOIBAONFUZDZ-MPKXVKKWSA-N 1 0 296.392 2.502 20 5 CFBDRO O=[N+]([O-])c1ncccc1COc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000905615428 621805682 /nfs/dbraw/zinc/80/56/82/621805682.db2.gz HJTPICSWHAAVRK-HNNXBMFYSA-N 1 0 299.330 2.993 20 5 CFBDRO COC[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081053772 625569048 /nfs/dbraw/zinc/56/90/48/625569048.db2.gz UYWWFAWFNYNUJD-NSHDSACASA-N 1 0 284.743 2.717 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000055084623 622932983 /nfs/dbraw/zinc/93/29/83/622932983.db2.gz BFSUHFHDONUNLX-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000164246671 622942928 /nfs/dbraw/zinc/94/29/28/622942928.db2.gz QCMLGABFJZSRHY-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000169016246 623111425 /nfs/dbraw/zinc/11/14/25/623111425.db2.gz YVLYZAMHAKUHDV-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351083 623266117 /nfs/dbraw/zinc/26/61/17/623266117.db2.gz WALKLBRQKLLUCJ-MRXNPFEDSA-N 1 0 286.331 2.760 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249953 623271986 /nfs/dbraw/zinc/27/19/86/623271986.db2.gz NKYCNSBEHXHXQT-HUUCEWRRSA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249941 623272677 /nfs/dbraw/zinc/27/26/77/623272677.db2.gz NKYCNSBEHXHXQT-GJZGRUSLSA-N 1 0 296.342 2.859 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000230669873 623289808 /nfs/dbraw/zinc/28/98/08/623289808.db2.gz ANLNDLNCQVXMTQ-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230701617 623292598 /nfs/dbraw/zinc/29/25/98/623292598.db2.gz SXQRPJUUHGLZSS-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063169301 623330160 /nfs/dbraw/zinc/33/01/60/623330160.db2.gz ZAAALDDCFYOPDK-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081545006 625645518 /nfs/dbraw/zinc/64/55/18/625645518.db2.gz SNVXAHQEBMXYNE-LLVKDONJSA-N 1 0 280.324 2.589 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000888261450 623453747 /nfs/dbraw/zinc/45/37/47/623453747.db2.gz QTAYBMUQVMNMQP-RYUDHWBXSA-N 1 0 292.335 2.539 20 5 CFBDRO C[C@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824653794 623539840 /nfs/dbraw/zinc/53/98/40/623539840.db2.gz IDBIWRXXSDRJRX-SNVBAGLBSA-N 1 0 286.759 2.889 20 5 CFBDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929751442 623561968 /nfs/dbraw/zinc/56/19/68/623561968.db2.gz VMSLUXCYYMDDPO-AWEZNQCLSA-N 1 0 268.332 2.601 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](C(F)F)C1 ZINC000761107762 623721433 /nfs/dbraw/zinc/72/14/33/623721433.db2.gz HNHFSMRIXDJETE-MRVPVSSYSA-N 1 0 274.242 2.821 20 5 CFBDRO CC(=O)OC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153283075 623913463 /nfs/dbraw/zinc/91/34/63/623913463.db2.gz UGMZOMGSJXHZLV-LLVKDONJSA-N 1 0 292.335 2.683 20 5 CFBDRO CCCN(Cc1ccc(C)cc1)Cn1nccc1[N+](=O)[O-] ZINC000917455810 624344765 /nfs/dbraw/zinc/34/47/65/624344765.db2.gz DBPXHZLYYJKBCU-UHFFFAOYSA-N 1 0 288.351 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000830565977 624779648 /nfs/dbraw/zinc/77/96/48/624779648.db2.gz CMADKKUPEPZLDY-JIMOISOXSA-N 1 0 291.307 2.781 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000831971969 625198790 /nfs/dbraw/zinc/19/87/90/625198790.db2.gz YRPIVNHZBDOONY-CYBMUJFWSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(OCC2CC[NH2+]CC2)c1 ZINC000070089148 625264392 /nfs/dbraw/zinc/26/43/92/625264392.db2.gz XFIVFXGGMFGQHB-UHFFFAOYSA-N 1 0 270.716 2.627 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000922574198 626313149 /nfs/dbraw/zinc/31/31/49/626313149.db2.gz KIUMYYQHLLRVRL-CYBMUJFWSA-N 1 0 277.368 2.512 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1[N+](=O)[O-] ZINC000922722754 626352702 /nfs/dbraw/zinc/35/27/02/626352702.db2.gz VUKCSUMDHOZJPE-ZNMIVQPWSA-N 1 0 288.347 2.584 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCO1 ZINC000922816760 626372076 /nfs/dbraw/zinc/37/20/76/626372076.db2.gz KWXMJHPDGBBNPR-LBPRGKRZSA-N 1 0 270.354 2.705 20 5 CFBDRO COc1ccc(C[N@H+](CC[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000929333123 626406649 /nfs/dbraw/zinc/40/66/49/626406649.db2.gz VWLMBBVHQJPWEO-GFCCVEGCSA-N 1 0 278.352 2.572 20 5 CFBDRO Cc1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000923032541 626444555 /nfs/dbraw/zinc/44/45/55/626444555.db2.gz DZSSCKFFAYKFPC-XJKSGUPXSA-N 1 0 288.347 2.704 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759878321 626699592 /nfs/dbraw/zinc/69/95/92/626699592.db2.gz WFHGTGMPMKJJMT-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccco2)cc1Cl ZINC000761520342 626842362 /nfs/dbraw/zinc/84/23/62/626842362.db2.gz BHXKEHAJPNHZOC-GFCCVEGCSA-N 1 0 296.710 2.664 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000761527910 626842851 /nfs/dbraw/zinc/84/28/51/626842851.db2.gz SFQKQOFUUCSJLW-GFCCVEGCSA-N 1 0 270.716 2.517 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026012 627114286 /nfs/dbraw/zinc/11/42/86/627114286.db2.gz BXDCIBWTTWGBPE-WDEREUQCSA-N 1 0 288.351 2.941 20 5 CFBDRO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049302 627115640 /nfs/dbraw/zinc/11/56/40/627115640.db2.gz OGOKYELCZCNMBU-GHMZBOCLSA-N 1 0 288.351 2.798 20 5 CFBDRO CC(C)(C)OCC(=[NH2+])NOCc1c(F)cccc1[N+](=O)[O-] ZINC000768931770 627387508 /nfs/dbraw/zinc/38/75/08/627387508.db2.gz LNPJGHWTHRMYTM-UHFFFAOYSA-N 1 0 299.302 2.547 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(C(F)F)C2)cc1 ZINC000769512915 627449827 /nfs/dbraw/zinc/44/98/27/627449827.db2.gz VOSKQKAPXWKUFN-UHFFFAOYSA-N 1 0 270.279 2.771 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000851905175 634582060 /nfs/dbraw/zinc/58/20/60/634582060.db2.gz BBFBPAINBHFFJN-NEPJUHHUSA-N 1 0 294.351 2.787 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000770702385 627543081 /nfs/dbraw/zinc/54/30/81/627543081.db2.gz YPWYBMMHTWANEX-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO CC[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000775387207 628018889 /nfs/dbraw/zinc/01/88/89/628018889.db2.gz KOGFZQONBVXIPL-OAHLLOKOSA-N 1 0 288.351 2.706 20 5 CFBDRO C[NH2+]C(C)(C)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000775681665 628054711 /nfs/dbraw/zinc/05/47/11/628054711.db2.gz QILVWWXJKGLGJS-UHFFFAOYSA-N 1 0 280.353 2.614 20 5 CFBDRO CC(C)CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277936 628125184 /nfs/dbraw/zinc/12/51/84/628125184.db2.gz QZPMINQKTHPROP-AWEZNQCLSA-N 1 0 266.341 2.606 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776271267 628125247 /nfs/dbraw/zinc/12/52/47/628125247.db2.gz JPPZANGZBWJTDW-OAHLLOKOSA-N 1 0 290.319 2.662 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581978 628160456 /nfs/dbraw/zinc/16/04/56/628160456.db2.gz KLTSVIMLAVRVKF-RISCZKNCSA-N 1 0 266.341 2.606 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776584293 628161619 /nfs/dbraw/zinc/16/16/19/628161619.db2.gz KIBVIDBZZYHBLC-XUJVJEKNSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H](C1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000777400908 628222155 /nfs/dbraw/zinc/22/21/55/628222155.db2.gz FXWPMOHKVQGNRE-LBPRGKRZSA-N 1 0 275.352 2.515 20 5 CFBDRO CCc1nocc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852097420 634650855 /nfs/dbraw/zinc/65/08/55/634650855.db2.gz VDZSQHUTNBAVDM-JTQLQIEISA-N 1 0 275.308 2.996 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000779858788 628414892 /nfs/dbraw/zinc/41/48/92/628414892.db2.gz FLGZEZSMTBFDIG-LBPRGKRZSA-N 1 0 266.345 2.568 20 5 CFBDRO Cn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783638821 628729624 /nfs/dbraw/zinc/72/96/24/628729624.db2.gz OYKWLNJOPMAAGH-UHFFFAOYSA-N 1 0 279.727 2.877 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677120 628733480 /nfs/dbraw/zinc/73/34/80/628733480.db2.gz UCCKBLOKPLMQDW-OTDNITJGSA-N 1 0 284.743 2.665 20 5 CFBDRO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350112 628808226 /nfs/dbraw/zinc/80/82/26/628808226.db2.gz YETSUWSORWQWJJ-DOMZBBRYSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000785600460 628896825 /nfs/dbraw/zinc/89/68/25/628896825.db2.gz AJYLAJCNBHUMNJ-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@@H]([NH2+]CCOC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788573429 629082624 /nfs/dbraw/zinc/08/26/24/629082624.db2.gz QDQLMUGWDYDQEJ-LLVKDONJSA-N 1 0 293.367 2.787 20 5 CFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000790552126 629247517 /nfs/dbraw/zinc/24/75/17/629247517.db2.gz UMARLWYJPSUESK-UTUOFQBUSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000791052399 629284334 /nfs/dbraw/zinc/28/43/34/629284334.db2.gz MVZPKNKXESAAFO-LBPRGKRZSA-N 1 0 252.314 2.782 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1F ZINC000792925343 629466752 /nfs/dbraw/zinc/46/67/52/629466752.db2.gz JYFOYMLKYQSECU-ZDUSSCGKSA-N 1 0 296.342 2.861 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423209 634742024 /nfs/dbraw/zinc/74/20/24/634742024.db2.gz WWHNFBLQWJRXLP-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[Si](C)(C)C ZINC000796115169 629877659 /nfs/dbraw/zinc/87/76/59/629877659.db2.gz YHLIYWMKQFLQGA-UHFFFAOYSA-N 1 0 266.417 2.947 20 5 CFBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533562 634772669 /nfs/dbraw/zinc/77/26/69/634772669.db2.gz AZMWAGSCWOJFRX-BXUZGUMPSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797126943 630022839 /nfs/dbraw/zinc/02/28/39/630022839.db2.gz CNTVPGZSKLCKRM-BLLLJJGKSA-N 1 0 289.379 2.952 20 5 CFBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000798405486 630187385 /nfs/dbraw/zinc/18/73/85/630187385.db2.gz IZUUDZRAGVBYHU-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545219 630456034 /nfs/dbraw/zinc/45/60/34/630456034.db2.gz KXMYOXXDEYPUJC-UEKVPHQBSA-N 1 0 296.342 2.715 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804379374 630678188 /nfs/dbraw/zinc/67/81/88/630678188.db2.gz LLLVCIJIGJUGRV-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO [NH3+]CC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843122638 630791183 /nfs/dbraw/zinc/79/11/83/630791183.db2.gz DFBNRLBXDFNYBL-LBPRGKRZSA-N 1 0 297.786 2.952 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778551 631047395 /nfs/dbraw/zinc/04/73/95/631047395.db2.gz ZRXUDHNMZHZDTD-GDBMZVCRSA-N 1 0 290.363 2.750 20 5 CFBDRO [NH3+]CCN(CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000809734655 631273877 /nfs/dbraw/zinc/27/38/77/631273877.db2.gz JKJLTJGRNZCLRT-UHFFFAOYSA-N 1 0 277.368 2.940 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000841105631 631341688 /nfs/dbraw/zinc/34/16/88/631341688.db2.gz TTZMUELAIIHDOP-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H]1C ZINC000841693687 631453846 /nfs/dbraw/zinc/45/38/46/631453846.db2.gz VGNIJACHAVJQHN-WOPDTQHZSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@H]1[C@@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000842166206 631558179 /nfs/dbraw/zinc/55/81/79/631558179.db2.gz JNJXHMQHWZHAPP-BLTAXRJOSA-N 1 0 278.352 2.605 20 5 CFBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476212 631640479 /nfs/dbraw/zinc/64/04/79/631640479.db2.gz JEDWCQFKFVBVSQ-ZDUSSCGKSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843051227 631815329 /nfs/dbraw/zinc/81/53/29/631815329.db2.gz GAJRRHIZYYGWDK-GHMZBOCLSA-N 1 0 297.786 2.807 20 5 CFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000843051311 631816567 /nfs/dbraw/zinc/81/65/67/631816567.db2.gz WNQVIMGWEFOWHS-AAEUAGOBSA-N 1 0 297.786 2.807 20 5 CFBDRO CC(C)[C@@H]([NH3+])c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000843146951 631858935 /nfs/dbraw/zinc/85/89/35/631858935.db2.gz VPNCJCSMHDMMOD-OQHXTRMZSA-N 1 0 288.307 2.804 20 5 CFBDRO COC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000813330793 631903014 /nfs/dbraw/zinc/90/30/14/631903014.db2.gz AKZXHEJFBPCBTM-CYBMUJFWSA-N 1 0 294.351 2.520 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CO1 ZINC000843431726 631957133 /nfs/dbraw/zinc/95/71/33/631957133.db2.gz CECMLFJHYMHHBH-WPRPVWTQSA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554195 632287805 /nfs/dbraw/zinc/28/78/05/632287805.db2.gz UPSUKWISUOCEPI-SNVBAGLBSA-N 1 0 275.308 2.663 20 5 CFBDRO CSCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581481 632292115 /nfs/dbraw/zinc/29/21/15/632292115.db2.gz HMTHFIULAPQITN-SNVBAGLBSA-N 1 0 283.397 2.971 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815587891 632292959 /nfs/dbraw/zinc/29/29/59/632292959.db2.gz WTRHKUWHUKMJAI-QCZZGDTMSA-N 1 0 293.367 2.641 20 5 CFBDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587542 632293044 /nfs/dbraw/zinc/29/30/44/632293044.db2.gz NBNYNGKVNZSCFJ-SSDOTTSWSA-N 1 0 277.246 2.780 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816660595 632506006 /nfs/dbraw/zinc/50/60/06/632506006.db2.gz JPOFEVVVBXAJSE-LBPRGKRZSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000817369078 632615861 /nfs/dbraw/zinc/61/58/61/632615861.db2.gz QIGSROOWRCGXQU-CQSZACIVSA-N 1 0 292.383 2.878 20 5 CFBDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817587404 632672480 /nfs/dbraw/zinc/67/24/80/632672480.db2.gz WGIKNWWAYNKJRK-LLVKDONJSA-N 1 0 293.367 2.523 20 5 CFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846703912 632778450 /nfs/dbraw/zinc/77/84/50/632778450.db2.gz RIFGUHWFARFYJH-MWLCHTKSSA-N 1 0 283.759 2.560 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccsc2)c1 ZINC000818952432 632914518 /nfs/dbraw/zinc/91/45/18/632914518.db2.gz LPCAWDLFJNIMML-CQSZACIVSA-N 1 0 292.360 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccsc2)c1 ZINC000818952431 632914606 /nfs/dbraw/zinc/91/46/06/632914606.db2.gz LPCAWDLFJNIMML-AWEZNQCLSA-N 1 0 292.360 2.522 20 5 CFBDRO CCC(CC)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017018 632931300 /nfs/dbraw/zinc/93/13/00/632931300.db2.gz BGPVEVVACFMPQP-CQSZACIVSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000819075382 632953663 /nfs/dbraw/zinc/95/36/63/632953663.db2.gz IGUREHAGVVTTPG-SMDDNHRTSA-N 1 0 280.368 2.900 20 5 CFBDRO CC(C)[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819093014 632962949 /nfs/dbraw/zinc/96/29/49/632962949.db2.gz IKAZRVWECIEHLR-RISCZKNCSA-N 1 0 266.341 2.510 20 5 CFBDRO CC(C)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819185564 633006252 /nfs/dbraw/zinc/00/62/52/633006252.db2.gz LAGIZNPIFVOKGE-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO CSC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819270848 633047994 /nfs/dbraw/zinc/04/79/94/633047994.db2.gz JNHSFKPMDKMJSG-ZDUSSCGKSA-N 1 0 296.392 2.504 20 5 CFBDRO C[C@@H]1CCCN1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530850 633279176 /nfs/dbraw/zinc/27/91/76/633279176.db2.gz HLZSZWGITYFWFW-DOMZBBRYSA-N 1 0 289.379 2.656 20 5 CFBDRO COc1cncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000850272927 633922647 /nfs/dbraw/zinc/92/26/47/633922647.db2.gz CEDIPEWGTIOWHU-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000850312278 633937907 /nfs/dbraw/zinc/93/79/07/633937907.db2.gz GTSZNSWBSMRUEB-NSHDSACASA-N 1 0 286.335 2.588 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367511 633957624 /nfs/dbraw/zinc/95/76/24/633957624.db2.gz LRKRQERTZGTQHK-JHAQOBCDSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850369402 633960091 /nfs/dbraw/zinc/96/00/91/633960091.db2.gz JIHXMPYMNUPBST-CVEARBPZSA-N 1 0 284.315 2.863 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000850429194 633989238 /nfs/dbraw/zinc/98/92/38/633989238.db2.gz AKOKUYBXYWQADC-AAEUAGOBSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000850461708 634003665 /nfs/dbraw/zinc/00/36/65/634003665.db2.gz JXFQGNXHSKCQPV-YPMHNXCESA-N 1 0 292.335 2.947 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523343 634032059 /nfs/dbraw/zinc/03/20/59/634032059.db2.gz GSEHITSBGDLDKN-RISCZKNCSA-N 1 0 288.347 2.883 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850523414 634032126 /nfs/dbraw/zinc/03/21/26/634032126.db2.gz IQYUKIANQHPUFA-CMPLNLGQSA-N 1 0 291.351 2.539 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000852772941 634831942 /nfs/dbraw/zinc/83/19/42/634831942.db2.gz SUMAUWRUJXBSKN-NSHDSACASA-N 1 0 293.323 2.981 20 5 CFBDRO CN(CC1C[NH+](C)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853824944 635118960 /nfs/dbraw/zinc/11/89/60/635118960.db2.gz UZFPIGZWLNYACC-UHFFFAOYSA-N 1 0 285.294 2.530 20 5 CFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857086120 635928180 /nfs/dbraw/zinc/92/81/80/635928180.db2.gz IXSPNIYNLSBEJL-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000115512578 636017504 /nfs/dbraw/zinc/01/75/04/636017504.db2.gz NCYJDEQTLAAUDP-GXTWGEPZSA-N 1 0 286.335 2.627 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000047540444 650237436 /nfs/dbraw/zinc/23/74/36/650237436.db2.gz TYJSLLGOIYPIOQ-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+](C2CC2)C2CC2)cc1F ZINC000859628711 636629293 /nfs/dbraw/zinc/62/92/93/636629293.db2.gz ZCYZGMMECICXGV-UHFFFAOYSA-N 1 0 250.273 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CC=CCC2)cc1 ZINC000863578210 637701100 /nfs/dbraw/zinc/70/11/00/637701100.db2.gz HHUHIXLGHOYYDW-XJKSGUPXSA-N 1 0 290.363 2.964 20 5 CFBDRO CC[NH2+][C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000863676640 637740816 /nfs/dbraw/zinc/74/08/16/637740816.db2.gz CFEAZCOZVTVLBX-SECBINFHSA-N 1 0 276.296 2.624 20 5 CFBDRO CC[NH2+][C@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000863676911 637742353 /nfs/dbraw/zinc/74/23/53/637742353.db2.gz DXZQHZULUHJUMG-SECBINFHSA-N 1 0 276.296 2.624 20 5 CFBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000865699598 638523233 /nfs/dbraw/zinc/52/32/33/638523233.db2.gz CNDJLVXZDAWWDU-GHMZBOCLSA-N 1 0 284.381 2.686 20 5 CFBDRO Cc1ccc(CNCc2cnn(C)c2Cl)cc1[N+](=O)[O-] ZINC000865787267 638574357 /nfs/dbraw/zinc/57/43/57/638574357.db2.gz JVLWOOCTSBJFRE-UHFFFAOYSA-N 1 0 294.742 2.580 20 5 CFBDRO Cc1ccc(CNCc2cn(C3CC3)cn2)cc1[N+](=O)[O-] ZINC000865786832 638574566 /nfs/dbraw/zinc/57/45/66/638574566.db2.gz FJYSGLBNCPZABM-UHFFFAOYSA-N 1 0 286.335 2.724 20 5 CFBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000865806574 638583499 /nfs/dbraw/zinc/58/34/99/638583499.db2.gz KSZUWZULKARHIP-KRWDZBQOSA-N 1 0 297.358 2.871 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)c(F)c1 ZINC000865859605 638620531 /nfs/dbraw/zinc/62/05/31/638620531.db2.gz URMTVRJXXWFYFS-KGLIPLIRSA-N 1 0 280.299 2.535 20 5 CFBDRO C[N@@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CCC1(C)C ZINC000866112436 638743460 /nfs/dbraw/zinc/74/34/60/638743460.db2.gz AHZDYKILGZBOGV-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866207939 638770982 /nfs/dbraw/zinc/77/09/82/638770982.db2.gz RUYKSSNBSFTBBZ-CMPLNLGQSA-N 1 0 295.770 2.779 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242889 638778407 /nfs/dbraw/zinc/77/84/07/638778407.db2.gz UFXULQDIFIFFQM-WDEREUQCSA-N 1 0 284.331 2.537 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866252721 638780844 /nfs/dbraw/zinc/78/08/44/638780844.db2.gz OBMKVUVJCXDNKY-WDEREUQCSA-N 1 0 284.331 2.680 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866271985 638785958 /nfs/dbraw/zinc/78/59/58/638785958.db2.gz HGDVUBXFSNPAIM-FZMZJTMJSA-N 1 0 298.358 2.926 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000866304383 638792998 /nfs/dbraw/zinc/79/29/98/638792998.db2.gz WYYHBWDUOIVUQN-BXKDBHETSA-N 1 0 284.356 2.760 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866355872 638803136 /nfs/dbraw/zinc/80/31/36/638803136.db2.gz FYZWHEBBAKPZLM-DGCLKSJQSA-N 1 0 298.358 2.519 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374002 638808297 /nfs/dbraw/zinc/80/82/97/638808297.db2.gz ZDXVEWYPGQUXDA-RYUDHWBXSA-N 1 0 298.358 2.927 20 5 CFBDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866505286 638831833 /nfs/dbraw/zinc/83/18/33/638831833.db2.gz KCVYAJGLQSGARK-JTQLQIEISA-N 1 0 281.356 2.643 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000866541354 638839285 /nfs/dbraw/zinc/83/92/85/638839285.db2.gz YYLRHMRDBVQYLV-NSHDSACASA-N 1 0 286.335 2.852 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000866541353 638839413 /nfs/dbraw/zinc/83/94/13/638839413.db2.gz YYLRHMRDBVQYLV-LLVKDONJSA-N 1 0 286.335 2.852 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866635349 638858706 /nfs/dbraw/zinc/85/87/06/638858706.db2.gz ZZKJWOSCCOMZNP-COPLHBTASA-N 1 0 298.358 2.804 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725197 638871122 /nfs/dbraw/zinc/87/11/22/638871122.db2.gz PPWMQWHVMWSDIG-CHWSQXEVSA-N 1 0 295.770 2.575 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000122561602 639216917 /nfs/dbraw/zinc/21/69/17/639216917.db2.gz RDVLPCZSABKMDC-OCCSQVGLSA-N 1 0 280.368 2.961 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(c3ccccc3)C2)c1 ZINC000871988066 641544207 /nfs/dbraw/zinc/54/42/07/641544207.db2.gz HRACHHLOYMWZRC-QGZVFWFLSA-N 1 0 298.342 2.728 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+](C)C ZINC000872017362 641548006 /nfs/dbraw/zinc/54/80/06/641548006.db2.gz ZZMPFTWYLAXMJI-LLVKDONJSA-N 1 0 297.424 2.919 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019882 641550757 /nfs/dbraw/zinc/55/07/57/641550757.db2.gz BAAGTLHHTWAGDI-GHMZBOCLSA-N 1 0 292.314 2.670 20 5 CFBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019884 641551395 /nfs/dbraw/zinc/55/13/95/641551395.db2.gz BAAGTLHHTWAGDI-QWRGUYRKSA-N 1 0 292.314 2.670 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021421 641552370 /nfs/dbraw/zinc/55/23/70/641552370.db2.gz PFAXZISLNMDTKH-WDEREUQCSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024948 641556215 /nfs/dbraw/zinc/55/62/15/641556215.db2.gz XPBKUJZQYPDIAV-QWRGUYRKSA-N 1 0 282.315 2.811 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872028918 641559528 /nfs/dbraw/zinc/55/95/28/641559528.db2.gz NINDALIHJGVUNM-SNVBAGLBSA-N 1 0 284.331 2.936 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033672 641564833 /nfs/dbraw/zinc/56/48/33/641564833.db2.gz DIOZDORZNGPQCE-QMTHXVAHSA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036323 641568098 /nfs/dbraw/zinc/56/80/98/641568098.db2.gz RKHBWRUDVJEPMF-RYUDHWBXSA-N 1 0 295.358 2.726 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C(C)C ZINC000872035980 641568838 /nfs/dbraw/zinc/56/88/38/641568838.db2.gz RGGDQMHBRLZSAD-GWCFXTLKSA-N 1 0 298.408 2.984 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000872040606 641574653 /nfs/dbraw/zinc/57/46/53/641574653.db2.gz ZINXDPPVTONVFA-OUAUKWLOSA-N 1 0 282.315 2.810 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CC1 ZINC000872040156 641574693 /nfs/dbraw/zinc/57/46/93/641574693.db2.gz LAHBRQNRWRSSBS-SNVBAGLBSA-N 1 0 296.392 2.740 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872045326 641580469 /nfs/dbraw/zinc/58/04/69/641580469.db2.gz ZKGHOSNXOGXSAF-SECBINFHSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046440 641581405 /nfs/dbraw/zinc/58/14/05/641581405.db2.gz HKTSFDRGNNSNNU-MNOVXSKESA-N 1 0 292.314 2.670 20 5 CFBDRO COC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872059878 641592887 /nfs/dbraw/zinc/59/28/87/641592887.db2.gz JTAGWYRYRHYAMJ-SNVBAGLBSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@H]([NH2+]CC1(CO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063000 641594001 /nfs/dbraw/zinc/59/40/01/641594001.db2.gz SGUDCQSEJHMLON-JTQLQIEISA-N 1 0 282.315 2.547 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063495 641594948 /nfs/dbraw/zinc/59/49/48/641594948.db2.gz QQAOHSJJVVKLMS-KPXOXKRLSA-N 1 0 282.315 2.544 20 5 CFBDRO C[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000872073064 641605040 /nfs/dbraw/zinc/60/50/40/641605040.db2.gz LZAZLRVNWXEIMI-GHMZBOCLSA-N 1 0 283.347 2.582 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)O ZINC000872074684 641605462 /nfs/dbraw/zinc/60/54/62/641605462.db2.gz ZULLBPKYVVDJTP-SKDRFNHKSA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074164 641606053 /nfs/dbraw/zinc/60/60/53/641606053.db2.gz YDSKRWCLCSAAMS-ZWNOBZJWSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079355 641612004 /nfs/dbraw/zinc/61/20/04/641612004.db2.gz XUIQDWLEWNDMEZ-RNCFNFMXSA-N 1 0 282.315 2.546 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000872128473 641656636 /nfs/dbraw/zinc/65/66/36/641656636.db2.gz RPVGSCBHEGKOHG-TUAOUCFPSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCC2CC2)c1 ZINC000872231465 641710614 /nfs/dbraw/zinc/71/06/14/641710614.db2.gz KVUBOUFDYJFHQV-OAHLLOKOSA-N 1 0 278.352 2.798 20 5 CFBDRO Cc1nn(C[N@@H+](C)C[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000872819327 641946266 /nfs/dbraw/zinc/94/62/66/641946266.db2.gz XYRIVRXTWRMAKD-SNVBAGLBSA-N 1 0 268.361 2.671 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020042 641986351 /nfs/dbraw/zinc/98/63/51/641986351.db2.gz BZGBSDVIEYDORC-AWEZNQCLSA-N 1 0 291.395 2.725 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCCO1 ZINC000873022413 641987223 /nfs/dbraw/zinc/98/72/23/641987223.db2.gz AXCLCKDFFWTYIK-CYBMUJFWSA-N 1 0 278.352 2.870 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000873075302 642005281 /nfs/dbraw/zinc/00/52/81/642005281.db2.gz UWCRUKCJSKELDG-IAGOWNOFSA-N 1 0 298.342 2.651 20 5 CFBDRO COC(=O)C(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873076060 642006808 /nfs/dbraw/zinc/00/68/08/642006808.db2.gz RPFUYKMUVXNEMK-UHFFFAOYSA-N 1 0 294.351 2.500 20 5 CFBDRO Cc1c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cnn1C ZINC000873098162 642012255 /nfs/dbraw/zinc/01/22/55/642012255.db2.gz MKFJEYNUKXQSPV-UHFFFAOYSA-N 1 0 288.351 2.543 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000873109760 642014303 /nfs/dbraw/zinc/01/43/03/642014303.db2.gz CMCQZKLVJIJMOQ-DZGCQCFKSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CO)CC2CCC2)cccc1[N+](=O)[O-] ZINC000873117674 642018022 /nfs/dbraw/zinc/01/80/22/642018022.db2.gz LTRVTLKEOYGZJF-CQSZACIVSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000873130266 642022567 /nfs/dbraw/zinc/02/25/67/642022567.db2.gz CLHZYUYULNQDRZ-WCQYABFASA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000873132297 642023265 /nfs/dbraw/zinc/02/32/65/642023265.db2.gz NXLMTWJRXVPVOA-OCCSQVGLSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873133107 642023294 /nfs/dbraw/zinc/02/32/94/642023294.db2.gz CSVXBWSGKQLORZ-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](O)C(C)C ZINC000873132087 642023328 /nfs/dbraw/zinc/02/33/28/642023328.db2.gz GOBUQTWAANSVOQ-UKRRQHHQSA-N 1 0 280.368 2.788 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000873132030 642023658 /nfs/dbraw/zinc/02/36/58/642023658.db2.gz DLRHNRPJUCUSOE-KBPBESRZSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1ccncc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873136144 642025171 /nfs/dbraw/zinc/02/51/71/642025171.db2.gz VNIZQMUPTAXXMH-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO CCn1nccc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873139883 642028402 /nfs/dbraw/zinc/02/84/02/642028402.db2.gz GTMKCEOCBGOUHD-UHFFFAOYSA-N 1 0 288.351 2.718 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c(F)c1 ZINC000873155884 642037943 /nfs/dbraw/zinc/03/79/43/642037943.db2.gz HWULTLWCDVVFCJ-RIEGTJTDSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CSCCS2)c1 ZINC000125231545 642563917 /nfs/dbraw/zinc/56/39/17/642563917.db2.gz YPFRYMSXJMVQPT-LBPRGKRZSA-N 1 0 284.406 2.533 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876609938 642943490 /nfs/dbraw/zinc/94/34/90/642943490.db2.gz UHKPIORKAOQORL-CYBMUJFWSA-N 1 0 278.352 2.822 20 5 CFBDRO CCC[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876739077 642988210 /nfs/dbraw/zinc/98/82/10/642988210.db2.gz DOIDKDXZPNIGKY-CYBMUJFWSA-N 1 0 278.352 2.768 20 5 CFBDRO CO[C@@](C)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000876740881 642989028 /nfs/dbraw/zinc/98/90/28/642989028.db2.gz QAYUPOYHBYZLMW-INIZCTEOSA-N 1 0 290.363 2.768 20 5 CFBDRO CC(C)(C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876917875 643063958 /nfs/dbraw/zinc/06/39/58/643063958.db2.gz GSCHNKFQRVHDIW-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO C[C@@H]1CC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H](C)C1 ZINC000877049775 643120946 /nfs/dbraw/zinc/12/09/46/643120946.db2.gz WWRDRFDZPJMOFB-BCVKRFQSSA-N 1 0 292.383 2.909 20 5 CFBDRO CSC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877065636 643131389 /nfs/dbraw/zinc/13/13/89/643131389.db2.gz TVQTZTJSJBGTSN-UHFFFAOYSA-N 1 0 295.364 2.967 20 5 CFBDRO CCCC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877095153 643151021 /nfs/dbraw/zinc/15/10/21/643151021.db2.gz XHVZKYFXKWKFFT-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000877123938 643162921 /nfs/dbraw/zinc/16/29/21/643162921.db2.gz GGYSNUPFIIVFEC-NSHDSACASA-N 1 0 259.309 2.816 20 5 CFBDRO C[C@H](CC(C)(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877577188 643374396 /nfs/dbraw/zinc/37/43/96/643374396.db2.gz BQXLPGDFMOKHAI-VOMCLLRMSA-N 1 0 280.372 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000877646456 643429629 /nfs/dbraw/zinc/42/96/29/643429629.db2.gz IKRYXANRDRJMQS-RISCZKNCSA-N 1 0 292.379 2.662 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827674 643593467 /nfs/dbraw/zinc/59/34/67/643593467.db2.gz IVCMMSCHQTWBEJ-FOGDFJRCSA-N 1 0 266.366 2.997 20 5 CFBDRO CC(C)[C@@H](O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878325138 643841241 /nfs/dbraw/zinc/84/12/41/643841241.db2.gz FAXZBRLEISZMDE-INIZCTEOSA-N 1 0 292.379 2.966 20 5 CFBDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320823 644226115 /nfs/dbraw/zinc/22/61/15/644226115.db2.gz MCSNIXPUCGQUNK-RISCZKNCSA-N 1 0 278.352 2.903 20 5 CFBDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320819 644226303 /nfs/dbraw/zinc/22/63/03/644226303.db2.gz MCSNIXPUCGQUNK-BXUZGUMPSA-N 1 0 278.352 2.903 20 5 CFBDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000879320821 644226359 /nfs/dbraw/zinc/22/63/59/644226359.db2.gz MCSNIXPUCGQUNK-FZMZJTMJSA-N 1 0 278.352 2.903 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879559925 644320997 /nfs/dbraw/zinc/32/09/97/644320997.db2.gz TZOUCSMFXQRVSZ-GHMZBOCLSA-N 1 0 296.367 2.919 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC000879565930 644327606 /nfs/dbraw/zinc/32/76/06/644327606.db2.gz RLKBERVUSFBGRU-RYUDHWBXSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879619656 644350065 /nfs/dbraw/zinc/35/00/65/644350065.db2.gz YYDCCYIHSUMWDW-NEPJUHHUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H]1CC[NH2+][C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000127934367 644378563 /nfs/dbraw/zinc/37/85/63/644378563.db2.gz IBSFIRQHGHICPZ-CABZTGNLSA-N 1 0 288.307 2.705 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879960751 644476988 /nfs/dbraw/zinc/47/69/88/644476988.db2.gz MHZYBLNNFWONTA-LBPRGKRZSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000880141244 644550622 /nfs/dbraw/zinc/55/06/22/644550622.db2.gz OJINHVAUIQXVIX-LSDHHAIUSA-N 1 0 289.379 2.572 20 5 CFBDRO COCC1(N(C)Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000880186584 644569290 /nfs/dbraw/zinc/56/92/90/644569290.db2.gz HGFWYSRDFFQHTH-UHFFFAOYSA-N 1 0 282.315 2.735 20 5 CFBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000128432615 644705753 /nfs/dbraw/zinc/70/57/53/644705753.db2.gz QVQHEFPSNALAPI-ZDUSSCGKSA-N 1 0 283.347 2.539 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880538921 644757215 /nfs/dbraw/zinc/75/72/15/644757215.db2.gz PGMLFPGVNFNVEH-LRDDRELGSA-N 1 0 298.346 2.726 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000094801391 650963723 /nfs/dbraw/zinc/96/37/23/650963723.db2.gz PZZIJOWFYCGEOA-ZDUSSCGKSA-N 1 0 284.743 2.907 20 5 CFBDRO CC(=O)c1c(NC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000881961562 645163594 /nfs/dbraw/zinc/16/35/94/645163594.db2.gz ZJSZGWGSAFBKNB-LBPRGKRZSA-N 1 0 291.351 2.551 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882387073 645296373 /nfs/dbraw/zinc/29/63/73/645296373.db2.gz UFNISXSFXCUWQX-SNVBAGLBSA-N 1 0 284.335 2.661 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882622050 645392206 /nfs/dbraw/zinc/39/22/06/645392206.db2.gz KPNNYIAZGBVBBO-LLVKDONJSA-N 1 0 296.346 2.661 20 5 CFBDRO Cc1cc(N2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000882963999 645532536 /nfs/dbraw/zinc/53/25/36/645532536.db2.gz PTQHZSWYECUVEF-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756004 645563516 /nfs/dbraw/zinc/56/35/16/645563516.db2.gz GDOLQHAEEVTEBM-NEPJUHHUSA-N 1 0 266.345 2.649 20 5 CFBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883090160 645601385 /nfs/dbraw/zinc/60/13/85/645601385.db2.gz DFBJSENERCXXRN-DLGQBQFBSA-N 1 0 284.743 2.665 20 5 CFBDRO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000883208100 645664514 /nfs/dbraw/zinc/66/45/14/645664514.db2.gz ZGYOGZSOEABPCV-DGCLKSJQSA-N 1 0 280.372 2.596 20 5 CFBDRO CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131671125 645779684 /nfs/dbraw/zinc/77/96/84/645779684.db2.gz ZJSKWGOYSGHWNT-UHFFFAOYSA-N 1 0 263.341 2.563 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000132933337 645988473 /nfs/dbraw/zinc/98/84/73/645988473.db2.gz IJPBSSYRAWDDLP-QMTHXVAHSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000800081982 646128528 /nfs/dbraw/zinc/12/85/28/646128528.db2.gz DWQVYBBJSVNURV-UHFFFAOYSA-N 1 0 286.353 2.545 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000800165767 646164957 /nfs/dbraw/zinc/16/49/57/646164957.db2.gz JUTHLKHWSLYCMJ-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO CCSCC[C@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886073371 646855951 /nfs/dbraw/zinc/85/59/51/646855951.db2.gz UEKZTLZQDLDVSX-NSHDSACASA-N 1 0 283.397 2.953 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886114322 646877727 /nfs/dbraw/zinc/87/77/27/646877727.db2.gz MQCZPMIVZITJOW-YWPYICTPSA-N 1 0 276.336 2.672 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000886263944 646938610 /nfs/dbraw/zinc/93/86/10/646938610.db2.gz KXWJJTOAGHTCAF-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000886543136 647039706 /nfs/dbraw/zinc/03/97/06/647039706.db2.gz LDOQEKRKIXPUPY-HNNXBMFYSA-N 1 0 288.351 2.815 20 5 CFBDRO Cc1c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000925659464 648267347 /nfs/dbraw/zinc/26/73/47/648267347.db2.gz VAUHCRJETYFPKX-KBPBESRZSA-N 1 0 291.395 2.899 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000926797575 648620670 /nfs/dbraw/zinc/62/06/70/648620670.db2.gz UOKUXCKNWFYWHV-LLVKDONJSA-N 1 0 272.308 2.544 20 5 CFBDRO Cc1cccc([C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C)c1 ZINC000930228844 649210664 /nfs/dbraw/zinc/21/06/64/649210664.db2.gz LDGJGLTURDDTID-ZDUSSCGKSA-N 1 0 250.342 2.949 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000930233436 649211314 /nfs/dbraw/zinc/21/13/14/649211314.db2.gz QKDLROWVYNDRRK-CQSZACIVSA-N 1 0 266.316 2.923 20 5 CFBDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)CC[N+](=O)[O-] ZINC000930762485 649322643 /nfs/dbraw/zinc/32/26/43/649322643.db2.gz FLGVLAWUGUBVKZ-UHFFFAOYSA-N 1 0 290.285 2.847 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2[nH+]ccc(N)c2C1 ZINC000931512811 649444378 /nfs/dbraw/zinc/44/43/78/649444378.db2.gz NNZPDQPPNIQKIC-LLVKDONJSA-N 1 0 298.346 2.691 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931512899 649444805 /nfs/dbraw/zinc/44/48/05/649444805.db2.gz UBPLFZJYLNYDOQ-LLVKDONJSA-N 1 0 298.346 2.691 20 5 CFBDRO C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000932347099 649580796 /nfs/dbraw/zinc/58/07/96/649580796.db2.gz VEXQGGOJUAZYAI-JTQLQIEISA-N 1 0 284.743 2.859 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C)CC1 ZINC000932348536 649581829 /nfs/dbraw/zinc/58/18/29/649581829.db2.gz GNDHEGYWVXCRIR-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO CCO[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932979754 649666463 /nfs/dbraw/zinc/66/64/63/649666463.db2.gz QQLVIBWBDQLGCP-RISCZKNCSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H]1CSCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000934301379 649770323 /nfs/dbraw/zinc/77/03/23/649770323.db2.gz FVMPSCZFEGYUDK-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000934671344 649814114 /nfs/dbraw/zinc/81/41/14/649814114.db2.gz WUQSMRPIAQWOAC-UHFFFAOYSA-N 1 0 299.352 2.734 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccnc(N)c1 ZINC001167617381 770993067 /nfs/dbraw/zinc/99/30/67/770993067.db2.gz LKZIPUHHXSJEAV-UHFFFAOYSA-N 1 0 285.415 2.872 20 5 CFBDRO COc1cccc2c1[C@H](OCCC[N+](C)(C)C)CCO2 ZINC001224621959 775229924 /nfs/dbraw/zinc/22/99/24/775229924.db2.gz DGTRRTIYVSCUGG-OAHLLOKOSA-N 1 0 280.388 2.632 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1CC=C[C@@H]1COCc1ccccc1 ZINC001224771665 775269391 /nfs/dbraw/zinc/26/93/91/775269391.db2.gz QKPHIZRJBJNNFY-MSOLQXFVSA-N 1 0 290.427 2.871 20 5 CFBDRO C[C@H](OCC[N+](C)(C)C)c1ccc(Br)nc1 ZINC001224775539 775271849 /nfs/dbraw/zinc/27/18/49/775271849.db2.gz MIVTUABGXBZWKJ-JTQLQIEISA-N 1 0 288.209 2.628 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)C2CCCC2)cs1 ZINC000725123583 775287501 /nfs/dbraw/zinc/28/75/01/775287501.db2.gz ASFAWKBJXAZASN-LBPRGKRZSA-N 1 0 284.381 2.687 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCCSc1ccccc1 ZINC001224912149 775306266 /nfs/dbraw/zinc/30/62/66/775306266.db2.gz SQSNTEJFLWFWDI-ZDUSSCGKSA-N 1 0 254.419 2.890 20 5 CFBDRO Cc1ccccc1OCCCO[C@H](C)C[N+](C)(C)C ZINC001225013933 775334646 /nfs/dbraw/zinc/33/46/46/775334646.db2.gz GZYIVNOIJIBWDQ-OAHLLOKOSA-N 1 0 266.405 2.875 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217975569 775414344 /nfs/dbraw/zinc/41/43/44/775414344.db2.gz IVHHBAQGMLAYAU-PWSUYJOCSA-N 1 0 288.706 2.717 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(Cl)nccc1[N+](=O)[O-] ZINC001225430488 775454290 /nfs/dbraw/zinc/45/42/90/775454290.db2.gz CJCKVQRURUYTGC-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)nc1 ZINC001225505316 775484855 /nfs/dbraw/zinc/48/48/55/775484855.db2.gz QEXUIWVSUHFDEC-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)nc(Cl)c1 ZINC001225603947 775520677 /nfs/dbraw/zinc/52/06/77/775520677.db2.gz HFUPXDBFNBEUBT-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001225615173 775523909 /nfs/dbraw/zinc/52/39/09/775523909.db2.gz HHKRTSGTGJDZSC-AULYBMBSSA-N 1 0 294.351 2.855 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225665316 775548699 /nfs/dbraw/zinc/54/86/99/775548699.db2.gz XQENTYZXHURXOJ-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667848 775548822 /nfs/dbraw/zinc/54/88/22/775548822.db2.gz VFAMSRBVKKVDRD-NSHDSACASA-N 1 0 282.315 2.986 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001225683701 775557563 /nfs/dbraw/zinc/55/75/63/775557563.db2.gz VPCIDUZZPBWSDT-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)c(F)cc1[N+](=O)[O-])C2 ZINC001225776693 775589413 /nfs/dbraw/zinc/58/94/13/775589413.db2.gz LASSHGLTJGRYCY-ILWJIGKKSA-N 1 0 298.289 2.877 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225785400 775592363 /nfs/dbraw/zinc/59/23/63/775592363.db2.gz BASVYQNNUYTRHU-MRVPVSSYSA-N 1 0 258.705 2.577 20 5 CFBDRO C[C@H]1CC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC001218396527 775627076 /nfs/dbraw/zinc/62/70/76/775627076.db2.gz CSGXOJZSGIAGIM-GZMMTYOYSA-N 1 0 270.716 2.768 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1OC1CC[NH+](C2CC2)CC1 ZINC001225904997 775629326 /nfs/dbraw/zinc/62/93/26/775629326.db2.gz NDJCIVIZVUDZFA-UHFFFAOYSA-N 1 0 280.299 2.740 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225916116 775633488 /nfs/dbraw/zinc/63/34/88/775633488.db2.gz NKEWXMONWMOZMS-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225914953 775633501 /nfs/dbraw/zinc/63/35/01/775633501.db2.gz DAUFNRQUQBXIBY-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1cc(C)c(O[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218400862 775635161 /nfs/dbraw/zinc/63/51/61/775635161.db2.gz XAWQUXOLPGOSEL-RYUDHWBXSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1F ZINC001225945428 775643264 /nfs/dbraw/zinc/64/32/64/775643264.db2.gz GFMYANAOKZAKJQ-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001226130744 775709905 /nfs/dbraw/zinc/70/99/05/775709905.db2.gz UDNXFBXDCFDPOS-JGPRNRPPSA-N 1 0 297.742 2.647 20 5 CFBDRO Cc1ccc2oc(=O)cc(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001226159090 775719905 /nfs/dbraw/zinc/71/99/05/775719905.db2.gz ZQCYPHLKQPTPMD-LBPRGKRZSA-N 1 0 276.356 2.575 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226255942 775757125 /nfs/dbraw/zinc/75/71/25/775757125.db2.gz QLHMJQQOMZLHLD-HOMQSWHASA-N 1 0 299.758 2.895 20 5 CFBDRO O=[N+]([O-])c1ccc(F)c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001226266568 775762519 /nfs/dbraw/zinc/76/25/19/775762519.db2.gz WAFSJWZSBZORJN-UHFFFAOYSA-N 1 0 280.299 2.740 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226744865 775944961 /nfs/dbraw/zinc/94/49/61/775944961.db2.gz VGYOLQNIEHLPLO-SNVBAGLBSA-N 1 0 286.278 2.736 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOC1CCC1 ZINC000709175286 775952362 /nfs/dbraw/zinc/95/23/62/775952362.db2.gz JUHUZZFYIOXESK-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001226841852 775987647 /nfs/dbraw/zinc/98/76/47/775987647.db2.gz PRFWTJFDKDUWNJ-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226918561 776017740 /nfs/dbraw/zinc/01/77/40/776017740.db2.gz ZRQQRMGDTMEJRN-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1ccc(O[C@H]2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC001226950397 776030937 /nfs/dbraw/zinc/03/09/37/776030937.db2.gz IZUPIYXVKMTUAR-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001167754375 776087438 /nfs/dbraw/zinc/08/74/38/776087438.db2.gz XCTNVQOUYDCKMU-NSHDSACASA-N 1 0 296.346 2.805 20 5 CFBDRO COc1ccc(Cl)cc1O[C@H](C)C[N+](C)(C)C ZINC001227140748 776113009 /nfs/dbraw/zinc/11/30/09/776113009.db2.gz ASPZLHXRZDDXRD-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523568 776218802 /nfs/dbraw/zinc/21/88/02/776218802.db2.gz MORSNOPHYSIWGF-CQSZACIVSA-N 1 0 264.325 2.846 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1 ZINC001227523997 776220430 /nfs/dbraw/zinc/22/04/30/776220430.db2.gz VNFCRJAKAPYUAT-JYAVWHMHSA-N 1 0 276.336 2.704 20 5 CFBDRO CC[C@H](C)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227762130 776285168 /nfs/dbraw/zinc/28/51/68/776285168.db2.gz YZNGNVIRJUAKQH-UONOGXRCSA-N 1 0 294.415 2.563 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056646 776379793 /nfs/dbraw/zinc/37/97/93/776379793.db2.gz FNKXJOXQQYRKHH-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO CCC(=O)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228113739 776400153 /nfs/dbraw/zinc/40/01/53/776400153.db2.gz GBJJFTVJIZJBNN-LBPRGKRZSA-N 1 0 250.362 2.753 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cs1 ZINC000722319650 776448642 /nfs/dbraw/zinc/44/86/42/776448642.db2.gz JRDRKIGVJVJYIC-VXGBXAGGSA-N 1 0 282.365 2.704 20 5 CFBDRO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000136795335 776518274 /nfs/dbraw/zinc/51/82/74/776518274.db2.gz JQHHXHWNIQQRJN-GFCCVEGCSA-N 1 0 279.340 2.605 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)n(-c2ccccc2)n1 ZINC001228716619 776583106 /nfs/dbraw/zinc/58/31/06/776583106.db2.gz JDLHQFOUGVQIBQ-AWEZNQCLSA-N 1 0 274.388 2.654 20 5 CFBDRO Cc1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228739972 776590529 /nfs/dbraw/zinc/59/05/29/776590529.db2.gz MEYONNCCGGIJSE-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cccc(F)c2n1 ZINC001228745911 776594901 /nfs/dbraw/zinc/59/49/01/776594901.db2.gz MPQAIMUSNUXBLJ-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC001228834061 776625827 /nfs/dbraw/zinc/62/58/27/776625827.db2.gz ZNCPZCDLDHHZAC-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228933138 776662008 /nfs/dbraw/zinc/66/20/08/776662008.db2.gz BJTYFHOZJZLEKH-SECBINFHSA-N 1 0 285.731 2.505 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223427757 776665596 /nfs/dbraw/zinc/66/55/96/776665596.db2.gz UOWFXXQPVXZVFH-RYUDHWBXSA-N 1 0 267.349 2.767 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)cc(Cl)n1 ZINC001229043104 776697330 /nfs/dbraw/zinc/69/73/30/776697330.db2.gz ADFGMEXGXDOKJN-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229118768 776726043 /nfs/dbraw/zinc/72/60/43/776726043.db2.gz HSQTYCIIRAQQFS-BCNIOPEESA-N 1 0 276.336 2.797 20 5 CFBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229343749 776784895 /nfs/dbraw/zinc/78/48/95/776784895.db2.gz ZRVQVTCOSAADGW-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229342544 776785485 /nfs/dbraw/zinc/78/54/85/776785485.db2.gz BNBLDYCEWZIBAX-ZDUSSCGKSA-N 1 0 287.319 2.616 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229376528 776794175 /nfs/dbraw/zinc/79/41/75/776794175.db2.gz JKWQPYRWMDXVHN-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)nc2ccccc21 ZINC001229440672 776812444 /nfs/dbraw/zinc/81/24/44/776812444.db2.gz BFJCZRPJUVVVOU-LBPRGKRZSA-N 1 0 275.372 2.717 20 5 CFBDRO CCOC(=O)CCc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229519784 776838650 /nfs/dbraw/zinc/83/86/50/776838650.db2.gz ILYRHZVSRCZWDN-AWEZNQCLSA-N 1 0 294.415 2.656 20 5 CFBDRO COc1cccc2c1ccnc2O[C@@H](C)C[N+](C)(C)C ZINC001229554250 776845804 /nfs/dbraw/zinc/84/58/04/776845804.db2.gz DIDMFNQBVFNBSR-LBPRGKRZSA-N 1 0 275.372 2.717 20 5 CFBDRO C[C@@H](c1cccc(O[C@@H](C[N+](=O)[O-])C2CC2)c1)[NH+](C)C ZINC001229627317 776859438 /nfs/dbraw/zinc/85/94/38/776859438.db2.gz OYNVQAOGEVIFDS-NHYWBVRUSA-N 1 0 278.352 2.743 20 5 CFBDRO Cc1cc(O)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001229749695 776886410 /nfs/dbraw/zinc/88/64/10/776886410.db2.gz GWXWGZWVUBMVKF-ZSBIGDGJSA-N 1 0 292.335 2.613 20 5 CFBDRO Cc1cc(O)c(OC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001229750170 776888004 /nfs/dbraw/zinc/88/80/04/776888004.db2.gz KYQZQKZKPWPTBD-UHFFFAOYSA-N 1 0 294.351 2.860 20 5 CFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)c(Cl)n1 ZINC001229914988 776917177 /nfs/dbraw/zinc/91/71/77/776917177.db2.gz HRNZDTYSVCTOCZ-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229920547 776917990 /nfs/dbraw/zinc/91/79/90/776917990.db2.gz UYZFPFAGVDKMCX-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO CCc1c(O[C@@H](C)C[N+](C)(C)C)cccc1C(=O)OC ZINC001230367854 776985863 /nfs/dbraw/zinc/98/58/63/776985863.db2.gz MQKNCZKWVXFHMJ-LBPRGKRZSA-N 1 0 280.388 2.509 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622058 777028190 /nfs/dbraw/zinc/02/81/90/777028190.db2.gz GGKACJHLZKYBEQ-LBPRGKRZSA-N 1 0 272.304 2.831 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000710354977 777069750 /nfs/dbraw/zinc/06/97/50/777069750.db2.gz BDJUWZDJDWJNAO-SECBINFHSA-N 1 0 284.747 2.539 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+]CC[C@H]1C ZINC000710785069 777113469 /nfs/dbraw/zinc/11/34/69/777113469.db2.gz MXODXOYKPVCNIJ-OTYXRUKQSA-N 1 0 264.325 2.588 20 5 CFBDRO COC(=O)C[C@@H](C)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001231013429 777116413 /nfs/dbraw/zinc/11/64/13/777116413.db2.gz VMKBKKAZLWHGIO-KGLIPLIRSA-N 1 0 294.415 2.827 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001225667122 777157002 /nfs/dbraw/zinc/15/70/02/777157002.db2.gz OQTJWFHBZRZVJM-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cc(F)cnc21 ZINC001231150312 777157806 /nfs/dbraw/zinc/15/78/06/777157806.db2.gz ADIZPZWNTJGPBY-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1-c1ccno1 ZINC001233814706 778086984 /nfs/dbraw/zinc/08/69/84/778086984.db2.gz PFLQBXGQUJBJAV-LLVKDONJSA-N 1 0 279.335 2.954 20 5 CFBDRO Cc1cc(F)c(O[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001234061674 778156429 /nfs/dbraw/zinc/15/64/29/778156429.db2.gz WVYHLQYPWHPLIE-CQSZACIVSA-N 1 0 280.299 2.515 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cnc1OC(C)C ZINC001234278111 778199641 /nfs/dbraw/zinc/19/96/41/778199641.db2.gz QUSJQWZOHTYDFM-CYBMUJFWSA-N 1 0 267.393 2.651 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OCCOC2CC2)cc1 ZINC001234538408 778247690 /nfs/dbraw/zinc/24/76/90/778247690.db2.gz KLEFIXURPXEOPY-AWEZNQCLSA-N 1 0 294.415 2.718 20 5 CFBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]CC[C@H]2F)cc2ccccc21 ZINC001168232779 778262484 /nfs/dbraw/zinc/26/24/84/778262484.db2.gz CKVYKNQLHWOULQ-KGLIPLIRSA-N 1 0 289.310 2.860 20 5 CFBDRO COc1cc(F)cc2ccnc(O[C@H](C)C[N+](C)(C)C)c21 ZINC001234689138 778289311 /nfs/dbraw/zinc/28/93/11/778289311.db2.gz NRYBVHRKVMMXMF-LLVKDONJSA-N 1 0 293.362 2.856 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234870264 778317233 /nfs/dbraw/zinc/31/72/33/778317233.db2.gz HFFKPLFDYHTNMX-ZDUSSCGKSA-N 1 0 278.352 2.993 20 5 CFBDRO CCC1(Nc2ccccc2C[N+](C)(C)CC)COC1 ZINC001168321175 778430117 /nfs/dbraw/zinc/43/01/17/778430117.db2.gz AKNPRIAKJKYBTL-UHFFFAOYSA-N 1 0 263.405 2.874 20 5 CFBDRO C[C@H](COc1ccccc1)OCCCOCC[N+](C)(C)C ZINC001224775110 778681467 /nfs/dbraw/zinc/68/14/67/778681467.db2.gz IVVJJGRWLAXVBO-MRXNPFEDSA-N 1 0 296.431 2.583 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001233703417 779074313 /nfs/dbraw/zinc/07/43/13/779074313.db2.gz WPMDZQXWPDDBSG-SNVBAGLBSA-N 1 0 297.311 2.612 20 5 CFBDRO CC(C)Oc1ncc(Cl)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234311180 779207653 /nfs/dbraw/zinc/20/76/53/779207653.db2.gz IHZAFYKVNCHFEY-NSHDSACASA-N 1 0 287.811 2.996 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699466008 779273960 /nfs/dbraw/zinc/27/39/60/779273960.db2.gz OZAYZOWHIIMIND-GMXVVIOVSA-N 1 0 264.325 2.589 20 5 CFBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000721911798 779942831 /nfs/dbraw/zinc/94/28/31/779942831.db2.gz JSSLCQPVJRVMKM-ZDUSSCGKSA-N 1 0 266.341 2.603 20 5 CFBDRO CCC1(Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[NH2+]C1 ZINC001168583784 780005794 /nfs/dbraw/zinc/00/57/94/780005794.db2.gz ULFCSQOHZMEYGR-UHFFFAOYSA-N 1 0 289.257 2.778 20 5 CFBDRO COC1CC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000703121191 780992428 /nfs/dbraw/zinc/99/24/28/780992428.db2.gz RISADKUIIXIULO-IFQILLTASA-N 1 0 264.325 2.670 20 5 CFBDRO COC1CC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000703163713 780994562 /nfs/dbraw/zinc/99/45/62/780994562.db2.gz NOBMMQBJMZFBFF-DCBWTQNWSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000703578392 781034952 /nfs/dbraw/zinc/03/49/52/781034952.db2.gz KRUIPWILOGNIHC-ZOODHJKOSA-N 1 0 278.352 2.939 20 5 CFBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000704521405 781102829 /nfs/dbraw/zinc/10/28/29/781102829.db2.gz BOGSSOJQHHGXTQ-AWEZNQCLSA-N 1 0 297.786 2.678 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000708695975 781278805 /nfs/dbraw/zinc/27/88/05/781278805.db2.gz YKEHMMZTQBQDFV-WVSHTKLVSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710984590 781350818 /nfs/dbraw/zinc/35/08/18/781350818.db2.gz VEDGBHIACBUGOS-MISXGVKJSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710984593 781351121 /nfs/dbraw/zinc/35/11/21/781351121.db2.gz VEDGBHIACBUGOS-WDMOLILDSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000710985822 781351842 /nfs/dbraw/zinc/35/18/42/781351842.db2.gz AZJNOOLSQAHSSW-LOWVWBTDSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000711001180 781353403 /nfs/dbraw/zinc/35/34/03/781353403.db2.gz QMPKMJDLQRKBTH-LEWSCRJBSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CF)C2)cc1F ZINC000711477911 781440930 /nfs/dbraw/zinc/44/09/30/781440930.db2.gz SQYSKWRHLRWRKJ-JTQLQIEISA-N 1 0 256.252 2.525 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC001231061957 781899803 /nfs/dbraw/zinc/89/98/03/781899803.db2.gz WNBOPYCEEYWLAR-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO C[C@H](COCC1CC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506984 349433763 /nfs/dbraw/zinc/43/37/63/349433763.db2.gz JGRZFSVSBSOPFQ-ABAIWWIYSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000594732734 349482899 /nfs/dbraw/zinc/48/28/99/349482899.db2.gz XJEGYCWCEMBQRK-NEPJUHHUSA-N 1 0 276.336 2.957 20 5 CFBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000594951059 349526550 /nfs/dbraw/zinc/52/65/50/349526550.db2.gz MXHDGJXYAXYWSN-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000594953887 349527302 /nfs/dbraw/zinc/52/73/02/349527302.db2.gz KJCWYSJFYOQQCI-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000594961763 349531488 /nfs/dbraw/zinc/53/14/88/349531488.db2.gz HMZVKMXLQJDMRC-ZDUSSCGKSA-N 1 0 295.358 2.696 20 5 CFBDRO CC[C@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000125052726 187167093 /nfs/dbraw/zinc/16/70/93/187167093.db2.gz OOOZVZAAPAPNHI-NSHDSACASA-N 1 0 275.308 2.634 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000594984873 349538820 /nfs/dbraw/zinc/53/88/20/349538820.db2.gz QGOCFBXAJKTZNE-GSSBXCLOSA-N 1 0 258.321 2.996 20 5 CFBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000594985713 349539208 /nfs/dbraw/zinc/53/92/08/349539208.db2.gz NPVSFIXGYFNZCN-AAEUAGOBSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594985372 349539224 /nfs/dbraw/zinc/53/92/24/349539224.db2.gz LUZYUEYOSKHRFL-OCCSQVGLSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(F)F ZINC000594986137 349540298 /nfs/dbraw/zinc/54/02/98/349540298.db2.gz SHNQCJJBTGDPCU-SECBINFHSA-N 1 0 262.281 2.791 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000595034514 349558239 /nfs/dbraw/zinc/55/82/39/349558239.db2.gz WMRZKIJLNSMRFF-NWDGAFQWSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000595010838 349548322 /nfs/dbraw/zinc/54/83/22/349548322.db2.gz ZERAKPDZWUYZRF-VWYCJHECSA-N 1 0 264.325 2.910 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000125201972 187174446 /nfs/dbraw/zinc/17/44/46/187174446.db2.gz RNLFULFXCWFHST-LBPRGKRZSA-N 1 0 298.433 2.841 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](OC)C(C)C ZINC000595014198 349550112 /nfs/dbraw/zinc/55/01/12/349550112.db2.gz UQFVAGRAAMUTBJ-IAQYHMDHSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCCSCC2)cc1[N+](=O)[O-] ZINC000595015464 349550141 /nfs/dbraw/zinc/55/01/41/349550141.db2.gz NQJNQCXBFXOUHK-GFCCVEGCSA-N 1 0 296.392 2.979 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595023587 349553887 /nfs/dbraw/zinc/55/38/87/349553887.db2.gz WPUUALTYNJUUIY-IINYFYTJSA-N 1 0 294.351 2.679 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595024986 349554817 /nfs/dbraw/zinc/55/48/17/349554817.db2.gz IXHPSKCLRWSDGE-FZMZJTMJSA-N 1 0 296.367 2.925 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032115 349557576 /nfs/dbraw/zinc/55/75/76/349557576.db2.gz HMSWARTTZBDNGJ-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000594995146 349541984 /nfs/dbraw/zinc/54/19/84/349541984.db2.gz OWVYKNXEOYCWLD-HNNXBMFYSA-N 1 0 278.352 2.890 20 5 CFBDRO COc1cc(C[NH2+]C2CC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000594999510 349542788 /nfs/dbraw/zinc/54/27/88/349542788.db2.gz UHCAGZRYYDNJEF-UHFFFAOYSA-N 1 0 280.324 2.587 20 5 CFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000594996947 349542866 /nfs/dbraw/zinc/54/28/66/349542866.db2.gz VZPCESMOKRCYFZ-PZBABLGHSA-N 1 0 286.335 2.692 20 5 CFBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594997116 349543061 /nfs/dbraw/zinc/54/30/61/349543061.db2.gz XWQPDVAEKMVSQZ-LLVKDONJSA-N 1 0 282.315 2.639 20 5 CFBDRO COC1CC(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595049764 349563854 /nfs/dbraw/zinc/56/38/54/349563854.db2.gz OLEQOAGRTAYXKJ-KOHJWAIASA-N 1 0 290.363 2.987 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595050088 349564591 /nfs/dbraw/zinc/56/45/91/349564591.db2.gz FXXHVNCCUNUIIA-VXGBXAGGSA-N 1 0 296.367 2.927 20 5 CFBDRO CCC[C@@H]([NH2+]C/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595069847 349573367 /nfs/dbraw/zinc/57/33/67/349573367.db2.gz LMMZITCPTAAUON-VQTKUKTRSA-N 1 0 264.325 2.574 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000595052204 349565866 /nfs/dbraw/zinc/56/58/66/349565866.db2.gz RDKVLEBKJDWXSH-VXGBXAGGSA-N 1 0 296.367 2.519 20 5 CFBDRO COC[C@H](CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000595062252 349571127 /nfs/dbraw/zinc/57/11/27/349571127.db2.gz UQKQFUHGJOEQEM-OCCSQVGLSA-N 1 0 296.367 2.605 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000595039767 349560025 /nfs/dbraw/zinc/56/00/25/349560025.db2.gz CHUVDOFZCVQSPN-IINYFYTJSA-N 1 0 294.351 2.822 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068514 349573250 /nfs/dbraw/zinc/57/32/50/349573250.db2.gz PQWJKYVSGNHVBL-XHDPSFHLSA-N 1 0 290.363 2.723 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](C)OC ZINC000595038850 349560241 /nfs/dbraw/zinc/56/02/41/349560241.db2.gz NTJDBJJVHLDHMV-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088903 349576960 /nfs/dbraw/zinc/57/69/60/349576960.db2.gz LORGOLMXJZNGDO-YPMHNXCESA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1noc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595313021 349600039 /nfs/dbraw/zinc/60/00/39/349600039.db2.gz QYHZWDQYEJBVSI-DTORHVGOSA-N 1 0 253.302 2.654 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595291937 349592201 /nfs/dbraw/zinc/59/22/01/349592201.db2.gz YHQXQIKJHRHVLT-GXSJLCMTSA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595296867 349595125 /nfs/dbraw/zinc/59/51/25/349595125.db2.gz MYNDBVIRZCRXCE-ZDUSSCGKSA-N 1 0 287.319 2.881 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595341274 349605616 /nfs/dbraw/zinc/60/56/16/349605616.db2.gz GHQQBMIZMPHBMI-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO C[C@H]1C[C@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000273096051 192041225 /nfs/dbraw/zinc/04/12/25/192041225.db2.gz URAHGVQZSXKDIY-QWHCGFSZSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595396637 349615892 /nfs/dbraw/zinc/61/58/92/349615892.db2.gz NQXJFIQSKBFVDP-NXEZZACHSA-N 1 0 267.329 2.759 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409588 349618341 /nfs/dbraw/zinc/61/83/41/349618341.db2.gz XSQMYDFRJVCFHX-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1noc(C[NH2+][C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595409908 349618125 /nfs/dbraw/zinc/61/81/25/349618125.db2.gz HBJYBQZVKIVCPC-VIFPVBQESA-N 1 0 267.329 2.950 20 5 CFBDRO C[N@H+](CCc1ccncc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409370 349618190 /nfs/dbraw/zinc/61/81/90/349618190.db2.gz WQRJTRAHBVYYOQ-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442139 349627802 /nfs/dbraw/zinc/62/78/02/349627802.db2.gz REUTUEYTFWSZRT-SCZZXKLOSA-N 1 0 253.302 2.512 20 5 CFBDRO C[C@@H]([NH2+]C1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294974288 199278571 /nfs/dbraw/zinc/27/85/71/199278571.db2.gz ZQWOJWQJXDJCFQ-SECBINFHSA-N 1 0 281.381 2.723 20 5 CFBDRO CC[C@]1(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595457158 349632537 /nfs/dbraw/zinc/63/25/37/349632537.db2.gz ANCGPPPAUUUDTJ-CQSZACIVSA-N 1 0 282.315 2.735 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000595475609 349637883 /nfs/dbraw/zinc/63/78/83/349637883.db2.gz MBZZMAMWTHEVCV-AWEZNQCLSA-N 1 0 296.342 2.861 20 5 CFBDRO CO[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000595476739 349638381 /nfs/dbraw/zinc/63/83/81/349638381.db2.gz OHTWCQJKZRBGHE-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO CCC(CC)[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595489192 349640794 /nfs/dbraw/zinc/64/07/94/349640794.db2.gz KOXLTKIUEJUCMV-UHFFFAOYSA-N 1 0 255.318 2.902 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521095 349649931 /nfs/dbraw/zinc/64/99/31/349649931.db2.gz QSTUOVSSDSTUMC-CQSZACIVSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595505852 349645747 /nfs/dbraw/zinc/64/57/47/349645747.db2.gz VTVZTPRZVOMKGR-AWEZNQCLSA-N 1 0 296.342 2.621 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536857 349653920 /nfs/dbraw/zinc/65/39/20/349653920.db2.gz VWROHTJSIZRTIA-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000595550006 349657447 /nfs/dbraw/zinc/65/74/47/349657447.db2.gz GSJJQNHSLGZBHH-GFCCVEGCSA-N 1 0 279.340 2.903 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595670802 349696248 /nfs/dbraw/zinc/69/62/48/349696248.db2.gz DLYXTDSQTFBIFR-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595750221 349723136 /nfs/dbraw/zinc/72/31/36/349723136.db2.gz JXIOZISBOAPSBO-INIZCTEOSA-N 1 0 290.363 2.640 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595706943 349712239 /nfs/dbraw/zinc/71/22/39/349712239.db2.gz ZECMEZGIRNBDLV-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO CC(C)CC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000595833039 349746908 /nfs/dbraw/zinc/74/69/08/349746908.db2.gz ZNWGZBFVFNDEHZ-UHFFFAOYSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595830787 349744427 /nfs/dbraw/zinc/74/44/27/349744427.db2.gz LVMOYXGGCMCEKV-MELADBBJSA-N 1 0 290.363 2.933 20 5 CFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000595764358 349726261 /nfs/dbraw/zinc/72/62/61/349726261.db2.gz APZPCVLEAGBQFJ-ZDUSSCGKSA-N 1 0 291.351 2.620 20 5 CFBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414520982 529582976 /nfs/dbraw/zinc/58/29/76/529582976.db2.gz DOTOWIXJHBERRR-ASGCWMPDSA-N 1 0 292.379 2.993 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595777895 349731170 /nfs/dbraw/zinc/73/11/70/349731170.db2.gz LQPUAQPBBDRXGK-QWHCGFSZSA-N 1 0 296.754 2.641 20 5 CFBDRO COc1cc(C[N@H+](C)CC2=CCSC2)ccc1[N+](=O)[O-] ZINC000595887166 349761785 /nfs/dbraw/zinc/76/17/85/349761785.db2.gz BGHUEHALVCMWHJ-UHFFFAOYSA-N 1 0 294.376 2.708 20 5 CFBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1ccccc1[N+](=O)[O-] ZINC000595903252 349765148 /nfs/dbraw/zinc/76/51/48/349765148.db2.gz OZJUACNAAOICIT-OAHLLOKOSA-N 1 0 297.358 2.875 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(O)CCC(C)CC1 ZINC000596058299 349783352 /nfs/dbraw/zinc/78/33/52/349783352.db2.gz ILOGVMHSKKFZIA-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596079634 349788993 /nfs/dbraw/zinc/78/89/93/349788993.db2.gz UYIWSAYLTXLPHR-SNVBAGLBSA-N 1 0 281.381 2.861 20 5 CFBDRO CCn1nccc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000596062357 349784333 /nfs/dbraw/zinc/78/43/33/349784333.db2.gz PNEDEXYLHURDEO-FNORWQNLSA-N 1 0 286.335 2.614 20 5 CFBDRO CC(C)[C@H]([NH3+])CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000596108937 349796384 /nfs/dbraw/zinc/79/63/84/349796384.db2.gz QPNZINAGLJMVLT-CYBMUJFWSA-N 1 0 285.775 2.711 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000294981527 199282325 /nfs/dbraw/zinc/28/23/25/199282325.db2.gz GPDWHPJTJSDGRR-LBPRGKRZSA-N 1 0 266.341 2.544 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596141739 349806598 /nfs/dbraw/zinc/80/65/98/349806598.db2.gz JWADRVVLVKXJGS-JTQLQIEISA-N 1 0 298.774 2.564 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145944 349808134 /nfs/dbraw/zinc/80/81/34/349808134.db2.gz ITXMTAMSPHWVKZ-SCZZXKLOSA-N 1 0 269.370 2.859 20 5 CFBDRO Cc1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000294993385 199289509 /nfs/dbraw/zinc/28/95/09/199289509.db2.gz HEYWSRKOKZRVFV-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC[NH+](CC)CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000273921325 192364183 /nfs/dbraw/zinc/36/41/83/192364183.db2.gz QMPKXYRPIMNIHE-UHFFFAOYSA-N 1 0 288.351 2.800 20 5 CFBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000596269567 349848958 /nfs/dbraw/zinc/84/89/58/349848958.db2.gz TZXFDPKHBKYJNF-SNVBAGLBSA-N 1 0 298.774 2.564 20 5 CFBDRO COc1cccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309866 349859932 /nfs/dbraw/zinc/85/99/32/349859932.db2.gz YVTZSKOAJXWJKD-LLVKDONJSA-N 1 0 293.367 2.888 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000596326768 349864550 /nfs/dbraw/zinc/86/45/50/349864550.db2.gz LEAZLQLIUDAOLE-LLVKDONJSA-N 1 0 263.341 2.880 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC([NH2+]CC3CC3)CC2)cs1 ZINC000128116175 187352940 /nfs/dbraw/zinc/35/29/40/187352940.db2.gz ZOFCJQSPAJSANS-UHFFFAOYSA-N 1 0 295.408 2.620 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000128137817 187353789 /nfs/dbraw/zinc/35/37/89/187353789.db2.gz LNRSSKPRJCWNSB-GJZGRUSLSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c2cnccc12)[NH+](C)C ZINC000596424638 349899305 /nfs/dbraw/zinc/89/93/05/349899305.db2.gz IMFXKYFEIUEQOY-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@H](CCNc1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000596432569 349901023 /nfs/dbraw/zinc/90/10/23/349901023.db2.gz QTJAWMMWHQGHFT-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074725691 347028907 /nfs/dbraw/zinc/02/89/07/347028907.db2.gz RXKCSRYQJLVSKA-LBPRGKRZSA-N 1 0 290.323 2.606 20 5 CFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421401544 282335963 /nfs/dbraw/zinc/33/59/63/282335963.db2.gz CPDHGGUMAHHRKI-GTBONMDNSA-N 1 0 289.379 2.634 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000413433333 530055051 /nfs/dbraw/zinc/05/50/51/530055051.db2.gz DGSYESZABNXIAB-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000075469652 347078788 /nfs/dbraw/zinc/07/87/88/347078788.db2.gz FIWLJTXTONQDCG-LLVKDONJSA-N 1 0 251.330 2.737 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000097934283 232183871 /nfs/dbraw/zinc/18/38/71/232183871.db2.gz YAALMBOCXKGXBL-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000031582039 346295604 /nfs/dbraw/zinc/29/56/04/346295604.db2.gz NFQYAOBVPHPTDN-UHFFFAOYSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1([NH3+])CCCCC1 ZINC000037029626 346325622 /nfs/dbraw/zinc/32/56/22/346325622.db2.gz OPQXDOGPYKRQBZ-UHFFFAOYSA-N 1 0 277.324 2.503 20 5 CFBDRO CC[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000075677161 347091923 /nfs/dbraw/zinc/09/19/23/347091923.db2.gz XXMGFGIQBXPIPL-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO C[NH+](C)CCc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000596637110 349964245 /nfs/dbraw/zinc/96/42/45/349964245.db2.gz GLVMEWCPAGGVBT-UHFFFAOYSA-N 1 0 271.320 2.761 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509175 232520615 /nfs/dbraw/zinc/52/06/15/232520615.db2.gz NCMZOFSWZNVENZ-GHMZBOCLSA-N 1 0 298.412 2.831 20 5 CFBDRO C[C@@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648607 349967497 /nfs/dbraw/zinc/96/74/97/349967497.db2.gz SNXJWFNRKFWWRL-LLVKDONJSA-N 1 0 263.341 2.517 20 5 CFBDRO [NH3+]C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000596647786 349967878 /nfs/dbraw/zinc/96/78/78/349967878.db2.gz BQCZTGCIDCMPQB-OAHLLOKOSA-N 1 0 289.379 2.833 20 5 CFBDRO CC[C@@H](C)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000054470514 346570158 /nfs/dbraw/zinc/57/01/58/346570158.db2.gz BMZDPNLJUKMPGE-LLVKDONJSA-N 1 0 252.314 2.609 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000060375308 346664317 /nfs/dbraw/zinc/66/43/17/346664317.db2.gz VIEVOENMZLEZGD-AWEZNQCLSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)c1 ZINC000066494540 346764692 /nfs/dbraw/zinc/76/46/92/346764692.db2.gz WOZUVTKSQHRFTN-CQSZACIVSA-N 1 0 287.363 2.826 20 5 CFBDRO C[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000075892389 347106135 /nfs/dbraw/zinc/10/61/35/347106135.db2.gz ZHKYLSLPNSJHJZ-VXGBXAGGSA-N 1 0 280.393 2.963 20 5 CFBDRO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000076111547 347122526 /nfs/dbraw/zinc/12/25/26/347122526.db2.gz CGDVQMRMQYWCLH-AOOOYVTPSA-N 1 0 252.289 2.822 20 5 CFBDRO COc1cc(C[NH2+]CCCC2CC2)c([N+](=O)[O-])cc1O ZINC000076767756 347151931 /nfs/dbraw/zinc/15/19/31/347151931.db2.gz MURPCFWKLVVJRB-UHFFFAOYSA-N 1 0 280.324 2.589 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])s1 ZINC000078455755 347253625 /nfs/dbraw/zinc/25/36/25/347253625.db2.gz YLIIPLSBGNXOBU-NSHDSACASA-N 1 0 283.397 2.967 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000085974901 179207687 /nfs/dbraw/zinc/20/76/87/179207687.db2.gz BPGWBCYAJZMVMH-LNSITVRQSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000078576602 347262763 /nfs/dbraw/zinc/26/27/63/347262763.db2.gz CCWLSNBRVBQPMD-AWEZNQCLSA-N 1 0 263.341 2.515 20 5 CFBDRO Cc1cnc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000078628833 347266086 /nfs/dbraw/zinc/26/60/86/347266086.db2.gz CXLPPPVGGVCHCR-AWEZNQCLSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000078744982 347273246 /nfs/dbraw/zinc/27/32/46/347273246.db2.gz KYKRBESOQKBCAE-NSHDSACASA-N 1 0 251.330 2.737 20 5 CFBDRO Cc1cc(N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000079936067 347332369 /nfs/dbraw/zinc/33/23/69/347332369.db2.gz GYGXHTOYHCYLCX-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000080537924 347364586 /nfs/dbraw/zinc/36/45/86/347364586.db2.gz WNEXBFXPYOQSMN-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000083469679 347452159 /nfs/dbraw/zinc/45/21/59/347452159.db2.gz QDCOQXMOCULKOR-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000088720117 347507932 /nfs/dbraw/zinc/50/79/32/347507932.db2.gz BEXMRMDDXAZFCE-AWEZNQCLSA-N 1 0 263.341 2.655 20 5 CFBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537971 347551641 /nfs/dbraw/zinc/55/16/41/347551641.db2.gz ZEQDSXOQBCBCJT-KGLIPLIRSA-N 1 0 280.372 2.596 20 5 CFBDRO CCOc1cc(SCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000092675613 347639697 /nfs/dbraw/zinc/63/96/97/347639697.db2.gz IGXYIBHAWGADNN-UHFFFAOYSA-N 1 0 270.354 2.647 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3ccccn23)cc1 ZINC000105448167 347729032 /nfs/dbraw/zinc/72/90/32/347729032.db2.gz NNXXWZJBCURBIM-UHFFFAOYSA-N 1 0 296.330 2.575 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CCCCC2)cs1 ZINC000122870728 347817233 /nfs/dbraw/zinc/81/72/33/347817233.db2.gz HQAVRQCGLUFJHV-UHFFFAOYSA-N 1 0 284.381 2.689 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000129955218 347865823 /nfs/dbraw/zinc/86/58/23/347865823.db2.gz XPKQFRKMOVBOAN-JTQLQIEISA-N 1 0 264.325 2.882 20 5 CFBDRO COc1cccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000134909106 347902391 /nfs/dbraw/zinc/90/23/91/347902391.db2.gz LNHSVBHHDIYDEE-LBPRGKRZSA-N 1 0 293.367 2.746 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000162721152 348032088 /nfs/dbraw/zinc/03/20/88/348032088.db2.gz QEKJHLXJBKPINR-LBPRGKRZSA-N 1 0 292.383 2.832 20 5 CFBDRO C[C@@H]1SCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000220691649 348170237 /nfs/dbraw/zinc/17/02/37/348170237.db2.gz JSEXMGRXSCUQQE-GWCFXTLKSA-N 1 0 266.366 2.621 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227650430 348189028 /nfs/dbraw/zinc/18/90/28/348189028.db2.gz YMDUNLFEWMIOAU-SECBINFHSA-N 1 0 286.763 2.785 20 5 CFBDRO Cc1cccc(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000236013384 348231047 /nfs/dbraw/zinc/23/10/47/348231047.db2.gz OBQYPEPSVPIMLW-NSHDSACASA-N 1 0 261.325 2.552 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000236653364 348234389 /nfs/dbraw/zinc/23/43/89/348234389.db2.gz FVMOYOBGCORKIZ-AWEZNQCLSA-N 1 0 291.395 2.902 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250049483 348285726 /nfs/dbraw/zinc/28/57/26/348285726.db2.gz GHNMNVZUWLNFEJ-HZPDHXFCSA-N 1 0 289.379 2.701 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000278844213 348339571 /nfs/dbraw/zinc/33/95/71/348339571.db2.gz WGUDMZQOIGVMMU-HUUCEWRRSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293206743 348361481 /nfs/dbraw/zinc/36/14/81/348361481.db2.gz RAMXAAWSNNJLFS-STQMWFEESA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000311882650 348415619 /nfs/dbraw/zinc/41/56/19/348415619.db2.gz NHAWOWFFBSDQOQ-SECBINFHSA-N 1 0 286.763 2.784 20 5 CFBDRO COc1cc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000312711958 348420069 /nfs/dbraw/zinc/42/00/69/348420069.db2.gz SXQUYWDXJMNBOZ-LLVKDONJSA-N 1 0 281.356 2.664 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000273360244 192125462 /nfs/dbraw/zinc/12/54/62/192125462.db2.gz DBPJWXSRIYXJMV-QWHCGFSZSA-N 1 0 278.352 2.808 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000273374039 192130494 /nfs/dbraw/zinc/13/04/94/192130494.db2.gz GKDAYJNQQXGGTH-AWEZNQCLSA-N 1 0 266.341 2.664 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000320315085 348435960 /nfs/dbraw/zinc/43/59/60/348435960.db2.gz MFVXEMYHUSDQTJ-NSHDSACASA-N 1 0 294.351 2.662 20 5 CFBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000314874361 348428070 /nfs/dbraw/zinc/42/80/70/348428070.db2.gz KVBADCCVPKDYGK-NSHDSACASA-N 1 0 293.342 2.939 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000403707959 348585887 /nfs/dbraw/zinc/58/58/87/348585887.db2.gz WKPKTSRDADQSFA-RWMBFGLXSA-N 1 0 276.336 2.882 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000584590237 348681187 /nfs/dbraw/zinc/68/11/87/348681187.db2.gz RJXZBBJPYCYWKD-SDDRHHMPSA-N 1 0 264.325 2.731 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589198199 348819247 /nfs/dbraw/zinc/81/92/47/348819247.db2.gz QRTKKVIFWCECPB-MRXNPFEDSA-N 1 0 292.379 2.921 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CCCC2)c1 ZINC000589495098 348835927 /nfs/dbraw/zinc/83/59/27/348835927.db2.gz YYQSZMDLIDMKHK-UHFFFAOYSA-N 1 0 292.335 2.756 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CF ZINC000588930596 348804333 /nfs/dbraw/zinc/80/43/33/348804333.db2.gz OFSIYFSLNPBAMR-SDKXAQGSSA-N 1 0 252.289 2.946 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(C2CC2)C1 ZINC000589736873 348854666 /nfs/dbraw/zinc/85/46/66/348854666.db2.gz UNHOLCVHMCBPEN-HYXAFXHYSA-N 1 0 258.321 2.950 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]2F)n1 ZINC000590263988 348887784 /nfs/dbraw/zinc/88/77/84/348887784.db2.gz GQZXLDARYFLRLY-RNJOBUHISA-N 1 0 296.346 2.755 20 5 CFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590752863 348943250 /nfs/dbraw/zinc/94/32/50/348943250.db2.gz ACLLLCPOMQMIKO-HONMWMINSA-N 1 0 292.335 2.587 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661407 348924400 /nfs/dbraw/zinc/92/44/00/348924400.db2.gz DJQXIFNYOVKUFL-IAQYHMDHSA-N 1 0 278.352 2.673 20 5 CFBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000591166421 348996271 /nfs/dbraw/zinc/99/62/71/348996271.db2.gz XFGUVIZGGIVRMP-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000591266079 349004891 /nfs/dbraw/zinc/00/48/91/349004891.db2.gz YOZYKLDFGXTPMO-GZMMTYOYSA-N 1 0 256.252 2.728 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000591266009 349005494 /nfs/dbraw/zinc/00/54/94/349005494.db2.gz JPUFEUZSZCZSKX-PSASIEDQSA-N 1 0 286.278 2.737 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1 ZINC000591275638 349006021 /nfs/dbraw/zinc/00/60/21/349006021.db2.gz NSLQQEMVQUVTBG-UKRRQHHQSA-N 1 0 291.395 2.648 20 5 CFBDRO Cc1c([C@@H](C)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591577814 349031258 /nfs/dbraw/zinc/03/12/58/349031258.db2.gz IDCJFSIDNZGNNA-OLZOCXBDSA-N 1 0 277.368 2.696 20 5 CFBDRO CCC[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581139 349032570 /nfs/dbraw/zinc/03/25/70/349032570.db2.gz LPNOLVQQRXMPDP-KCQAQPDRSA-N 1 0 295.358 2.726 20 5 CFBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCC1C[NH2+]C1 ZINC000592158881 349093946 /nfs/dbraw/zinc/09/39/46/349093946.db2.gz YSZRJTWHHHTOOK-UHFFFAOYSA-N 1 0 284.315 2.860 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000592165180 349094676 /nfs/dbraw/zinc/09/46/76/349094676.db2.gz BCCDGCUZOUGREL-MGCOHNPYSA-N 1 0 299.758 2.787 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414216304 233198220 /nfs/dbraw/zinc/19/82/20/233198220.db2.gz ZLWCGSFRRUCNRV-OLZOCXBDSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000592374951 349111184 /nfs/dbraw/zinc/11/11/84/349111184.db2.gz MZUMPJRCHXXXKM-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592374954 349111262 /nfs/dbraw/zinc/11/12/62/349111262.db2.gz NDHDHZCAJVHCJN-CSIFZYERSA-N 1 0 292.379 2.995 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000592374949 349111414 /nfs/dbraw/zinc/11/14/14/349111414.db2.gz MZUMPJRCHXXXKM-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593115113 349212411 /nfs/dbraw/zinc/21/24/11/349212411.db2.gz ICOKUXKFFLGJJM-GFCCVEGCSA-N 1 0 268.263 2.826 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000593518005 349288786 /nfs/dbraw/zinc/28/87/86/349288786.db2.gz WNJXCYNAKMXTNF-UHFFFAOYSA-N 1 0 269.370 2.578 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH+]ccn1CC ZINC000414308186 233222230 /nfs/dbraw/zinc/22/22/30/233222230.db2.gz WAFRVWIDBMMYKH-UHFFFAOYSA-N 1 0 290.323 2.822 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593316192 349245663 /nfs/dbraw/zinc/24/56/63/349245663.db2.gz NAZWLHFJPQLPKE-BLLLJJGKSA-N 1 0 291.395 2.853 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000594006376 349352270 /nfs/dbraw/zinc/35/22/70/349352270.db2.gz XYHDAZTXGNECOC-CYBMUJFWSA-N 1 0 264.325 2.752 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000593668368 349307606 /nfs/dbraw/zinc/30/76/06/349307606.db2.gz KVZNEWUQKNLQAD-MRXNPFEDSA-N 1 0 290.363 2.890 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000593716050 349313892 /nfs/dbraw/zinc/31/38/92/349313892.db2.gz FNLWWKXYXDTKHZ-LTZCYQRMSA-N 1 0 276.336 2.874 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597048557 350020798 /nfs/dbraw/zinc/02/07/98/350020798.db2.gz WUKKKURICMJEMU-VZJVUDMVSA-N 1 0 276.336 2.813 20 5 CFBDRO Cc1ccc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597196071 350051167 /nfs/dbraw/zinc/05/11/67/350051167.db2.gz QHVVKDAYKVVNAD-IYBDPMFKSA-N 1 0 290.363 2.762 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597231705 350065927 /nfs/dbraw/zinc/06/59/27/350065927.db2.gz PSAJTAOHMFFBJY-SZWGIHMLSA-N 1 0 288.347 2.576 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090725266 180033077 /nfs/dbraw/zinc/03/30/77/180033077.db2.gz IHIKMKQFJMGJLB-UWVGGRQHSA-N 1 0 254.355 2.997 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC[NH+](C)C ZINC000597665742 350122161 /nfs/dbraw/zinc/12/21/61/350122161.db2.gz FQYLYNGYOMEYKM-UHFFFAOYSA-N 1 0 293.367 2.882 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129571950 187439728 /nfs/dbraw/zinc/43/97/28/187439728.db2.gz JPICVHMDHKYFQJ-VHDGCEQUSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104687442 186014318 /nfs/dbraw/zinc/01/43/18/186014318.db2.gz BUICIXSNGXWFMM-NSHDSACASA-N 1 0 279.340 2.572 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+](C)C ZINC000271316666 191069993 /nfs/dbraw/zinc/06/99/93/191069993.db2.gz NSGQCPOTMSQWQN-QMMMGPOBSA-N 1 0 289.282 2.558 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNCC1([NH3+])CCCCC1 ZINC000414842903 233374935 /nfs/dbraw/zinc/37/49/35/233374935.db2.gz NJMABFJIVZXYGJ-UHFFFAOYSA-N 1 0 277.368 2.654 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNCC[C@@H]1C ZINC000414910954 233395737 /nfs/dbraw/zinc/39/57/37/233395737.db2.gz CXNQQBORXFQLKA-GUTXKFCHSA-N 1 0 291.395 2.504 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNCC[C@H]1C ZINC000414910961 233397700 /nfs/dbraw/zinc/39/77/00/233397700.db2.gz CXNQQBORXFQLKA-NFAWXSAZSA-N 1 0 291.395 2.504 20 5 CFBDRO C[NH2+]C1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000598632602 350297541 /nfs/dbraw/zinc/29/75/41/350297541.db2.gz GUESUKKLYDDIGY-UHFFFAOYSA-N 1 0 269.732 2.802 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598645346 350300416 /nfs/dbraw/zinc/30/04/16/350300416.db2.gz HFOWSOLUIUMCQF-BZPMIXESSA-N 1 0 278.352 2.606 20 5 CFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598717311 350316710 /nfs/dbraw/zinc/31/67/10/350316710.db2.gz DRYPZSGTLZVNFH-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000598932625 350347766 /nfs/dbraw/zinc/34/77/66/350347766.db2.gz OEDOHRFDGXIPGF-CQSZACIVSA-N 1 0 286.335 2.528 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000598985598 350354296 /nfs/dbraw/zinc/35/42/96/350354296.db2.gz VGETVWRMFPWEQP-LBPRGKRZSA-N 1 0 264.325 2.501 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000598988837 350354910 /nfs/dbraw/zinc/35/49/10/350354910.db2.gz CEWMOHKNLAYZJR-KRWDZBQOSA-N 1 0 298.342 2.826 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599030361 350361995 /nfs/dbraw/zinc/36/19/95/350361995.db2.gz LVVPEBQMVWDUGJ-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO CO[C@H](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038072 350362626 /nfs/dbraw/zinc/36/26/26/350362626.db2.gz MRXZKNGTSRODMV-SNVBAGLBSA-N 1 0 275.308 2.980 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038815 350363143 /nfs/dbraw/zinc/36/31/43/350363143.db2.gz UAUKAAKHCPHNBX-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599071925 350370582 /nfs/dbraw/zinc/37/05/82/350370582.db2.gz BWJRLYJVCMJOKL-HONMWMINSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071827 350371077 /nfs/dbraw/zinc/37/10/77/350371077.db2.gz UKTBSNGFTDWCMY-UONOGXRCSA-N 1 0 291.395 2.977 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1COC1 ZINC000599081520 350372472 /nfs/dbraw/zinc/37/24/72/350372472.db2.gz OCJVSBTXYJQPPA-LBPRGKRZSA-N 1 0 296.392 2.702 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000599083965 350373232 /nfs/dbraw/zinc/37/32/32/350373232.db2.gz NVJQRMFPLKLZKX-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599086279 350373568 /nfs/dbraw/zinc/37/35/68/350373568.db2.gz ZXUPZNVWNMJOEM-DIOULYMOSA-N 1 0 288.347 2.739 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599092260 350374061 /nfs/dbraw/zinc/37/40/61/350374061.db2.gz KAUBXJZTMVCTPL-RBSFLKMASA-N 1 0 290.363 2.683 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599092013 350374208 /nfs/dbraw/zinc/37/42/08/350374208.db2.gz NOBMMQBJMZFBFF-BZPMIXESSA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599092259 350374470 /nfs/dbraw/zinc/37/44/70/350374470.db2.gz KAUBXJZTMVCTPL-KKUMJFAQSA-N 1 0 290.363 2.683 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599091363 350374520 /nfs/dbraw/zinc/37/45/20/350374520.db2.gz GAUOTJYDUVHQSL-MRVWCRGKSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092391951 180375650 /nfs/dbraw/zinc/37/56/50/180375650.db2.gz KNECDQQNLMHVEY-WCQYABFASA-N 1 0 266.341 2.571 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392411 180376153 /nfs/dbraw/zinc/37/61/53/180376153.db2.gz IYWUUKRWTTZOTF-ZIAGYGMSSA-N 1 0 266.341 2.652 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000599673396 350478490 /nfs/dbraw/zinc/47/84/90/350478490.db2.gz MMXCXHQWMWOTQK-UHFFFAOYSA-N 1 0 272.370 2.639 20 5 CFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107695850 186187233 /nfs/dbraw/zinc/18/72/33/186187233.db2.gz WBORLQPUGPKPKW-JTQLQIEISA-N 1 0 270.354 2.515 20 5 CFBDRO C[C@@H]([NH2+]CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000108942326 186237092 /nfs/dbraw/zinc/23/70/92/186237092.db2.gz MFNOBUODFXDEFK-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CC(C)CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149330 350682008 /nfs/dbraw/zinc/68/20/08/350682008.db2.gz LILNLLZAZBDEFB-HNNXBMFYSA-N 1 0 280.368 2.828 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000601154711 350683706 /nfs/dbraw/zinc/68/37/06/350683706.db2.gz UGHCGJPXZHIOTE-GFCCVEGCSA-N 1 0 294.330 2.558 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601174196 350689611 /nfs/dbraw/zinc/68/96/11/350689611.db2.gz RIHNSZRISMNPJX-ZDUSSCGKSA-N 1 0 286.335 2.724 20 5 CFBDRO CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298790 350719034 /nfs/dbraw/zinc/71/90/34/350719034.db2.gz LMGIWPLEYBQZID-RYUDHWBXSA-N 1 0 288.294 2.652 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601983843 350823410 /nfs/dbraw/zinc/82/34/10/350823410.db2.gz PLKBNELSQOWRPU-LLVKDONJSA-N 1 0 293.367 2.794 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCCC3)nc2c1 ZINC000602503601 350908081 /nfs/dbraw/zinc/90/80/81/350908081.db2.gz MKEZINCROJWMIG-UHFFFAOYSA-N 1 0 261.281 2.768 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000602538318 350917753 /nfs/dbraw/zinc/91/77/53/350917753.db2.gz DZVFBDGWEGAPGZ-JOYOIKCWSA-N 1 0 286.278 2.607 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000602544038 350919376 /nfs/dbraw/zinc/91/93/76/350919376.db2.gz HMMPGPLRCMOYJY-BXKDBHETSA-N 1 0 270.279 2.771 20 5 CFBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602547319 350919921 /nfs/dbraw/zinc/91/99/21/350919921.db2.gz WWWBHUIOAAJFMF-IUODEOHRSA-N 1 0 280.368 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC=CCC3)nc2c1 ZINC000602551972 350921643 /nfs/dbraw/zinc/92/16/43/350921643.db2.gz LYLBIZHEVUOHFF-SNVBAGLBSA-N 1 0 273.292 2.934 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CC(C)C)OC ZINC000602553610 350921738 /nfs/dbraw/zinc/92/17/38/350921738.db2.gz VOGOEKCTFNPASU-AWEZNQCLSA-N 1 0 296.367 2.754 20 5 CFBDRO CSC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552255 350922026 /nfs/dbraw/zinc/92/20/26/350922026.db2.gz MFLCIMWUBVOJAK-QMMMGPOBSA-N 1 0 281.337 2.577 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000602559017 350924295 /nfs/dbraw/zinc/92/42/95/350924295.db2.gz RXCVWUIPQTTZLY-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC[C@@H]1O ZINC000602573596 350929244 /nfs/dbraw/zinc/92/92/44/350929244.db2.gz SOPUXMWYDUNZSO-JKSUJKDBSA-N 1 0 292.379 2.668 20 5 CFBDRO CC[C@@](C)(C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000602441254 350883635 /nfs/dbraw/zinc/88/36/35/350883635.db2.gz WLWFJMRBJRDKMC-AWEZNQCLSA-N 1 0 266.341 2.842 20 5 CFBDRO CCOC1CC(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602646067 350960010 /nfs/dbraw/zinc/96/00/10/350960010.db2.gz PSBLHPAMBNUIGH-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602657173 350963835 /nfs/dbraw/zinc/96/38/35/350963835.db2.gz XKDJCDGYUOWSBY-PSASIEDQSA-N 1 0 261.281 2.624 20 5 CFBDRO [NH3+]CCN(CC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000602658597 350964819 /nfs/dbraw/zinc/96/48/19/350964819.db2.gz FQMDTBIINNFGHN-UHFFFAOYSA-N 1 0 295.408 2.503 20 5 CFBDRO COCC(C)(C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602671283 350970541 /nfs/dbraw/zinc/97/05/41/350970541.db2.gz FLQCIWPHMFXMAA-UHFFFAOYSA-N 1 0 293.323 2.593 20 5 CFBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000602699014 350986189 /nfs/dbraw/zinc/98/61/89/350986189.db2.gz PCLSQECBTCFVKC-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO CCC1([NH+](C)C)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602738366 351009356 /nfs/dbraw/zinc/00/93/56/351009356.db2.gz JFNZYWDZVDYQKX-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)nc2c1 ZINC000602638788 350957531 /nfs/dbraw/zinc/95/75/31/350957531.db2.gz WWKHKPRKHAZCHO-JGPRNRPPSA-N 1 0 286.335 2.607 20 5 CFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776754 351021190 /nfs/dbraw/zinc/02/11/90/351021190.db2.gz DFIJOLUSZUBSTB-DGCLKSJQSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000602796742 351028490 /nfs/dbraw/zinc/02/84/90/351028490.db2.gz CLDICIWFXFQGCG-QWRGUYRKSA-N 1 0 280.372 2.514 20 5 CFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602811186 351034891 /nfs/dbraw/zinc/03/48/91/351034891.db2.gz LEWIPFCNJFCDBB-CHWSQXEVSA-N 1 0 280.372 2.658 20 5 CFBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000602836492 351041335 /nfs/dbraw/zinc/04/13/35/351041335.db2.gz FWCKANQTRHYEPB-SRVKXCTJSA-N 1 0 280.372 2.633 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000602837274 351041422 /nfs/dbraw/zinc/04/14/22/351041422.db2.gz KWOVTDFSLRZSQU-UHFFFAOYSA-N 1 0 294.399 2.999 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000602845614 351043986 /nfs/dbraw/zinc/04/39/86/351043986.db2.gz LGYBYNLPMUHWFF-CQSZACIVSA-N 1 0 292.383 2.612 20 5 CFBDRO Cn1cc(C[NH2+][C@H]2CCCC23CCCCC3)c([N+](=O)[O-])n1 ZINC000602885340 351058323 /nfs/dbraw/zinc/05/83/23/351058323.db2.gz ULZLOBAQJYWFSN-ZDUSSCGKSA-N 1 0 292.383 2.921 20 5 CFBDRO CCCCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962609 351073477 /nfs/dbraw/zinc/07/34/77/351073477.db2.gz MWWKHJJSHMVMIG-AWEZNQCLSA-N 1 0 266.341 2.582 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cs1 ZINC000602997858 351088978 /nfs/dbraw/zinc/08/89/78/351088978.db2.gz SCGDVRNSMZTUQT-XQQFMLRXSA-N 1 0 296.392 2.782 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000603056027 351095709 /nfs/dbraw/zinc/09/57/09/351095709.db2.gz PTRRADFMRRSMBX-NSHDSACASA-N 1 0 282.388 2.714 20 5 CFBDRO C[C@H]1CCC[N@H+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603859910 351187286 /nfs/dbraw/zinc/18/72/86/351187286.db2.gz JATWQMJHUDDSAG-ZDUSSCGKSA-N 1 0 292.383 2.914 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000609560744 351507097 /nfs/dbraw/zinc/50/70/97/351507097.db2.gz JGJXKHWEWIMWOU-SECBINFHSA-N 1 0 257.359 2.799 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000609595494 351511029 /nfs/dbraw/zinc/51/10/29/351511029.db2.gz CRUDIEMMLKYPSX-JTQLQIEISA-N 1 0 269.370 2.623 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609595614 351511036 /nfs/dbraw/zinc/51/10/36/351511036.db2.gz VXFWZSMTXKTJTN-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609204244 351491607 /nfs/dbraw/zinc/49/16/07/351491607.db2.gz YRUMHMALACOPFF-CHWSQXEVSA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C)(C)CO ZINC000609894832 351527442 /nfs/dbraw/zinc/52/74/42/351527442.db2.gz CQHSXNOWLVVFEP-UHFFFAOYSA-N 1 0 296.367 2.585 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133482 351535729 /nfs/dbraw/zinc/53/57/29/351535729.db2.gz RZJDVZKUPOJYLU-RYUDHWBXSA-N 1 0 264.325 2.704 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133480 351535840 /nfs/dbraw/zinc/53/58/40/351535840.db2.gz RZJDVZKUPOJYLU-NEPJUHHUSA-N 1 0 264.325 2.704 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000610132841 351535896 /nfs/dbraw/zinc/53/58/96/351535896.db2.gz RHJAXGOEGCMOFC-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(O)cc1 ZINC000610560162 351582366 /nfs/dbraw/zinc/58/23/66/351582366.db2.gz LJTIRCHIKGVXBG-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO C[C@@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000610602854 351585796 /nfs/dbraw/zinc/58/57/96/351585796.db2.gz NWIKLMBARJTOMU-CHWSQXEVSA-N 1 0 278.352 2.952 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610715949 351596122 /nfs/dbraw/zinc/59/61/22/351596122.db2.gz JIQALYMPXBSRIA-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO Cc1noc(C)c1[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000610786796 351608438 /nfs/dbraw/zinc/60/84/38/351608438.db2.gz VHQLDFKLYQJRNZ-QMMMGPOBSA-N 1 0 291.307 2.756 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000610804403 351610408 /nfs/dbraw/zinc/61/04/08/351610408.db2.gz YZYXSDWKKKDRPV-NWDGAFQWSA-N 1 0 264.325 2.590 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)C1 ZINC000610368673 351561730 /nfs/dbraw/zinc/56/17/30/351561730.db2.gz AFNHLZQCSLJGLC-STQMWFEESA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180315 351648244 /nfs/dbraw/zinc/64/82/44/351648244.db2.gz WSNMLZKXWWTNGO-JTQLQIEISA-N 1 0 286.278 2.561 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCOC(C)(C)C ZINC000610859866 351615646 /nfs/dbraw/zinc/61/56/46/351615646.db2.gz RJFALGGZOORPCR-UHFFFAOYSA-N 1 0 296.367 2.721 20 5 CFBDRO CCCc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000610890155 351619138 /nfs/dbraw/zinc/61/91/38/351619138.db2.gz KNFFVXOVDUBJLE-UHFFFAOYSA-N 1 0 288.351 2.534 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000611411477 351685168 /nfs/dbraw/zinc/68/51/68/351685168.db2.gz FEWSREBHBBARAP-UHFFFAOYSA-N 1 0 257.359 2.799 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000611412436 351685841 /nfs/dbraw/zinc/68/58/41/351685841.db2.gz OZRIMHFSIQOHSS-SECBINFHSA-N 1 0 257.359 2.799 20 5 CFBDRO CCC1(O)CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000611314649 351668266 /nfs/dbraw/zinc/66/82/66/351668266.db2.gz YBBFDELVUFVSLV-UHFFFAOYSA-N 1 0 284.381 2.830 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337487 351669838 /nfs/dbraw/zinc/66/98/38/351669838.db2.gz SXESCBDQSCSLQL-DZGCQCFKSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000611370317 351675204 /nfs/dbraw/zinc/67/52/04/351675204.db2.gz XXJFZEPGZAAANI-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370297 351675565 /nfs/dbraw/zinc/67/55/65/351675565.db2.gz LTXLJMRQUTYNNR-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)C2CC2)n1 ZINC000611616321 351714742 /nfs/dbraw/zinc/71/47/42/351714742.db2.gz WHZDFZYYIPSLLR-LLVKDONJSA-N 1 0 278.356 2.501 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616928 351715287 /nfs/dbraw/zinc/71/52/87/351715287.db2.gz YGGQWSGVINYADP-GFCCVEGCSA-N 1 0 278.356 2.503 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611943559 351754379 /nfs/dbraw/zinc/75/43/79/351754379.db2.gz NYCNNIKORVPEQE-LLVKDONJSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122265229 187023389 /nfs/dbraw/zinc/02/33/89/187023389.db2.gz ZCRZMHGKWNNGSJ-WDEREUQCSA-N 1 0 261.325 2.632 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000122708309 187047087 /nfs/dbraw/zinc/04/70/87/187047087.db2.gz RDAXKOJEQYCRMH-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000122850939 187055254 /nfs/dbraw/zinc/05/52/54/187055254.db2.gz OYFGVCBULMKGOX-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122857603 187055778 /nfs/dbraw/zinc/05/57/78/187055778.db2.gz BYKAXKUXYIBEIP-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123550985 187098060 /nfs/dbraw/zinc/09/80/60/187098060.db2.gz XNTAAAPJWOCPKI-CYBMUJFWSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123846868 187111554 /nfs/dbraw/zinc/11/15/54/187111554.db2.gz XSBKERYZVIFMBD-GXTWGEPZSA-N 1 0 278.352 2.720 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123898634 187114145 /nfs/dbraw/zinc/11/41/45/187114145.db2.gz BTLNOUZVBIQUIP-KBPBESRZSA-N 1 0 266.341 2.652 20 5 CFBDRO CCOc1cccc(N2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000613048380 351894392 /nfs/dbraw/zinc/89/43/92/351894392.db2.gz ADFGGHISUYQWIL-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000615491044 352199336 /nfs/dbraw/zinc/19/93/36/352199336.db2.gz MXULQWCTGDBSKZ-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO Cc1cccc(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000614975813 352138218 /nfs/dbraw/zinc/13/82/18/352138218.db2.gz BRAHXIPSSODKHM-ZDUSSCGKSA-N 1 0 277.368 2.870 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271513350 191186221 /nfs/dbraw/zinc/18/62/21/191186221.db2.gz PDBXFXBTFQKKLO-GRYCIOLGSA-N 1 0 266.341 2.977 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000271508441 191182577 /nfs/dbraw/zinc/18/25/77/191182577.db2.gz OJQCAKVRFMEMRZ-LLVKDONJSA-N 1 0 288.351 2.737 20 5 CFBDRO Cc1c(C[NH2+]Cc2cnc3ccccn23)cccc1[N+](=O)[O-] ZINC000616482862 352357912 /nfs/dbraw/zinc/35/79/12/352357912.db2.gz PALQXYCCPBDNBF-UHFFFAOYSA-N 1 0 296.330 2.841 20 5 CFBDRO COCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000292123024 198172059 /nfs/dbraw/zinc/17/20/59/198172059.db2.gz HUROFNUGDSFSMG-UHFFFAOYSA-N 1 0 270.304 2.591 20 5 CFBDRO C[C@H]([NH2+]CCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000134821812 187774530 /nfs/dbraw/zinc/77/45/30/187774530.db2.gz QYXHOQJPTLQIPI-LBPRGKRZSA-N 1 0 274.324 2.532 20 5 CFBDRO CN1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618565162 352810396 /nfs/dbraw/zinc/81/03/96/352810396.db2.gz CSXPQMMJLVKXII-CZUORRHYSA-N 1 0 289.379 2.656 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000619426591 353021051 /nfs/dbraw/zinc/02/10/51/353021051.db2.gz IRQUTHLPXXTZEC-JSGCOSHPSA-N 1 0 294.351 2.651 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000619427229 353021504 /nfs/dbraw/zinc/02/15/04/353021504.db2.gz JDBFQWBROOPTFO-KGLIPLIRSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000619726537 353060715 /nfs/dbraw/zinc/06/07/15/353060715.db2.gz DBHLAZLDZFYYKT-UHFFFAOYSA-N 1 0 290.363 2.762 20 5 CFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000619705815 353056440 /nfs/dbraw/zinc/05/64/40/353056440.db2.gz SAMUEDKDANARPL-LLVKDONJSA-N 1 0 291.351 2.559 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CC)cc1[N+](=O)[O-] ZINC000153668961 188096364 /nfs/dbraw/zinc/09/63/64/188096364.db2.gz UGSMFSJDPFZEIC-IAQYHMDHSA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000153931206 188112533 /nfs/dbraw/zinc/11/25/33/188112533.db2.gz LXNGJPPMWDMXLH-WCBMZHEXSA-N 1 0 296.758 2.680 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000154147704 188126264 /nfs/dbraw/zinc/12/62/64/188126264.db2.gz QZNSMSNRSPELTD-LLVKDONJSA-N 1 0 284.743 2.717 20 5 CFBDRO Cc1ccoc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000157982930 188350948 /nfs/dbraw/zinc/35/09/48/188350948.db2.gz YNDNPYOQLYPKSH-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000271689710 191278168 /nfs/dbraw/zinc/27/81/68/191278168.db2.gz JZVGNYMYIALRNN-AWEZNQCLSA-N 1 0 288.351 2.612 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CF)CC1 ZINC000295191509 199397146 /nfs/dbraw/zinc/39/71/46/199397146.db2.gz TWZXOHBZZWDVTQ-UHFFFAOYSA-N 1 0 282.315 2.655 20 5 CFBDRO CC(C)([NH2+]C[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000492192386 535250663 /nfs/dbraw/zinc/25/06/63/535250663.db2.gz FZRYHLWQTJIIBL-GFCCVEGCSA-N 1 0 278.352 2.846 20 5 CFBDRO COC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271756070 191308127 /nfs/dbraw/zinc/30/81/27/191308127.db2.gz OAQKBNXUCVXKFY-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272557562 191788293 /nfs/dbraw/zinc/78/82/93/191788293.db2.gz DQWIRDQUKVRJNR-HOCLYGCPSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000273008966 192017433 /nfs/dbraw/zinc/01/74/33/192017433.db2.gz BRMBXJQPMCSTQI-GHMZBOCLSA-N 1 0 284.381 2.951 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294425842 199035499 /nfs/dbraw/zinc/03/54/99/199035499.db2.gz UOUDPKIJVGAGNZ-WDBKCZKBSA-N 1 0 293.367 2.521 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294673329 199128546 /nfs/dbraw/zinc/12/85/46/199128546.db2.gz HUPUJUSICHDUAV-CMPLNLGQSA-N 1 0 295.383 2.625 20 5 CFBDRO CCC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000294800497 199189674 /nfs/dbraw/zinc/18/96/74/199189674.db2.gz CEMFYFIKSASDIM-OAHLLOKOSA-N 1 0 280.368 2.966 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC1(C)C ZINC000294839214 199206867 /nfs/dbraw/zinc/20/68/67/199206867.db2.gz QYFGMHWSZFGEBP-ZDUSSCGKSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916820 237345944 /nfs/dbraw/zinc/34/59/44/237345944.db2.gz BOAUYHSHBGNUTE-YRGRVCCFSA-N 1 0 277.368 2.694 20 5 CFBDRO CCn1ccnc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000297603868 200239486 /nfs/dbraw/zinc/23/94/86/200239486.db2.gz IEFYIKCMNOZUJR-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177174629 189034123 /nfs/dbraw/zinc/03/41/23/189034123.db2.gz SZEICUPGOLXMHR-VIFPVBQESA-N 1 0 261.281 2.720 20 5 CFBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178343063 189108623 /nfs/dbraw/zinc/10/86/23/189108623.db2.gz HOBOVGFNAHNBFA-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO CC1(C)CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178860116 189150913 /nfs/dbraw/zinc/15/09/13/189150913.db2.gz ZMLIJPBPRBPVAZ-CYBMUJFWSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423219058 238284487 /nfs/dbraw/zinc/28/44/87/238284487.db2.gz VTDHJDRNVWHFDS-WBVHZDCISA-N 1 0 297.358 2.636 20 5 CFBDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000180097689 189236606 /nfs/dbraw/zinc/23/66/06/189236606.db2.gz WFQREWCGLGCCLX-UHFFFAOYSA-N 1 0 294.351 2.986 20 5 CFBDRO C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000301980398 540971678 /nfs/dbraw/zinc/97/16/78/540971678.db2.gz ARJBBMZGIUVLIM-DTWKUNHWSA-N 1 0 267.354 2.693 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000180449558 189256185 /nfs/dbraw/zinc/25/61/85/189256185.db2.gz NXPOHVBVILDCQF-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000301425550 201004386 /nfs/dbraw/zinc/00/43/86/201004386.db2.gz DIAVZJKJMISJHL-ZDUSSCGKSA-N 1 0 277.368 2.905 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000183253402 189352072 /nfs/dbraw/zinc/35/20/72/189352072.db2.gz ZWZJPQRKZBFTGY-AWEZNQCLSA-N 1 0 264.325 2.514 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183283783 189353406 /nfs/dbraw/zinc/35/34/06/189353406.db2.gz XIIDXPXAONWZOP-CQSZACIVSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000301996811 201293468 /nfs/dbraw/zinc/29/34/68/201293468.db2.gz HTFIEYVAYCMEGD-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO CC1=CC[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000302158774 201372359 /nfs/dbraw/zinc/37/23/59/201372359.db2.gz OMRRVLLTRXLVJL-UHFFFAOYSA-N 1 0 279.315 2.798 20 5 CFBDRO CC(C)C1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000433146387 240109835 /nfs/dbraw/zinc/10/98/35/240109835.db2.gz VEZCNZWRSVVEFC-UHFFFAOYSA-N 1 0 294.399 2.938 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000434790646 240273994 /nfs/dbraw/zinc/27/39/94/240273994.db2.gz XFEQMZRJGVSMHA-MRXNPFEDSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000275763905 193122794 /nfs/dbraw/zinc/12/27/94/193122794.db2.gz SDPITQOBOCFNAZ-VXGBXAGGSA-N 1 0 262.309 2.938 20 5 CFBDRO Cc1nccnc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000275845467 193144196 /nfs/dbraw/zinc/14/41/96/193144196.db2.gz JZZMZUVPWKDUOK-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275867284 193150137 /nfs/dbraw/zinc/15/01/37/193150137.db2.gz NQFOCAGPQSIEEY-AULYBMBSSA-N 1 0 298.770 2.984 20 5 CFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)C ZINC000444625367 241154703 /nfs/dbraw/zinc/15/47/03/241154703.db2.gz IBRKQJQMVFRDGS-UHFFFAOYSA-N 1 0 276.340 2.949 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000444230605 241126774 /nfs/dbraw/zinc/12/67/74/241126774.db2.gz ZCYXVNNWJJCPKU-CMPLNLGQSA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](C)O1 ZINC000446086327 241277715 /nfs/dbraw/zinc/27/77/15/241277715.db2.gz YWFGCVUKEQLHSP-JHJVBQTASA-N 1 0 278.352 2.635 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447516778 241378896 /nfs/dbraw/zinc/37/88/96/241378896.db2.gz HWSHESZZXNRLIC-CYZMBNFOSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@](O)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000447537643 241380899 /nfs/dbraw/zinc/38/08/99/241380899.db2.gz XLJDLOJFZUUUIQ-HOTGVXAUSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCOC1)CCC2 ZINC000447600381 241392658 /nfs/dbraw/zinc/39/26/58/241392658.db2.gz MFJYTPWZBMKBFG-BLLLJJGKSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOCC1CC1 ZINC000449066943 241670693 /nfs/dbraw/zinc/67/06/93/241670693.db2.gz GXHWRSLLPAPLMX-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000449172714 241743938 /nfs/dbraw/zinc/74/39/38/241743938.db2.gz WIWHDPQLIHDTNO-DYEKYZERSA-N 1 0 278.352 2.540 20 5 CFBDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449185961 241752956 /nfs/dbraw/zinc/75/29/56/241752956.db2.gz BMPDYSYQDFYBCU-UONOGXRCSA-N 1 0 294.399 2.986 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCOCC1 ZINC000449115675 241703087 /nfs/dbraw/zinc/70/30/87/241703087.db2.gz MRIYQUXYMPULIS-GFCCVEGCSA-N 1 0 278.352 2.542 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)CC(C)(C)C ZINC000449589789 242053937 /nfs/dbraw/zinc/05/39/37/242053937.db2.gz SZJRKOIZXRWCBD-ZDUSSCGKSA-N 1 0 298.358 2.963 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC1(C)C ZINC000449621695 242069074 /nfs/dbraw/zinc/06/90/74/242069074.db2.gz ACOZLSURTLYQPG-SWLSCSKDSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449764474 242147569 /nfs/dbraw/zinc/14/75/69/242147569.db2.gz BJPUCCXRJCXNGF-JSGCOSHPSA-N 1 0 292.379 2.921 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449779354 242155396 /nfs/dbraw/zinc/15/53/96/242155396.db2.gz TVMQIAQPLLWWAQ-CYBMUJFWSA-N 1 0 278.352 2.843 20 5 CFBDRO CCc1cc(NCc2cc([N+](=O)[O-])ccc2OC)cc[nH+]1 ZINC000450268609 242333757 /nfs/dbraw/zinc/33/37/57/242333757.db2.gz DVHAUVHTCZGDBE-UHFFFAOYSA-N 1 0 287.319 2.595 20 5 CFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452000587 243006963 /nfs/dbraw/zinc/00/69/63/243006963.db2.gz BXQJQAXYJIXGPV-LLVKDONJSA-N 1 0 291.351 2.796 20 5 CFBDRO COC[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000452047214 243023781 /nfs/dbraw/zinc/02/37/81/243023781.db2.gz ZQWVHYDPYHGQAO-NSHDSACASA-N 1 0 282.315 2.735 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452126735 243055716 /nfs/dbraw/zinc/05/57/16/243055716.db2.gz KOPRGQVLLZLVIU-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330589570 203008077 /nfs/dbraw/zinc/00/80/77/203008077.db2.gz PJKUILQYGIWTRF-CMPLNLGQSA-N 1 0 277.324 2.731 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330640771 203068716 /nfs/dbraw/zinc/06/87/16/203068716.db2.gz IBYFSUCWZJHDSV-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330709231 203140368 /nfs/dbraw/zinc/14/03/68/203140368.db2.gz OEJBJNHXYIHXGO-GJZGRUSLSA-N 1 0 292.379 2.824 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330908294 203377763 /nfs/dbraw/zinc/37/77/63/203377763.db2.gz OJUPTKQNOHCPEA-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276332909 193290397 /nfs/dbraw/zinc/29/03/97/193290397.db2.gz RHGSPCULNBRIBB-UHFFFAOYSA-N 1 0 284.331 2.718 20 5 CFBDRO CC(C)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331129171 203561838 /nfs/dbraw/zinc/56/18/38/203561838.db2.gz IOGNTBBZCYJCIL-UHFFFAOYSA-N 1 0 280.372 2.864 20 5 CFBDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000231784137 189815467 /nfs/dbraw/zinc/81/54/67/189815467.db2.gz XGASKUOXEPTDHO-UHFFFAOYSA-N 1 0 285.347 2.556 20 5 CFBDRO Cc1c(C[NH2+]Cc2cnc(C3CC3)nc2)cccc1[N+](=O)[O-] ZINC000459519442 245206655 /nfs/dbraw/zinc/20/66/55/245206655.db2.gz KELMTWKKFVKYLE-UHFFFAOYSA-N 1 0 298.346 2.860 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000459758300 245306814 /nfs/dbraw/zinc/30/68/14/245306814.db2.gz LNJNZQWMOKQCJL-KBPBESRZSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459795897 245333637 /nfs/dbraw/zinc/33/36/37/245333637.db2.gz YCNKAEPQYDUHJC-UGFHNGPFSA-N 1 0 276.336 2.752 20 5 CFBDRO Cc1ccc(NC(=O)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000019474213 372167027 /nfs/dbraw/zinc/16/70/27/372167027.db2.gz HJWYYFUEBYOKBF-UHFFFAOYSA-N 1 0 279.340 2.751 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000020047881 372222547 /nfs/dbraw/zinc/22/25/47/372222547.db2.gz OCLRMWIPXCDSTN-AWEZNQCLSA-N 1 0 291.395 2.949 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020087619 372226281 /nfs/dbraw/zinc/22/62/81/372226281.db2.gz SYBKKYKINPYPQK-MNOVXSKESA-N 1 0 252.314 2.589 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020089772 372228722 /nfs/dbraw/zinc/22/87/22/372228722.db2.gz NHGBBBKABHLWBR-CYBMUJFWSA-N 1 0 279.384 2.896 20 5 CFBDRO C[NH+](C)CCCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000027552120 372343754 /nfs/dbraw/zinc/34/37/54/372343754.db2.gz YRCLBSXRUSAIST-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035084454 372536849 /nfs/dbraw/zinc/53/68/49/372536849.db2.gz TVEFHILSEXVLNG-UHFFFAOYSA-N 1 0 291.273 2.977 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000034995648 372527630 /nfs/dbraw/zinc/52/76/30/372527630.db2.gz PJMPGHOEEGXHQP-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO Cc1c(NC(=O)CCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000037029862 372639660 /nfs/dbraw/zinc/63/96/60/372639660.db2.gz NGDOPDCWXLWIFH-UHFFFAOYSA-N 1 0 279.340 2.751 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037061786 372643385 /nfs/dbraw/zinc/64/33/85/372643385.db2.gz FHCGLOVNKKWYCM-YHWZYXNKSA-N 1 0 275.352 2.940 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037157063 372660010 /nfs/dbraw/zinc/66/00/10/372660010.db2.gz YBNSNECZBFBJTM-NWDGAFQWSA-N 1 0 274.324 2.531 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000037154586 372656771 /nfs/dbraw/zinc/65/67/71/372656771.db2.gz HQBSEMKBUCPPFH-OLZOCXBDSA-N 1 0 288.351 2.839 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738281 372694141 /nfs/dbraw/zinc/69/41/41/372694141.db2.gz YHHVJQBSUKTKJH-SMDDNHRTSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000037775529 372706748 /nfs/dbraw/zinc/70/67/48/372706748.db2.gz VFZBLZMQFGKAJR-KOLCDFICSA-N 1 0 252.339 2.751 20 5 CFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000038013898 372768972 /nfs/dbraw/zinc/76/89/72/372768972.db2.gz BRXBPGBTBOIYGJ-RYUDHWBXSA-N 1 0 293.367 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(F)c2)cc1 ZINC000038079413 372773317 /nfs/dbraw/zinc/77/33/17/372773317.db2.gz UGFSCIYIBSZRFU-UHFFFAOYSA-N 1 0 290.294 2.903 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041119404 372817651 /nfs/dbraw/zinc/81/76/51/372817651.db2.gz AGWBOPBKMBTTQG-OAHLLOKOSA-N 1 0 288.351 2.922 20 5 CFBDRO COC[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000045657274 373025206 /nfs/dbraw/zinc/02/52/06/373025206.db2.gz NVGALRYEXHKZFT-SECBINFHSA-N 1 0 272.732 2.620 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045656819 373025301 /nfs/dbraw/zinc/02/53/01/373025301.db2.gz HJJQOQRUYNEYLG-SMDDNHRTSA-N 1 0 266.341 2.918 20 5 CFBDRO C[NH+](C)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000047452668 373094345 /nfs/dbraw/zinc/09/43/45/373094345.db2.gz INBDJILYRDZMDY-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO CC[C@@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075142 373262072 /nfs/dbraw/zinc/26/20/72/373262072.db2.gz UAWVUNHWBXEADC-CQSZACIVSA-N 1 0 274.324 2.532 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCOC2)c(Cl)c1 ZINC000049963493 373337972 /nfs/dbraw/zinc/33/79/72/373337972.db2.gz QIKOKYKQSSUCSG-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994676 373426015 /nfs/dbraw/zinc/42/60/15/373426015.db2.gz YYDQXUIGHIMDSN-SWHYSGLUSA-N 1 0 264.325 2.549 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000051227622 373388863 /nfs/dbraw/zinc/38/88/63/373388863.db2.gz VGXFGAAFNBSTGV-LLVKDONJSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC000051554889 373396414 /nfs/dbraw/zinc/39/64/14/373396414.db2.gz DFRRGGIGFOQJLD-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000062078320 373746741 /nfs/dbraw/zinc/74/67/41/373746741.db2.gz BTHIUCSEWZAAHQ-KBPBESRZSA-N 1 0 291.395 2.977 20 5 CFBDRO CCCC[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351264 373758225 /nfs/dbraw/zinc/75/82/25/373758225.db2.gz ZDJONNBHBPYLLF-CQSZACIVSA-N 1 0 266.341 2.750 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351215 373758661 /nfs/dbraw/zinc/75/86/61/373758661.db2.gz LSPWCCGWOQFEBH-HIFRSBDPSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)c1 ZINC000337312400 220246745 /nfs/dbraw/zinc/24/67/45/220246745.db2.gz VQAFGCFGTBARED-NWDGAFQWSA-N 1 0 286.278 2.845 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337312401 220246761 /nfs/dbraw/zinc/24/67/61/220246761.db2.gz VQAFGCFGTBARED-RYUDHWBXSA-N 1 0 286.278 2.845 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000070357870 374170477 /nfs/dbraw/zinc/17/04/77/374170477.db2.gz YLGRIGNTTOJTNJ-NTZNESFSSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072876054 374297347 /nfs/dbraw/zinc/29/73/47/374297347.db2.gz OITSMSHJSNGUJV-SNVBAGLBSA-N 1 0 288.307 2.629 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC1 ZINC000075841867 374509288 /nfs/dbraw/zinc/50/92/88/374509288.db2.gz BSJHOJZFMGWMQF-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081519511 374701830 /nfs/dbraw/zinc/70/18/30/374701830.db2.gz XIHSHUUFBVBSJO-ZDUSSCGKSA-N 1 0 278.352 2.762 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451774937 383703261 /nfs/dbraw/zinc/70/32/61/383703261.db2.gz CEYFEHCRARQHTM-CYBMUJFWSA-N 1 0 280.368 2.824 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081571651 374706378 /nfs/dbraw/zinc/70/63/78/374706378.db2.gz PMAIUZUCEPUJGG-OAHLLOKOSA-N 1 0 291.395 2.759 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCOC1 ZINC000084440122 374775923 /nfs/dbraw/zinc/77/59/23/374775923.db2.gz URVKSVFXFYBTFA-LLVKDONJSA-N 1 0 270.716 2.517 20 5 CFBDRO COCCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439845 374776210 /nfs/dbraw/zinc/77/62/10/374776210.db2.gz HOBVIJPDYMETSO-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOC(F)(F)F ZINC000571536975 383704410 /nfs/dbraw/zinc/70/44/10/383704410.db2.gz WSAOQCUBMYNVGW-SNVBAGLBSA-N 1 0 290.241 2.708 20 5 CFBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000090533606 375019856 /nfs/dbraw/zinc/01/98/56/375019856.db2.gz GQNGNSSGQQHNAI-CMPLNLGQSA-N 1 0 288.351 2.908 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093453043 375243595 /nfs/dbraw/zinc/24/35/95/375243595.db2.gz DFIPQBYLHAEDFU-QLFBSQMISA-N 1 0 289.379 2.605 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093505811 375258912 /nfs/dbraw/zinc/25/89/12/375258912.db2.gz VPMYKXXDIAKXQZ-GDBMZVCRSA-N 1 0 290.363 2.904 20 5 CFBDRO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093516240 375261821 /nfs/dbraw/zinc/26/18/21/375261821.db2.gz WNPUEFTYCPTOJS-ZFWWWQNUSA-N 1 0 291.395 2.995 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000094371917 375359132 /nfs/dbraw/zinc/35/91/32/375359132.db2.gz RBRLTDVBOVIQKB-ZDUSSCGKSA-N 1 0 276.336 2.786 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094472681 375362350 /nfs/dbraw/zinc/36/23/50/375362350.db2.gz YPJFWJBRCUNIPY-GXSJLCMTSA-N 1 0 252.339 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]C2)c1 ZINC000094663323 375373745 /nfs/dbraw/zinc/37/37/45/375373745.db2.gz SHHYOORIRGJFRJ-GFCCVEGCSA-N 1 0 263.341 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000102409720 375672909 /nfs/dbraw/zinc/67/29/09/375672909.db2.gz ZICWTQKCRFSKGU-OAHLLOKOSA-N 1 0 286.335 2.628 20 5 CFBDRO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000507175084 247166134 /nfs/dbraw/zinc/16/61/34/247166134.db2.gz UQLFPEWDRIOEFI-XQRVVYSFSA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1cc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000507223234 247170107 /nfs/dbraw/zinc/17/01/07/247170107.db2.gz YUGBUQHHSLLJDL-NSHDSACASA-N 1 0 275.308 2.785 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(CO)CCCC1 ZINC000111334120 375838124 /nfs/dbraw/zinc/83/81/24/375838124.db2.gz DOPXRAQRDJOEAT-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO COCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000112352458 375910750 /nfs/dbraw/zinc/91/07/50/375910750.db2.gz SOSJQONKHHHYRN-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079873 375883530 /nfs/dbraw/zinc/88/35/30/375883530.db2.gz LPSVGCNARCOXRB-UHFFFAOYSA-N 1 0 288.351 2.943 20 5 CFBDRO CCC[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000112409688 375918222 /nfs/dbraw/zinc/91/82/22/375918222.db2.gz AZZGHIFGBOOJNO-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278030220 193820463 /nfs/dbraw/zinc/82/04/63/193820463.db2.gz WXRXYTHAKGUSMN-TVQRCGJNSA-N 1 0 284.743 2.763 20 5 CFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118842507 376320306 /nfs/dbraw/zinc/32/03/06/376320306.db2.gz GKYCXYICIJBVAK-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO C[C@@H]1SCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415052 376295657 /nfs/dbraw/zinc/29/56/57/376295657.db2.gz JXKZVLRJUIPPHT-RYUDHWBXSA-N 1 0 280.393 2.963 20 5 CFBDRO C[C@@H]1SCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000118414583 376295851 /nfs/dbraw/zinc/29/58/51/376295851.db2.gz UZVLXEGGDMEVBV-QWRGUYRKSA-N 1 0 266.366 2.921 20 5 CFBDRO C[C@H](c1ccco1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000119162365 376364741 /nfs/dbraw/zinc/36/47/41/376364741.db2.gz MZIHBMCHRSEOCK-LLVKDONJSA-N 1 0 290.323 2.610 20 5 CFBDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000119640753 376446398 /nfs/dbraw/zinc/44/63/98/376446398.db2.gz QPIGKKNUQPHWJO-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000120231921 376575954 /nfs/dbraw/zinc/57/59/54/376575954.db2.gz NCHNYHCXLKAQCF-CQSZACIVSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000120807600 376697430 /nfs/dbraw/zinc/69/74/30/376697430.db2.gz CTJDNXSFVLZQSE-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000124021152 377007330 /nfs/dbraw/zinc/00/73/30/377007330.db2.gz JFEXECPEZROADI-CYBMUJFWSA-N 1 0 286.397 2.933 20 5 CFBDRO COC[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265844268 190212268 /nfs/dbraw/zinc/21/22/68/190212268.db2.gz XLZIDBJYKPTMBQ-RYUDHWBXSA-N 1 0 264.325 2.624 20 5 CFBDRO COc1cccc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000134909425 378061894 /nfs/dbraw/zinc/06/18/94/378061894.db2.gz BIEDZQYTXFLHOO-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO CCOc1cccc(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000134913892 378062052 /nfs/dbraw/zinc/06/20/52/378062052.db2.gz FWMFKLVJAXWRDY-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCCCO)C1CC1 ZINC000152546394 378427963 /nfs/dbraw/zinc/42/79/63/378427963.db2.gz XKLRDTXWCVDBMJ-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)[C@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000330497292 378572018 /nfs/dbraw/zinc/57/20/18/378572018.db2.gz XKQOXYLSRWKWDG-DOMZBBRYSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200913 378648982 /nfs/dbraw/zinc/64/89/82/378648982.db2.gz VIBPWTIPVDDWLS-TZMCWYRMSA-N 1 0 278.352 2.578 20 5 CFBDRO CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000161860814 378876686 /nfs/dbraw/zinc/87/66/86/378876686.db2.gz ZQXAZVQOCMTDJM-CQSZACIVSA-N 1 0 293.367 2.504 20 5 CFBDRO Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000162724238 378927931 /nfs/dbraw/zinc/92/79/31/378927931.db2.gz AUZATRIYMKQFFP-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000163491680 378976955 /nfs/dbraw/zinc/97/69/55/378976955.db2.gz YHJNLGRDAZQMOW-UHBVIIIMSA-N 1 0 298.408 2.793 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000165261316 379034833 /nfs/dbraw/zinc/03/48/33/379034833.db2.gz YDTQRCDTWANFJR-ZLDLUXBVSA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278689739 194104570 /nfs/dbraw/zinc/10/45/70/194104570.db2.gz MTVMFLCRHWIWLQ-ZJUUUORDSA-N 1 0 274.324 2.749 20 5 CFBDRO CCSCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000167308171 379070897 /nfs/dbraw/zinc/07/08/97/379070897.db2.gz SBSLNNRDFIHJQF-UHFFFAOYSA-N 1 0 254.355 2.828 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000169045091 379104089 /nfs/dbraw/zinc/10/40/89/379104089.db2.gz DSCCFAYQKVYXSL-NWDGAFQWSA-N 1 0 279.315 2.773 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000170770673 379153052 /nfs/dbraw/zinc/15/30/52/379153052.db2.gz SNKZXRDNIJAICU-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CC1 ZINC000170909038 379189944 /nfs/dbraw/zinc/18/99/44/379189944.db2.gz NMFKQTPIWRHPIU-UHFFFAOYSA-N 1 0 264.325 2.976 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856271 194185080 /nfs/dbraw/zinc/18/50/80/194185080.db2.gz VYXAUXOPFJWCDJ-ABAIWWIYSA-N 1 0 278.352 2.580 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128573 379238622 /nfs/dbraw/zinc/23/86/22/379238622.db2.gz VFCTZBBNNWMMNX-MNOVXSKESA-N 1 0 294.351 2.986 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCCCO ZINC000278936253 194220714 /nfs/dbraw/zinc/22/07/14/194220714.db2.gz TYVRIYSXUWSYBM-LBPRGKRZSA-N 1 0 266.341 2.750 20 5 CFBDRO Cc1ccnc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000172277760 379529997 /nfs/dbraw/zinc/52/99/97/379529997.db2.gz YXJJYIIPBMOHEE-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279004774 194247423 /nfs/dbraw/zinc/24/74/23/194247423.db2.gz GGEXBMIJLZJJAB-XHDPSFHLSA-N 1 0 292.379 2.925 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000174858346 379951248 /nfs/dbraw/zinc/95/12/48/379951248.db2.gz OWEJNFZDDFEKNA-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246103 380201277 /nfs/dbraw/zinc/20/12/77/380201277.db2.gz DAJGJQLBTZYGOR-CYBMUJFWSA-N 1 0 280.372 2.549 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000177898539 380391282 /nfs/dbraw/zinc/39/12/82/380391282.db2.gz CCWAIAIAWPFFNI-NWDGAFQWSA-N 1 0 264.325 2.704 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000177908261 380393047 /nfs/dbraw/zinc/39/30/47/380393047.db2.gz QSTVUNCGAJUJCI-NWDGAFQWSA-N 1 0 264.325 2.704 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178205742 380421038 /nfs/dbraw/zinc/42/10/38/380421038.db2.gz BZCVOYCRLYIDJR-GHMZBOCLSA-N 1 0 279.340 2.558 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178639796 380473258 /nfs/dbraw/zinc/47/32/58/380473258.db2.gz ILAMQVSFIQTFOQ-LLVKDONJSA-N 1 0 299.330 2.545 20 5 CFBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000179395016 380540118 /nfs/dbraw/zinc/54/01/18/380540118.db2.gz HMHWXKIOJPIKMA-WXJAXGNASA-N 1 0 276.336 2.719 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000336792092 380639243 /nfs/dbraw/zinc/63/92/43/380639243.db2.gz QMOQJGWIJAUCAH-SECBINFHSA-N 1 0 271.748 2.858 20 5 CFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000336806177 380663255 /nfs/dbraw/zinc/66/32/55/380663255.db2.gz JZEXEQRXRZAWTH-WDMOLILDSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000572034463 383748515 /nfs/dbraw/zinc/74/85/15/383748515.db2.gz UGCFMDFGECOQKB-AWEZNQCLSA-N 1 0 283.331 2.979 20 5 CFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C)cc1 ZINC000181676931 380862651 /nfs/dbraw/zinc/86/26/51/380862651.db2.gz UQUVQYYEOPAZNR-AWEZNQCLSA-N 1 0 288.351 2.841 20 5 CFBDRO C[C@]1(F)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295521443 380913738 /nfs/dbraw/zinc/91/37/38/380913738.db2.gz URJQXUAYSDWPCQ-AWEZNQCLSA-N 1 0 266.316 2.961 20 5 CFBDRO CC1(C)CC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000408335489 380921990 /nfs/dbraw/zinc/92/19/90/380921990.db2.gz VKCHZIQPEHHPSW-HNNXBMFYSA-N 1 0 290.363 2.911 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000295619984 380978906 /nfs/dbraw/zinc/97/89/06/380978906.db2.gz ZBMZDHZMZLJRAU-AWEZNQCLSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC23CCCCCC3)n1 ZINC000368401566 381014456 /nfs/dbraw/zinc/01/44/56/381014456.db2.gz DNUQVJSNJCTYPY-UHFFFAOYSA-N 1 0 292.383 2.980 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000279292071 194370703 /nfs/dbraw/zinc/37/07/03/194370703.db2.gz PKKRJKMRDBHMCL-VXGBXAGGSA-N 1 0 264.325 2.752 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000358656713 380995161 /nfs/dbraw/zinc/99/51/61/380995161.db2.gz CABNJBIYLUXYEF-UHFFFAOYSA-N 1 0 263.341 2.517 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000279319651 194383640 /nfs/dbraw/zinc/38/36/40/194383640.db2.gz SEBMUXVBGQYSJE-GXTWGEPZSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CCO2)CC1 ZINC000368518988 381054305 /nfs/dbraw/zinc/05/43/05/381054305.db2.gz OCNLIVNTVWUXOB-HWKANZROSA-N 1 0 288.347 2.863 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368524822 381055751 /nfs/dbraw/zinc/05/57/51/381055751.db2.gz CAJXUSIXGMFVPY-YDBFETGOSA-N 1 0 288.347 2.719 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000354077896 381062435 /nfs/dbraw/zinc/06/24/35/381062435.db2.gz JYMOGVAGYCUFKJ-VXGBXAGGSA-N 1 0 282.365 2.515 20 5 CFBDRO CCC1(CC)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295810786 381090482 /nfs/dbraw/zinc/09/04/82/381090482.db2.gz BODTUSPQGGTYTR-AWEZNQCLSA-N 1 0 278.352 2.750 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCOC1 ZINC000347376086 381109173 /nfs/dbraw/zinc/10/91/73/381109173.db2.gz ZHBLPPRFIGECBV-INDWDQIESA-N 1 0 276.336 2.719 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC[C@@H](C)O ZINC000347383685 381112703 /nfs/dbraw/zinc/11/27/03/381112703.db2.gz YSZPGPNVAYWOBM-CNELAYHGSA-N 1 0 278.352 2.701 20 5 CFBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077334 381147041 /nfs/dbraw/zinc/14/70/41/381147041.db2.gz JWKJJVNUZRBHRI-CMPLNLGQSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000368756713 381125159 /nfs/dbraw/zinc/12/51/59/381125159.db2.gz VIGYCUBEEDKZQK-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1(C)C ZINC000295952847 381178362 /nfs/dbraw/zinc/17/83/62/381178362.db2.gz JKMNZMFBDZLNCW-AWEZNQCLSA-N 1 0 296.342 2.981 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341870524 381197801 /nfs/dbraw/zinc/19/78/01/381197801.db2.gz DPHJIMMKRMBORH-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2cccs2)C2CC2)n1 ZINC000347522542 381199950 /nfs/dbraw/zinc/19/99/50/381199950.db2.gz BUAUZLFHLQUGAS-CYBMUJFWSA-N 1 0 292.364 2.594 20 5 CFBDRO COc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000295991023 381201093 /nfs/dbraw/zinc/20/10/93/381201093.db2.gz LXDFNGCFDHUDEK-YOGCLGLASA-N 1 0 291.351 2.641 20 5 CFBDRO CC[NH+]1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359086566 381256748 /nfs/dbraw/zinc/25/67/48/381256748.db2.gz VNOUJNSYBUFZGQ-UHFFFAOYSA-N 1 0 278.356 2.503 20 5 CFBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000347617263 381259941 /nfs/dbraw/zinc/25/99/41/381259941.db2.gz NSXBVTJJXBQJSJ-NEPJUHHUSA-N 1 0 294.399 2.975 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000359099104 381263545 /nfs/dbraw/zinc/26/35/45/381263545.db2.gz OAASGUOUEPYALT-QWHCGFSZSA-N 1 0 292.383 2.526 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc([N+](=O)[O-])cc1 ZINC000296125320 381266916 /nfs/dbraw/zinc/26/69/16/381266916.db2.gz UBJOLRCFGVLCQZ-FZMZJTMJSA-N 1 0 262.309 2.938 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000369464656 381267852 /nfs/dbraw/zinc/26/78/52/381267852.db2.gz FXWQRJPDYQTJPT-GJZGRUSLSA-N 1 0 276.336 2.738 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279402816 194418519 /nfs/dbraw/zinc/41/85/19/194418519.db2.gz ZRYJMKVRXFIWOM-SUNKGSAMSA-N 1 0 291.351 2.700 20 5 CFBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359048291 381235621 /nfs/dbraw/zinc/23/56/21/381235621.db2.gz AGQWXLOXIWCJRQ-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCOC1 ZINC000342284725 381246683 /nfs/dbraw/zinc/24/66/83/381246683.db2.gz FRMWJUVCYQWSON-BCNIOPEESA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000354459160 381284864 /nfs/dbraw/zinc/28/48/64/381284864.db2.gz YWIQJBZRQWVJOR-RTIZMKJZSA-N 1 0 289.379 2.632 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000342420140 381323478 /nfs/dbraw/zinc/32/34/78/381323478.db2.gz QDJVATAFTZXGFY-ZDUSSCGKSA-N 1 0 279.384 2.805 20 5 CFBDRO CC[NH+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000347707638 381307118 /nfs/dbraw/zinc/30/71/18/381307118.db2.gz QVONQDDYTFAXIT-CHWSQXEVSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[NH+](CC)CCOCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000347860059 381385415 /nfs/dbraw/zinc/38/54/15/381385415.db2.gz ROHVQZNGMYJZQO-UHFFFAOYSA-N 1 0 295.383 2.674 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296454852 381402833 /nfs/dbraw/zinc/40/28/33/381402833.db2.gz MYEFSYAKZXBIIK-PGUXBMHVSA-N 1 0 295.383 2.889 20 5 CFBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000355031870 381574703 /nfs/dbraw/zinc/57/47/03/381574703.db2.gz BODDCTPHBOUUSA-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO CC(=O)c1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000342837387 381577071 /nfs/dbraw/zinc/57/70/71/381577071.db2.gz XOSJRZKLDYORCC-QMTHXVAHSA-N 1 0 291.351 2.692 20 5 CFBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371151115 381556553 /nfs/dbraw/zinc/55/65/53/381556553.db2.gz KRUVQNNSFJEVCU-NNQSOWQGSA-N 1 0 294.326 2.612 20 5 CFBDRO COc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000342856834 381588731 /nfs/dbraw/zinc/58/87/31/381588731.db2.gz IGQPEVUPTWGRHI-UHFFFAOYSA-N 1 0 287.319 2.630 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355120290 381625168 /nfs/dbraw/zinc/62/51/68/381625168.db2.gz YFTZUSBREIKNPS-GJZGRUSLSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1cc(NCC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359845541 381637842 /nfs/dbraw/zinc/63/78/42/381637842.db2.gz UQMNZLRVNWKHMB-UHFFFAOYSA-N 1 0 291.273 2.896 20 5 CFBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359907577 381670255 /nfs/dbraw/zinc/67/02/55/381670255.db2.gz GEEJBUFUYBSHIT-CQSZACIVSA-N 1 0 281.331 2.794 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)OC ZINC000291202828 381706115 /nfs/dbraw/zinc/70/61/15/381706115.db2.gz JXZAYKPDEIWAHV-SNVBAGLBSA-N 1 0 270.304 2.591 20 5 CFBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415050403 381736357 /nfs/dbraw/zinc/73/63/57/381736357.db2.gz CIIHCAXGJPEMLR-LBPRGKRZSA-N 1 0 285.775 2.711 20 5 CFBDRO CC(C)(C)[C@@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000415051425 381736387 /nfs/dbraw/zinc/73/63/87/381736387.db2.gz JSMOFJSKHNMAKV-IZPAUZPXSA-N 1 0 277.368 2.571 20 5 CFBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754301 381737538 /nfs/dbraw/zinc/73/75/38/381737538.db2.gz NQXYOAVPVWNRQG-JSGCOSHPSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@@H]1[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343481467 381743222 /nfs/dbraw/zinc/74/32/22/381743222.db2.gz SSBYRXVMDSLUSS-PRHODGIISA-N 1 0 285.294 2.768 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185826712 381746769 /nfs/dbraw/zinc/74/67/69/381746769.db2.gz QGYSAROHUZHQIX-VUDBWIFFSA-N 1 0 284.743 2.665 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000372096700 381749431 /nfs/dbraw/zinc/74/94/31/381749431.db2.gz UELIZNSSSKDUFR-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000372093293 381749878 /nfs/dbraw/zinc/74/98/78/381749878.db2.gz CXJXUJXUOMXYNP-LLVKDONJSA-N 1 0 284.381 2.905 20 5 CFBDRO Cc1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415066347 381752056 /nfs/dbraw/zinc/75/20/56/381752056.db2.gz OKMPIUYZCITXSG-CQSZACIVSA-N 1 0 277.368 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C4CC4)C3)nc2c1 ZINC000372337200 381793200 /nfs/dbraw/zinc/79/32/00/381793200.db2.gz BOQQSNYEKRHCSO-LLVKDONJSA-N 1 0 287.319 2.968 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000355693413 381795356 /nfs/dbraw/zinc/79/53/56/381795356.db2.gz XAKXACWRYOOXJM-CQSZACIVSA-N 1 0 264.325 2.594 20 5 CFBDRO [NH3+]CCN(C[C@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000348907668 381763202 /nfs/dbraw/zinc/76/32/02/381763202.db2.gz YBWRSJXIVGOOAU-ZDUSSCGKSA-N 1 0 275.352 2.716 20 5 CFBDRO [NH3+]CCN(Cc1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000348937331 381773042 /nfs/dbraw/zinc/77/30/42/381773042.db2.gz VVXOBGXIARICSQ-UHFFFAOYSA-N 1 0 277.349 2.622 20 5 CFBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000291849687 381777886 /nfs/dbraw/zinc/77/78/86/381777886.db2.gz OYRVFPJRTISUOP-OAHLLOKOSA-N 1 0 278.352 2.637 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343606268 381836710 /nfs/dbraw/zinc/83/67/10/381836710.db2.gz PBHFFVIOTJTFLT-RISCZKNCSA-N 1 0 293.367 2.636 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000292886206 381883852 /nfs/dbraw/zinc/88/38/52/381883852.db2.gz COONCAHNRBKMNI-CYBMUJFWSA-N 1 0 284.743 2.763 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000349206427 381847530 /nfs/dbraw/zinc/84/75/30/381847530.db2.gz BJVNOAISUDIZLB-DGCLKSJQSA-N 1 0 296.367 2.661 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292924353 381905894 /nfs/dbraw/zinc/90/58/94/381905894.db2.gz YSYIYPAFTBQLPP-OAHLLOKOSA-N 1 0 293.342 2.656 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292928647 381908073 /nfs/dbraw/zinc/90/80/73/381908073.db2.gz ZBZTVLXHJBDGPD-HNNXBMFYSA-N 1 0 293.342 2.656 20 5 CFBDRO COC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000292933666 381909203 /nfs/dbraw/zinc/90/92/03/381909203.db2.gz JDZHJPXRWFPCDY-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186499811 381928206 /nfs/dbraw/zinc/92/82/06/381928206.db2.gz DIOLEJPDIXIKLT-JUGZCIIYSA-N 1 0 278.352 2.881 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000343811750 381956901 /nfs/dbraw/zinc/95/69/01/381956901.db2.gz UWMYKAGALVXWDB-QMMMGPOBSA-N 1 0 289.282 2.558 20 5 CFBDRO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000299496921 381962607 /nfs/dbraw/zinc/96/26/07/381962607.db2.gz HBOUZMGVMOWAOF-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373286628 381970892 /nfs/dbraw/zinc/97/08/92/381970892.db2.gz GMIYUAXYAUCZIX-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293017549 381950694 /nfs/dbraw/zinc/95/06/94/381950694.db2.gz OOUIXKKPCGOZRH-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343984249 382047767 /nfs/dbraw/zinc/04/77/67/382047767.db2.gz UTHROUSQLWGUPZ-NEPJUHHUSA-N 1 0 286.335 2.667 20 5 CFBDRO Cc1c([C@@H](C)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282474 382062888 /nfs/dbraw/zinc/06/28/88/382062888.db2.gz CWDCFQCRMYEDRN-WCQYABFASA-N 1 0 279.384 2.752 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000186793759 382016890 /nfs/dbraw/zinc/01/68/90/382016890.db2.gz YYDQXUIGHIMDSN-ZLKJLUDKSA-N 1 0 264.325 2.549 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000299678613 382024878 /nfs/dbraw/zinc/02/48/78/382024878.db2.gz UUNOIRSAWUPSSP-LLVKDONJSA-N 1 0 291.351 2.574 20 5 CFBDRO CCC[C@H]([NH2+]CC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000186822707 382024980 /nfs/dbraw/zinc/02/49/80/382024980.db2.gz GJXFBTVSNFSPFZ-AWEZNQCLSA-N 1 0 293.367 2.504 20 5 CFBDRO C[C@H](O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317160 382038926 /nfs/dbraw/zinc/03/89/26/382038926.db2.gz VVKAXELQHSQULJ-XHDPSFHLSA-N 1 0 278.352 2.723 20 5 CFBDRO Cc1cc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301207304 382105258 /nfs/dbraw/zinc/10/52/58/382105258.db2.gz SDNDICFQIWBUEB-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000301210699 382106918 /nfs/dbraw/zinc/10/69/18/382106918.db2.gz WJWHJTNCEBHRLP-GFCCVEGCSA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1ccnc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301265825 382128207 /nfs/dbraw/zinc/12/82/07/382128207.db2.gz GMCWOJKMBBMVTD-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000357340599 382119539 /nfs/dbraw/zinc/11/95/39/382119539.db2.gz FEOHWEVCVFVHME-NFBGWVBBSA-N 1 0 276.336 2.767 20 5 CFBDRO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351938523 382079757 /nfs/dbraw/zinc/07/97/57/382079757.db2.gz WLTOXWYLBCEFON-QWRGUYRKSA-N 1 0 296.392 2.929 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000351942427 382081889 /nfs/dbraw/zinc/08/18/89/382081889.db2.gz GJEWOALCNLPISM-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000301561552 382176432 /nfs/dbraw/zinc/17/64/32/382176432.db2.gz UVAFAJDYYVYOCX-CQSZACIVSA-N 1 0 263.341 2.881 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000376405327 382134614 /nfs/dbraw/zinc/13/46/14/382134614.db2.gz DPXKFMCDUJWBHK-OAHLLOKOSA-N 1 0 298.346 2.776 20 5 CFBDRO C[C@@H]1C[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139117 382153448 /nfs/dbraw/zinc/15/34/48/382153448.db2.gz YASWFVQGXONHPX-MNOVXSKESA-N 1 0 298.770 2.841 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293525835 382158965 /nfs/dbraw/zinc/15/89/65/382158965.db2.gz WNAKWAXLPYHCRT-ZYHUDNBSSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301394600 382166442 /nfs/dbraw/zinc/16/64/42/382166442.db2.gz KNNDQPOQCIQDTK-LBPRGKRZSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344224255 382210116 /nfs/dbraw/zinc/21/01/16/382210116.db2.gz UAWLVWONLXGCKP-NSHDSACASA-N 1 0 294.351 2.805 20 5 CFBDRO CC(C)N(CC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000302217074 382218266 /nfs/dbraw/zinc/21/82/66/382218266.db2.gz JHKKEVVFSJYHSG-UHFFFAOYSA-N 1 0 269.320 2.510 20 5 CFBDRO CCOCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357549019 382220382 /nfs/dbraw/zinc/22/03/82/382220382.db2.gz CTQGXUNDGLNXHX-LLVKDONJSA-N 1 0 252.314 2.624 20 5 CFBDRO C[C@@H]([NH2+]CCc1nccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293666080 382224098 /nfs/dbraw/zinc/22/40/98/382224098.db2.gz JLUGYNHHIWUWHZ-SECBINFHSA-N 1 0 292.364 2.527 20 5 CFBDRO CN(CC[NH+](C)C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302238879 382226636 /nfs/dbraw/zinc/22/66/36/382226636.db2.gz AFHATFQDJQXELQ-UHFFFAOYSA-N 1 0 292.166 2.899 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792152 382282248 /nfs/dbraw/zinc/28/22/48/382282248.db2.gz QPXIVJMAORAZMD-MEBBXXQBSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCCC[C@@H]1C ZINC000357699701 382284599 /nfs/dbraw/zinc/28/45/99/382284599.db2.gz VCVMYVBXAYTRJQ-NWDGAFQWSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H](F)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000352360546 382288841 /nfs/dbraw/zinc/28/88/41/382288841.db2.gz GCOAHNMSDARLHB-NSHDSACASA-N 1 0 254.305 2.817 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000187674077 382242966 /nfs/dbraw/zinc/24/29/66/382242966.db2.gz SACGKGWKCROSMR-UGFHNGPFSA-N 1 0 292.379 2.665 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975638 382313041 /nfs/dbraw/zinc/31/30/41/382313041.db2.gz CDDFJQVFYHWNGE-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346199428 382335908 /nfs/dbraw/zinc/33/59/08/382335908.db2.gz VRFKTNVCAKDOSS-QWHCGFSZSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)[C@H]1C ZINC000419353598 382295429 /nfs/dbraw/zinc/29/54/29/382295429.db2.gz LLXLUMGIHCZXSE-VWYCJHECSA-N 1 0 288.351 2.947 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925671 382300157 /nfs/dbraw/zinc/30/01/57/382300157.db2.gz PFXLTWWJRRRVBL-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO CC(C)c1ccc(C[NH2+]Cc2cncn2C)cc1[N+](=O)[O-] ZINC000352473313 382352042 /nfs/dbraw/zinc/35/20/42/382352042.db2.gz SGHWEBLQNPFHOY-UHFFFAOYSA-N 1 0 288.351 2.742 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000304218442 382379418 /nfs/dbraw/zinc/37/94/18/382379418.db2.gz HRTMRFGIXACTLF-LGVMCUBASA-N 1 0 276.336 2.501 20 5 CFBDRO [NH3+]CC[C@@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352526636 382380851 /nfs/dbraw/zinc/38/08/51/382380851.db2.gz QAYGPIZLMKFLLN-PKYBCLHXSA-N 1 0 289.379 2.811 20 5 CFBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420359804 382381935 /nfs/dbraw/zinc/38/19/35/382381935.db2.gz KMAQOLLWURJALL-ZDUSSCGKSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000420361108 382384040 /nfs/dbraw/zinc/38/40/40/382384040.db2.gz HTDBPDQKKXERES-NWJSVONSSA-N 1 0 277.368 2.632 20 5 CFBDRO CO[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000188295991 382386120 /nfs/dbraw/zinc/38/61/20/382386120.db2.gz UXKFPZITMQILRS-IUODEOHRSA-N 1 0 278.352 2.760 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798182 382347606 /nfs/dbraw/zinc/34/76/06/382347606.db2.gz FHBVZXLJMNKKRE-CMPLNLGQSA-N 1 0 286.335 2.526 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188114758 382348632 /nfs/dbraw/zinc/34/86/32/382348632.db2.gz ZUNGKXGGRCORDD-NFAWXSAZSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000294149771 382434541 /nfs/dbraw/zinc/43/45/41/382434541.db2.gz HJOQWHSPVOZGBJ-SMDDNHRTSA-N 1 0 266.341 2.746 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000352659568 382436924 /nfs/dbraw/zinc/43/69/24/382436924.db2.gz OALJUEYTPUGROS-DGCLKSJQSA-N 1 0 284.743 2.593 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000420903779 382493431 /nfs/dbraw/zinc/49/34/31/382493431.db2.gz OVUYOFIFYQKBDR-OTVXOJSOSA-N 1 0 278.352 2.576 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000188862871 382493492 /nfs/dbraw/zinc/49/34/92/382493492.db2.gz CVRMYXUWASKIKG-CQSZACIVSA-N 1 0 266.341 2.746 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNC1CC([NH+]2CCCCC2)C1 ZINC000366264470 382494904 /nfs/dbraw/zinc/49/49/04/382494904.db2.gz DPQUOMZZGBMBCW-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000308381981 382474561 /nfs/dbraw/zinc/47/45/61/382474561.db2.gz XFCVLBYEDZMYRI-GJZGRUSLSA-N 1 0 290.363 2.950 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000308669327 382484000 /nfs/dbraw/zinc/48/40/00/382484000.db2.gz WMNKUIKHCXZLHE-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294292578 382497749 /nfs/dbraw/zinc/49/77/49/382497749.db2.gz MVAIUBDAQVZHQP-QWRGUYRKSA-N 1 0 295.408 2.971 20 5 CFBDRO CC(C)[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161003 382504729 /nfs/dbraw/zinc/50/47/29/382504729.db2.gz ASLJMOODGGYWHR-GMNBZTITSA-N 1 0 290.363 2.965 20 5 CFBDRO CS[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294951789 382547149 /nfs/dbraw/zinc/54/71/49/382547149.db2.gz DCVILQVPDDUZHK-LBPRGKRZSA-N 1 0 252.339 2.532 20 5 CFBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000189074932 382536851 /nfs/dbraw/zinc/53/68/51/382536851.db2.gz UOEREKSZKMLQIF-OAHLLOKOSA-N 1 0 289.379 2.968 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000189293701 382584679 /nfs/dbraw/zinc/58/46/79/382584679.db2.gz KQDLEPQEQQLXAH-YDHLFZDLSA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000394058540 382625690 /nfs/dbraw/zinc/62/56/90/382625690.db2.gz DTEHPWHHXZGANG-AAEUAGOBSA-N 1 0 266.341 2.510 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000353755930 382627422 /nfs/dbraw/zinc/62/74/22/382627422.db2.gz TUSBMWHUSFRPDJ-DGCLKSJQSA-N 1 0 297.424 2.961 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833531 382642269 /nfs/dbraw/zinc/64/22/69/382642269.db2.gz VEUFLHGEWRXDRL-KWQFWETISA-N 1 0 292.257 2.559 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189937530 382645991 /nfs/dbraw/zinc/64/59/91/382645991.db2.gz LLDQKTFLFMKGGR-YFOKADDASA-N 1 0 290.363 2.749 20 5 CFBDRO CCOc1cc(N(CC)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000190290678 382660638 /nfs/dbraw/zinc/66/06/38/382660638.db2.gz DHGSPLBCAVYSSV-UHFFFAOYSA-N 1 0 295.383 2.772 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191011798 382688311 /nfs/dbraw/zinc/68/83/11/382688311.db2.gz AIDFBNQURPNFPU-WHWKNOJMSA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1c(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000191274651 382697377 /nfs/dbraw/zinc/69/73/77/382697377.db2.gz NRYXVYJKWNUNBO-QWRGUYRKSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191643597 382701763 /nfs/dbraw/zinc/70/17/63/382701763.db2.gz FMXGAEYLJRAIAQ-TUAOUCFPSA-N 1 0 266.341 2.977 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CCCCCO)cc1[N+](=O)[O-] ZINC000192927990 382713702 /nfs/dbraw/zinc/71/37/02/382713702.db2.gz ZVLLUMVKCWSEHD-LBPRGKRZSA-N 1 0 296.367 2.807 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964812 382714068 /nfs/dbraw/zinc/71/40/68/382714068.db2.gz LVDCBGRENWTVRE-UKRRQHHQSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193474743 382720157 /nfs/dbraw/zinc/72/01/57/382720157.db2.gz UAXNSFWZNULFBO-GFCCVEGCSA-N 1 0 292.383 2.567 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000336828904 382725611 /nfs/dbraw/zinc/72/56/11/382725611.db2.gz DYDYSFYPUYJTNW-UONOGXRCSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[NH+](CC)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214726307 382777078 /nfs/dbraw/zinc/77/70/78/382777078.db2.gz DMIZSGBKIOYVJV-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCSC1 ZINC000337254886 382786755 /nfs/dbraw/zinc/78/67/55/382786755.db2.gz RDBFSCUEBATNIY-CQSZACIVSA-N 1 0 295.408 2.752 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000337254885 382786781 /nfs/dbraw/zinc/78/67/81/382786781.db2.gz RDBFSCUEBATNIY-AWEZNQCLSA-N 1 0 295.408 2.752 20 5 CFBDRO C[C@@H](CC[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000194514223 382746934 /nfs/dbraw/zinc/74/69/34/382746934.db2.gz VSLONZWZMAADCS-ZDUSSCGKSA-N 1 0 288.351 2.575 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219195103 382792354 /nfs/dbraw/zinc/79/23/54/382792354.db2.gz VBOZBCLXMGQULK-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337050464 382756068 /nfs/dbraw/zinc/75/60/68/382756068.db2.gz RFCLHNZIEGXWKZ-ZDUSSCGKSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1ccc(C[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000221385491 382798086 /nfs/dbraw/zinc/79/80/86/382798086.db2.gz FCKBAHXWZYCYSL-UHFFFAOYSA-N 1 0 280.368 2.792 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000224202588 382809468 /nfs/dbraw/zinc/80/94/68/382809468.db2.gz BDTFDIZHQQKTRL-JSGCOSHPSA-N 1 0 280.368 2.961 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000576324978 382818606 /nfs/dbraw/zinc/81/86/06/382818606.db2.gz FRJYRZJEBWJKDR-UHFFFAOYSA-N 1 0 276.336 2.896 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000226386922 382827539 /nfs/dbraw/zinc/82/75/39/382827539.db2.gz DDZZOFRPQOMNCJ-WDEREUQCSA-N 1 0 266.366 2.999 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000337486930 382829797 /nfs/dbraw/zinc/82/97/97/382829797.db2.gz ZONFQFOGIIXQPW-CYBMUJFWSA-N 1 0 291.351 2.654 20 5 CFBDRO CCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000226784712 382831371 /nfs/dbraw/zinc/83/13/71/382831371.db2.gz QEXBCGQZJRLUFE-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCSC1 ZINC000576697448 382832297 /nfs/dbraw/zinc/83/22/97/382832297.db2.gz ZRTZFXKGJNYXJQ-KTLBGCOUSA-N 1 0 278.377 2.951 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227651102 382838798 /nfs/dbraw/zinc/83/87/98/382838798.db2.gz HVJUAFKVVQOECA-VIFPVBQESA-N 1 0 286.763 2.785 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227649249 382839016 /nfs/dbraw/zinc/83/90/16/382839016.db2.gz ZODGXKOJDYTCPO-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO C[N@@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227890081 382841907 /nfs/dbraw/zinc/84/19/07/382841907.db2.gz GANBEMFEMQIIKV-SECBINFHSA-N 1 0 285.294 2.627 20 5 CFBDRO C[C@@H](NC(=O)CCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000578253240 382905811 /nfs/dbraw/zinc/90/58/11/382905811.db2.gz OQRDZHWFCFLCFO-GFCCVEGCSA-N 1 0 293.367 2.504 20 5 CFBDRO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000441343661 382908826 /nfs/dbraw/zinc/90/88/26/382908826.db2.gz WJXFGGDKQKWRIY-WCQYABFASA-N 1 0 294.351 2.603 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142899 382856095 /nfs/dbraw/zinc/85/60/95/382856095.db2.gz FKTXUSULWYMCDA-ZDUSSCGKSA-N 1 0 286.759 2.889 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000441345255 382909090 /nfs/dbraw/zinc/90/90/90/382909090.db2.gz GLQOOTRGLZPIJY-RISCZKNCSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000230348801 382859455 /nfs/dbraw/zinc/85/94/55/382859455.db2.gz LCHCJZRXPPMOLW-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000230379776 382860973 /nfs/dbraw/zinc/86/09/73/382860973.db2.gz VWDVSDNLCCGFAT-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578174780 382895886 /nfs/dbraw/zinc/89/58/86/382895886.db2.gz LKIDHEXLHJUFCU-NWDGAFQWSA-N 1 0 288.351 2.995 20 5 CFBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000441220661 382900859 /nfs/dbraw/zinc/90/08/59/382900859.db2.gz CYLHSTBBXQMDEB-LBPRGKRZSA-N 1 0 296.367 2.959 20 5 CFBDRO CC[NH+]1CCC(CNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000578786686 382955608 /nfs/dbraw/zinc/95/56/08/382955608.db2.gz RHQIESADJITTGG-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441384248 382912899 /nfs/dbraw/zinc/91/28/99/382912899.db2.gz MYZLJGMBAQVJOB-GFCCVEGCSA-N 1 0 294.351 2.857 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C)ccc1[N+](=O)[O-] ZINC000447054547 382993924 /nfs/dbraw/zinc/99/39/24/382993924.db2.gz ADPIAKOUJMNGHY-KGLIPLIRSA-N 1 0 289.379 2.966 20 5 CFBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000338474938 383018642 /nfs/dbraw/zinc/01/86/42/383018642.db2.gz MSXBHZZXBAAHJA-LLVKDONJSA-N 1 0 270.329 2.718 20 5 CFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000447905625 383029440 /nfs/dbraw/zinc/02/94/40/383029440.db2.gz UOSWXTDCXBVRJN-OAHLLOKOSA-N 1 0 291.395 2.805 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448362731 383058150 /nfs/dbraw/zinc/05/81/50/383058150.db2.gz OWFPCQRJOLADDU-CUXKMMBLSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423358656 383062363 /nfs/dbraw/zinc/06/23/63/383062363.db2.gz JPTOTPWVJPZPHN-BYCMXARLSA-N 1 0 277.368 2.634 20 5 CFBDRO C[C@@H](C[NH3+])N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423368605 383067550 /nfs/dbraw/zinc/06/75/50/383067550.db2.gz NJQMYCGPWNJCEE-BLLLJJGKSA-N 1 0 285.347 2.621 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423369435 383067977 /nfs/dbraw/zinc/06/79/77/383067977.db2.gz CDJVTXCZVYOLHS-ZYHUDNBSSA-N 1 0 265.357 2.552 20 5 CFBDRO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717145 383027576 /nfs/dbraw/zinc/02/75/76/383027576.db2.gz HDPXGXJRXNUJBQ-DZGCQCFKSA-N 1 0 291.395 2.818 20 5 CFBDRO Cc1c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924391 383121890 /nfs/dbraw/zinc/12/18/90/383121890.db2.gz QDTSLRRIKLYKLY-SWLSCSKDSA-N 1 0 291.395 2.818 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000608886382 383133917 /nfs/dbraw/zinc/13/39/17/383133917.db2.gz DSDHYVQYBMNPBP-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246637180 383088327 /nfs/dbraw/zinc/08/83/27/383088327.db2.gz WMZOCYKMPRBGOL-NHYWBVRUSA-N 1 0 292.335 2.541 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000449101503 383176129 /nfs/dbraw/zinc/17/61/29/383176129.db2.gz FMTZWWCZJOEBHV-STQMWFEESA-N 1 0 294.351 2.651 20 5 CFBDRO CCCCOCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108302 383178190 /nfs/dbraw/zinc/17/81/90/383178190.db2.gz UEJJRHWNEBTILE-ZDUSSCGKSA-N 1 0 280.368 2.932 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566630354 383195935 /nfs/dbraw/zinc/19/59/35/383195935.db2.gz JRMLCDFVSRPRFN-UKRRQHHQSA-N 1 0 292.379 2.969 20 5 CFBDRO Cn1cc(C[NH2+][C@H]2CC23CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424182423 383199613 /nfs/dbraw/zinc/19/96/13/383199613.db2.gz HEXRHATYIXXVCS-AWEZNQCLSA-N 1 0 298.346 2.637 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247145908 383147528 /nfs/dbraw/zinc/14/75/28/383147528.db2.gz WQLGFISXHFGVSD-CHWSQXEVSA-N 1 0 279.384 2.976 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000247156027 383148792 /nfs/dbraw/zinc/14/87/92/383148792.db2.gz XMLKUEXZBUIOMF-BXUZGUMPSA-N 1 0 298.770 2.841 20 5 CFBDRO Cc1nn(C[C@H]2CCCC[N@H+]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000339113823 383153989 /nfs/dbraw/zinc/15/39/89/383153989.db2.gz IFLWRXJQQKUJFN-CYBMUJFWSA-N 1 0 280.372 2.671 20 5 CFBDRO CCN(CC)[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077626 383164623 /nfs/dbraw/zinc/16/46/23/383164623.db2.gz WESYGENVIZCDQA-KGLIPLIRSA-N 1 0 293.411 2.846 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339586942 383254231 /nfs/dbraw/zinc/25/42/31/383254231.db2.gz NZVLVLTWZMWPAB-GHMZBOCLSA-N 1 0 268.288 2.584 20 5 CFBDRO Cc1ncncc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000520610009 383266280 /nfs/dbraw/zinc/26/62/80/383266280.db2.gz OQORFEPOOKENOA-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)CO ZINC000449406872 383272296 /nfs/dbraw/zinc/27/22/96/383272296.db2.gz DCXMAHREWUYZKE-LCYFTJDESA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248624132 383273802 /nfs/dbraw/zinc/27/38/02/383273802.db2.gz NRPIBLSHTWENOW-ZFWWWQNUSA-N 1 0 291.395 2.818 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2C3CCC2CC3)cc1 ZINC000520846105 383278013 /nfs/dbraw/zinc/27/80/13/383278013.db2.gz UNHSHNWILZLBGR-UHFFFAOYSA-N 1 0 262.309 2.600 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCC2CCOCC2)cs1 ZINC000449355315 383235984 /nfs/dbraw/zinc/23/59/84/383235984.db2.gz XYCALPLSVCHRSJ-UHFFFAOYSA-N 1 0 284.381 2.953 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cs1 ZINC000449514785 383349308 /nfs/dbraw/zinc/34/93/08/383349308.db2.gz YWKPYDLAQDUQDM-TZMCWYRMSA-N 1 0 296.392 2.543 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449503341 383340556 /nfs/dbraw/zinc/34/05/56/383340556.db2.gz PLAHQNNGNVLIDH-HZMBPMFUSA-N 1 0 282.315 2.591 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc[nH]c3)c2c1 ZINC000567541784 383285181 /nfs/dbraw/zinc/28/51/81/383285181.db2.gz OUTXGJKVBXPEDI-UHFFFAOYSA-N 1 0 284.319 2.737 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CC(C)(C)O ZINC000449448193 383299457 /nfs/dbraw/zinc/29/94/57/383299457.db2.gz FTJASCPYRQMMBD-LLVKDONJSA-N 1 0 266.341 2.542 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000567752818 383311616 /nfs/dbraw/zinc/31/16/16/383311616.db2.gz YZVWQBSQZHLHKH-FBKDDSFISA-N 1 0 258.321 2.970 20 5 CFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339797150 383322227 /nfs/dbraw/zinc/32/22/27/383322227.db2.gz HBUQYSPUKMXWNF-QZPNVGJNSA-N 1 0 272.308 2.682 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CCO)C(C)C ZINC000468630468 383362252 /nfs/dbraw/zinc/36/22/52/383362252.db2.gz YBOAFOCYURQRJO-LRFDDAOPSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250075938 383370216 /nfs/dbraw/zinc/37/02/16/383370216.db2.gz DFIPQBYLHAEDFU-RBSFLKMASA-N 1 0 289.379 2.605 20 5 CFBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000425334760 383371715 /nfs/dbraw/zinc/37/17/15/383371715.db2.gz HEVYVLBTUIGUHO-DGCLKSJQSA-N 1 0 266.366 2.887 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000340201521 383380357 /nfs/dbraw/zinc/38/03/57/383380357.db2.gz KAKDGKNXFDSJQC-SNVBAGLBSA-N 1 0 282.340 2.507 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672874 383425555 /nfs/dbraw/zinc/42/55/55/383425555.db2.gz DMZVNJNBSNUVEQ-NEPJUHHUSA-N 1 0 261.325 2.634 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253086884 383441433 /nfs/dbraw/zinc/44/14/33/383441433.db2.gz CNMHQLKRCVFVQS-NUEKZKHPSA-N 1 0 290.363 2.720 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1O ZINC000568983639 383455310 /nfs/dbraw/zinc/45/53/10/383455310.db2.gz MMYQPLHMUUDVSI-WDEREUQCSA-N 1 0 298.314 2.679 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000450549005 383456813 /nfs/dbraw/zinc/45/68/13/383456813.db2.gz UOQIXYUFDVAOMD-GFCCVEGCSA-N 1 0 289.379 2.824 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254970578 383473590 /nfs/dbraw/zinc/47/35/90/383473590.db2.gz DXZQQGMGIGUSPR-NBVGUUKWSA-N 1 0 290.363 2.843 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255035676 383474101 /nfs/dbraw/zinc/47/41/01/383474101.db2.gz VWVAWWMWPGDJPV-BRLPQQTGSA-N 1 0 290.363 2.966 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000428453166 383476451 /nfs/dbraw/zinc/47/64/51/383476451.db2.gz AKAGLIMMPJJBNX-HUUCEWRRSA-N 1 0 278.352 2.639 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252512985 383416922 /nfs/dbraw/zinc/41/69/22/383416922.db2.gz GMLKHWKHJUYTHL-RYUDHWBXSA-N 1 0 291.351 2.642 20 5 CFBDRO Cc1c[nH+]ccc1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569421666 383498057 /nfs/dbraw/zinc/49/80/57/383498057.db2.gz PYYSPRVWBBHKQG-UHFFFAOYSA-N 1 0 269.304 2.861 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000341126795 383575455 /nfs/dbraw/zinc/57/54/55/383575455.db2.gz RKCFYOYWYQAVRL-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000341136659 383579571 /nfs/dbraw/zinc/57/95/71/383579571.db2.gz IPFYZHIOJILRHZ-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO C[NH2+]CCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261970662 383588348 /nfs/dbraw/zinc/58/83/48/383588348.db2.gz CXCKIJRAGJJXQM-UHFFFAOYSA-N 1 0 295.358 2.555 20 5 CFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH2+]Cc3ccccc32)cc1 ZINC000261982398 383589905 /nfs/dbraw/zinc/58/99/05/383589905.db2.gz RNXKPCCDJKLAIT-UHFFFAOYSA-N 1 0 297.358 2.747 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489269757 383602906 /nfs/dbraw/zinc/60/29/06/383602906.db2.gz VENZLXKFEDDQAH-XHDPSFHLSA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000570463981 383606858 /nfs/dbraw/zinc/60/68/58/383606858.db2.gz IYVYGIVOTXOALR-CQSZACIVSA-N 1 0 291.395 2.805 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000570540979 383612717 /nfs/dbraw/zinc/61/27/17/383612717.db2.gz DPNQVTMGTQVDTP-SUNKGSAMSA-N 1 0 264.325 2.608 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000450953939 383565920 /nfs/dbraw/zinc/56/59/20/383565920.db2.gz MKXMCGAGIYSQAY-NSHDSACASA-N 1 0 298.774 2.562 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(C)c1 ZINC000341118109 383571884 /nfs/dbraw/zinc/57/18/84/383571884.db2.gz GFDBTCTXGQLXAQ-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO COC[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544898 383641533 /nfs/dbraw/zinc/64/15/33/383641533.db2.gz GDQAKYSVDWCZSD-JSGCOSHPSA-N 1 0 278.352 2.809 20 5 CFBDRO CC(C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548770 383642403 /nfs/dbraw/zinc/64/24/03/383642403.db2.gz OIRJQFCPVVONCL-ZDUSSCGKSA-N 1 0 278.352 2.545 20 5 CFBDRO COCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548449 383642683 /nfs/dbraw/zinc/64/26/83/383642683.db2.gz NHKKJBCNVFAKSC-CQSZACIVSA-N 1 0 278.352 2.811 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000570930959 383648468 /nfs/dbraw/zinc/64/84/68/383648468.db2.gz KBRUYMIDCNYOTE-LLVKDONJSA-N 1 0 296.346 2.805 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC1(C)C ZINC000489472047 383621864 /nfs/dbraw/zinc/62/18/64/383621864.db2.gz BRRBLOVPXBCIHW-GFCCVEGCSA-N 1 0 291.351 2.572 20 5 CFBDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000453243973 383812766 /nfs/dbraw/zinc/81/27/66/383812766.db2.gz CDTISTKFQFCKBN-HUBLWGQQSA-N 1 0 277.368 2.586 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000436412107 383813412 /nfs/dbraw/zinc/81/34/12/383813412.db2.gz MTDVEIGRQBRYES-GXSJLCMTSA-N 1 0 280.324 2.587 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCC2)CC1 ZINC000265004655 383815580 /nfs/dbraw/zinc/81/55/80/383815580.db2.gz VUYYVHGZNVTKGC-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO C[C@@H](CC[NH+](C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984322 383852974 /nfs/dbraw/zinc/85/29/74/383852974.db2.gz AACBSSRXJKMNJC-FZMZJTMJSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@@H]12 ZINC000531342498 383853742 /nfs/dbraw/zinc/85/37/42/383853742.db2.gz IAEIXYUACFETIQ-AGIUHOORSA-N 1 0 292.383 2.729 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000265272291 383880467 /nfs/dbraw/zinc/88/04/67/383880467.db2.gz XNOBETZOSLLWBA-LSDHHAIUSA-N 1 0 278.352 2.720 20 5 CFBDRO CCC(C)(C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000265218582 383865430 /nfs/dbraw/zinc/86/54/30/383865430.db2.gz NBZHNWPXWYCCDX-UHFFFAOYSA-N 1 0 293.367 2.678 20 5 CFBDRO Cc1cnc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000573624025 383965108 /nfs/dbraw/zinc/96/51/08/383965108.db2.gz HTLQNPGWEALDNK-OAHLLOKOSA-N 1 0 298.346 2.513 20 5 CFBDRO COc1ccc(C[NH2+]C2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000532120913 383977635 /nfs/dbraw/zinc/97/76/35/383977635.db2.gz XTAHSOPFPFNVJC-UHFFFAOYSA-N 1 0 262.309 2.636 20 5 CFBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCC1 ZINC000532586415 384048360 /nfs/dbraw/zinc/04/83/60/384048360.db2.gz VWULOXRZEWWWTN-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000266181204 384105798 /nfs/dbraw/zinc/10/57/98/384105798.db2.gz AOZGWRPOLAWJTO-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000266765702 384234532 /nfs/dbraw/zinc/23/45/32/384234532.db2.gz HUUPWUKRIAYFOS-SMDDNHRTSA-N 1 0 290.319 2.880 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000266765698 384234845 /nfs/dbraw/zinc/23/48/45/384234845.db2.gz HUUPWUKRIAYFOS-RISCZKNCSA-N 1 0 290.319 2.880 20 5 CFBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000266799353 384239209 /nfs/dbraw/zinc/23/92/09/384239209.db2.gz BQKBOXZEOURWHQ-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000269641882 285094559 /nfs/dbraw/zinc/09/45/59/285094559.db2.gz OEEQGUNESUQUEK-QWHCGFSZSA-N 1 0 297.305 2.912 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000266945563 384267415 /nfs/dbraw/zinc/26/74/15/384267415.db2.gz CRWUMCOOFYVSDD-UHFFFAOYSA-N 1 0 293.367 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277398379 384289925 /nfs/dbraw/zinc/28/99/25/384289925.db2.gz HLPJCPCYPXDEFJ-OAHLLOKOSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000267295335 384350084 /nfs/dbraw/zinc/35/00/84/384350084.db2.gz SLFQXOXEVGHGSV-NEPJUHHUSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1cnc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267324336 384358337 /nfs/dbraw/zinc/35/83/37/384358337.db2.gz ZKUXJHVJOAJYGI-VXGBXAGGSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000278049199 384465312 /nfs/dbraw/zinc/46/53/12/384465312.db2.gz XXYJNDFPIFIVHI-GMXVVIOVSA-N 1 0 264.325 2.670 20 5 CFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000267922918 384490971 /nfs/dbraw/zinc/49/09/71/384490971.db2.gz KPMVIYAMTNPSRJ-UHFFFAOYSA-N 1 0 294.351 2.806 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@H]1C ZINC000278373437 384544828 /nfs/dbraw/zinc/54/48/28/384544828.db2.gz BZMSKBCJLRAHLJ-UMVBOHGHSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000269100414 384726023 /nfs/dbraw/zinc/72/60/23/384726023.db2.gz RLYBNSHQFIWXFE-UONOGXRCSA-N 1 0 289.379 2.824 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269664863 384825303 /nfs/dbraw/zinc/82/53/03/384825303.db2.gz RLSHROXPXKUTIN-TYNCELHUSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269631623 384810531 /nfs/dbraw/zinc/81/05/31/384810531.db2.gz FXXHNSRHDSEARK-AWEZNQCLSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269628701 384810937 /nfs/dbraw/zinc/81/09/37/384810937.db2.gz KLFWPPGGHNBXLM-JTQLQIEISA-N 1 0 299.321 2.651 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269628061 384811308 /nfs/dbraw/zinc/81/13/08/384811308.db2.gz DFHKKXUMJCEMLP-XUJVJEKNSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCOC1)CCC2 ZINC000278163419 285143990 /nfs/dbraw/zinc/14/39/90/285143990.db2.gz BTKSXUVRNYKOSO-ABAIWWIYSA-N 1 0 276.336 2.598 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000270290583 385043301 /nfs/dbraw/zinc/04/33/01/385043301.db2.gz ODILAQNFSPUXOZ-GOEBONIOSA-N 1 0 298.346 2.847 20 5 CFBDRO COc1cc(C[NH2+]CCC2(C)CC2)c([N+](=O)[O-])cc1O ZINC000280709659 385122983 /nfs/dbraw/zinc/12/29/83/385122983.db2.gz XCAKYTITCNZQBU-UHFFFAOYSA-N 1 0 280.324 2.589 20 5 CFBDRO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280638270 385096228 /nfs/dbraw/zinc/09/62/28/385096228.db2.gz YAWFNPRQOGXXSH-LBPRGKRZSA-N 1 0 278.352 2.578 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CO)C1CCCC1 ZINC000352677900 285154284 /nfs/dbraw/zinc/15/42/84/285154284.db2.gz LURJIPGTVKUKAE-CYBMUJFWSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1ccc(CN2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271013881 385301890 /nfs/dbraw/zinc/30/18/90/385301890.db2.gz QPRDWZIGRKLCCB-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO C[N@H+](CCc1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000282508169 385330537 /nfs/dbraw/zinc/33/05/37/385330537.db2.gz RRQYHOPEQSPALI-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000282565789 385342811 /nfs/dbraw/zinc/34/28/11/385342811.db2.gz AIPAYXLFFNXEHE-GFCCVEGCSA-N 1 0 266.366 2.887 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651971 385361648 /nfs/dbraw/zinc/36/16/48/385361648.db2.gz CIYVZMQRAHZIMJ-GJZGRUSLSA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC1(C)C ZINC000272007588 385423970 /nfs/dbraw/zinc/42/39/70/385423970.db2.gz FMJNLERLICTMQD-MFKMUULPSA-N 1 0 291.351 2.700 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCSC1 ZINC000271944560 385407681 /nfs/dbraw/zinc/40/76/81/385407681.db2.gz PSMMYCSQAAAHLC-LLVKDONJSA-N 1 0 282.365 2.589 20 5 CFBDRO CC1(C)SC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000282953082 385415443 /nfs/dbraw/zinc/41/54/43/385415443.db2.gz XWSFGVBPVWEZLE-QMMMGPOBSA-N 1 0 258.368 2.640 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000282988518 385420769 /nfs/dbraw/zinc/42/07/69/385420769.db2.gz MTCCTPQEECWEOJ-UHFFFAOYSA-N 1 0 280.368 2.934 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283286510 385453734 /nfs/dbraw/zinc/45/37/34/385453734.db2.gz MKKMKZWPRRSFBD-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283523223 385472707 /nfs/dbraw/zinc/47/27/07/385472707.db2.gz NFHWJWORDFVXQL-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO CC[N@H+](CCCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272300659 385502763 /nfs/dbraw/zinc/50/27/63/385502763.db2.gz ITXRIUUOBBPHFB-LBPRGKRZSA-N 1 0 266.341 2.669 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272422598 385533486 /nfs/dbraw/zinc/53/34/86/385533486.db2.gz MAFPLHVREWUBQO-NEPJUHHUSA-N 1 0 266.341 2.797 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000288805837 197169570 /nfs/dbraw/zinc/16/95/70/197169570.db2.gz MCAQSIZHLVAWDA-MRXNPFEDSA-N 1 0 292.379 2.888 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272866512 385635463 /nfs/dbraw/zinc/63/54/63/385635463.db2.gz YPKMLSJKUSIKNF-QWRGUYRKSA-N 1 0 252.314 2.623 20 5 CFBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000274903663 385893189 /nfs/dbraw/zinc/89/31/89/385893189.db2.gz TYQZJKMBLPZTBM-CYBMUJFWSA-N 1 0 284.331 2.573 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288236028 197033241 /nfs/dbraw/zinc/03/32/41/197033241.db2.gz FKDUPNSNAYURNK-LBPRGKRZSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCCO1 ZINC000281250827 195167817 /nfs/dbraw/zinc/16/78/17/195167817.db2.gz MNXHYEXJEIKUBJ-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1c(CN(C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281335058 195200625 /nfs/dbraw/zinc/20/06/25/195200625.db2.gz MDHCCYSLXRMHCI-UHFFFAOYSA-N 1 0 291.395 2.821 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C(C)(C)O)C1 ZINC000459611663 533407757 /nfs/dbraw/zinc/40/77/57/533407757.db2.gz OPMOECSQHZOLBS-KPKJPENVSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327602 533438587 /nfs/dbraw/zinc/43/85/87/533438587.db2.gz LLWJAZBOFMLEJO-IUODEOHRSA-N 1 0 277.368 2.635 20 5 CFBDRO COc1cccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294297 533618875 /nfs/dbraw/zinc/61/88/75/533618875.db2.gz YYDMJTMIFXEQJI-GHMZBOCLSA-N 1 0 279.340 2.533 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414513328 533667403 /nfs/dbraw/zinc/66/74/03/533667403.db2.gz KAGKBKNIHCULDZ-GVXVVHGQSA-N 1 0 294.351 2.507 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414513332 533668472 /nfs/dbraw/zinc/66/84/72/533668472.db2.gz KAGKBKNIHCULDZ-MDZLAQPJSA-N 1 0 294.351 2.507 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191647536 130269393 /nfs/dbraw/zinc/26/93/93/130269393.db2.gz NNPGTHVTMJHBNU-AXFHLTTASA-N 1 0 252.314 2.669 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191956522 130338818 /nfs/dbraw/zinc/33/88/18/130338818.db2.gz CKPZWRUCMIEDQJ-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192178366 130387917 /nfs/dbraw/zinc/38/79/17/130387917.db2.gz SSSRIQXYPIAMEE-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1cc(C)c([N+](=O)[O-])cn1 ZINC000359237757 130502948 /nfs/dbraw/zinc/50/29/48/130502948.db2.gz XXNKACLHSRSCPF-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO COCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000225589401 130812718 /nfs/dbraw/zinc/81/27/18/130812718.db2.gz BRAJMRJBXHGHLU-UHFFFAOYSA-N 1 0 252.314 2.501 20 5 CFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245453700 131085713 /nfs/dbraw/zinc/08/57/13/131085713.db2.gz RKIFOORPZXFPHG-ZYHUDNBSSA-N 1 0 291.351 2.715 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248358205 131114448 /nfs/dbraw/zinc/11/44/48/131114448.db2.gz QMPLRWKBXSMEJD-IJLUTSLNSA-N 1 0 291.351 2.652 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261661299 131160484 /nfs/dbraw/zinc/16/04/84/131160484.db2.gz KNUIXAYJCXIJHG-DGCLKSJQSA-N 1 0 291.351 2.749 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000268873251 132080829 /nfs/dbraw/zinc/08/08/29/132080829.db2.gz VXQDQGAFWSDPTA-OLZOCXBDSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCOCC2CC2)cccc1[N+](=O)[O-] ZINC000268945603 132091987 /nfs/dbraw/zinc/09/19/87/132091987.db2.gz UEPVBGLUQYZHLG-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1c([C@H](C)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070673 132107892 /nfs/dbraw/zinc/10/78/92/132107892.db2.gz ZXXARTKZAGRDHM-YPMHNXCESA-N 1 0 279.384 2.894 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269362800 132160201 /nfs/dbraw/zinc/16/02/01/132160201.db2.gz JSVAGEBVIICFBA-GZMMTYOYSA-N 1 0 296.758 2.538 20 5 CFBDRO Cc1nn(CC[NH+]2CCCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000269365937 132161125 /nfs/dbraw/zinc/16/11/25/132161125.db2.gz ODHOBPQALWZYGP-UHFFFAOYSA-N 1 0 288.351 2.739 20 5 CFBDRO Cc1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301426598 393470766 /nfs/dbraw/zinc/47/07/66/393470766.db2.gz CTGXDHQRSIOEKT-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000187964448 393559473 /nfs/dbraw/zinc/55/94/73/393559473.db2.gz UAZPAWRYQWHCCR-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330589574 393553916 /nfs/dbraw/zinc/55/39/16/393553916.db2.gz PJKUILQYGIWTRF-PWSUYJOCSA-N 1 0 277.324 2.731 20 5 CFBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331079949 393554140 /nfs/dbraw/zinc/55/41/40/393554140.db2.gz WZRYVXSUYVJHNX-VXGBXAGGSA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331496938 393556598 /nfs/dbraw/zinc/55/65/98/393556598.db2.gz NKGPSCWOOPMYOP-NXEZZACHSA-N 1 0 274.324 2.844 20 5 CFBDRO CC(C)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000055084664 393619864 /nfs/dbraw/zinc/61/98/64/393619864.db2.gz QVLNDBFUOHNQJV-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO CCC(CC)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192699966 393630150 /nfs/dbraw/zinc/63/01/50/393630150.db2.gz SBRWZTXISVPQFC-SNVBAGLBSA-N 1 0 279.340 2.700 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192796032 393632388 /nfs/dbraw/zinc/63/23/88/393632388.db2.gz YKHARJLTMKYDSY-XHDPSFHLSA-N 1 0 278.352 2.987 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192884166 393635591 /nfs/dbraw/zinc/63/55/91/393635591.db2.gz WHPNRUPYRIHWSI-IUODEOHRSA-N 1 0 278.352 2.987 20 5 CFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCC1 ZINC000083171783 393741944 /nfs/dbraw/zinc/74/19/44/393741944.db2.gz NKWFYGAATZOSIM-UHFFFAOYSA-N 1 0 275.308 2.968 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000077248853 393696949 /nfs/dbraw/zinc/69/69/49/393696949.db2.gz HORRIKZVVIRZPO-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411361323 393703505 /nfs/dbraw/zinc/70/35/05/393703505.db2.gz HAHDLMXINZWFQQ-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(SCCC[NH+]2CCCC2)nc1 ZINC000195038303 393728599 /nfs/dbraw/zinc/72/85/99/393728599.db2.gz JZNZHHIJIDZNAP-UHFFFAOYSA-N 1 0 267.354 2.568 20 5 CFBDRO Cc1cccc2nc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)cn21 ZINC000195049407 393729229 /nfs/dbraw/zinc/72/92/29/393729229.db2.gz XDHSBEPZPGLNTF-UHFFFAOYSA-N 1 0 297.318 2.673 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226332710 393770755 /nfs/dbraw/zinc/77/07/55/393770755.db2.gz UEVKWQHKJPEGLY-OBJOEFQTSA-N 1 0 277.368 2.715 20 5 CFBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC000424340272 393836198 /nfs/dbraw/zinc/83/61/98/393836198.db2.gz XTLQOUQARNYXJV-RAIGVLPGSA-N 1 0 263.341 2.515 20 5 CFBDRO CCc1ncc(CN(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000414373462 393799865 /nfs/dbraw/zinc/79/98/65/393799865.db2.gz SGLNSOLVUHBRPH-UHFFFAOYSA-N 1 0 286.335 2.579 20 5 CFBDRO CCC[C@@H](C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245610396 393818684 /nfs/dbraw/zinc/81/86/84/393818684.db2.gz BACGSCCETAHBIW-CHWSQXEVSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC(F)(F)C1 ZINC000428653519 393902630 /nfs/dbraw/zinc/90/26/30/393902630.db2.gz SELJVJMMKAGEHD-HYXAFXHYSA-N 1 0 268.263 2.995 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCCO ZINC000471820743 393919915 /nfs/dbraw/zinc/91/99/15/393919915.db2.gz IBHZVXZGSIAJSC-JLHYYAGUSA-N 1 0 278.352 2.702 20 5 CFBDRO [NH3+][C@@H]1Cc2ccccc2N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000262023597 393952741 /nfs/dbraw/zinc/95/27/41/393952741.db2.gz YAPXJMUPDNXLSX-OAHLLOKOSA-N 1 0 297.358 2.527 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417396682 393956104 /nfs/dbraw/zinc/95/61/04/393956104.db2.gz XGPKDKHJMCABJU-JQWIXIFHSA-N 1 0 299.321 2.585 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430202432 393967378 /nfs/dbraw/zinc/96/73/78/393967378.db2.gz CRTKQMUKCZVYSS-JTQLQIEISA-N 1 0 252.314 2.834 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000430217668 393969834 /nfs/dbraw/zinc/96/98/34/393969834.db2.gz KBKVPFXFIHTZRB-SMDDNHRTSA-N 1 0 276.336 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000430228256 393971051 /nfs/dbraw/zinc/97/10/51/393971051.db2.gz RRTJREXMMNKIFG-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430285318 393979357 /nfs/dbraw/zinc/97/93/57/393979357.db2.gz SGTBFJFEDQJZSR-GFCCVEGCSA-N 1 0 276.336 2.872 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000269832141 394007853 /nfs/dbraw/zinc/00/78/53/394007853.db2.gz PVPIAARJWAEZFZ-YNEHKIRRSA-N 1 0 278.352 2.891 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000127328673 394047338 /nfs/dbraw/zinc/04/73/38/394047338.db2.gz YZYBSPMJNCEKNA-OAHLLOKOSA-N 1 0 291.395 2.819 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000128218643 394065347 /nfs/dbraw/zinc/06/53/47/394065347.db2.gz PGGJKQBUUWTWBR-AAEUAGOBSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000438357400 394079298 /nfs/dbraw/zinc/07/92/98/394079298.db2.gz XDJRAYKRGRRQBQ-RWMBFGLXSA-N 1 0 278.352 2.901 20 5 CFBDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353821508 394036657 /nfs/dbraw/zinc/03/66/57/394036657.db2.gz SOGJTLFAJZANLN-VOAKCMCISA-N 1 0 278.356 2.663 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000281996799 394108377 /nfs/dbraw/zinc/10/83/77/394108377.db2.gz INTFJIDULPABSU-GXFFZTMASA-N 1 0 291.351 2.620 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130407773 394111337 /nfs/dbraw/zinc/11/13/37/394111337.db2.gz NDTQCYDNVBWRFB-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420283154 394115550 /nfs/dbraw/zinc/11/55/50/394115550.db2.gz NSENVOZGTXSSOG-NWDGAFQWSA-N 1 0 263.341 2.833 20 5 CFBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420289761 394117445 /nfs/dbraw/zinc/11/74/45/394117445.db2.gz ZXDHYXQYMRPPSR-IMTBSYHQSA-N 1 0 290.150 2.685 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000284020076 394134165 /nfs/dbraw/zinc/13/41/65/394134165.db2.gz NPGWIJWMZOEMIW-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1cc(N2CCC[N@@H+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359884420 394142417 /nfs/dbraw/zinc/14/24/17/394142417.db2.gz WCGNPMASGFWTKH-UHFFFAOYSA-N 1 0 295.358 2.963 20 5 CFBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360030921 394144746 /nfs/dbraw/zinc/14/47/46/394144746.db2.gz JYQTXWVRCCXAHI-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO CO[C@H](C)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000285790451 394145890 /nfs/dbraw/zinc/14/58/90/394145890.db2.gz TWBGYTOAVBDTIP-NEPJUHHUSA-N 1 0 266.341 2.931 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@H](CCO)CC2)cccc1[N+](=O)[O-] ZINC000421008565 394155052 /nfs/dbraw/zinc/15/50/52/394155052.db2.gz DFSPFSZPVVMAQG-AWEZNQCLSA-N 1 0 292.379 2.888 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747738 394199485 /nfs/dbraw/zinc/19/94/85/394199485.db2.gz GIZOUVONZHFMMI-GWCFXTLKSA-N 1 0 286.335 2.526 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000421379696 394211101 /nfs/dbraw/zinc/21/11/01/394211101.db2.gz JCURDRVNPKOFLI-YPMHNXCESA-N 1 0 282.315 2.781 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110742 394216404 /nfs/dbraw/zinc/21/64/04/394216404.db2.gz GJLOQFNQKQAJKF-VXGBXAGGSA-N 1 0 266.341 2.540 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000289660429 394221454 /nfs/dbraw/zinc/22/14/54/394221454.db2.gz YPHNSTVBBHEOJY-BETUJISGSA-N 1 0 264.325 2.512 20 5 CFBDRO CC(C)CCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364838008 394224358 /nfs/dbraw/zinc/22/43/58/394224358.db2.gz CCGZPESGULJSCU-ZDUSSCGKSA-N 1 0 280.372 2.864 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290292983 394228410 /nfs/dbraw/zinc/22/84/10/394228410.db2.gz YDTMLKWXRKLSNV-GMTAPVOTSA-N 1 0 252.314 2.669 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(C)(C)C ZINC000449145763 394228927 /nfs/dbraw/zinc/22/89/27/394228927.db2.gz LWIISNPAKHDNTL-FZMZJTMJSA-N 1 0 280.368 2.522 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290392245 394229202 /nfs/dbraw/zinc/22/92/02/394229202.db2.gz IXHKQDPXHSHAEM-XJKSGUPXSA-N 1 0 291.395 2.675 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CC(C)(C)C ZINC000449150933 394230989 /nfs/dbraw/zinc/23/09/89/394230989.db2.gz UTZFNCUAZLAZAP-TZMCWYRMSA-N 1 0 294.395 2.913 20 5 CFBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000290777101 394233451 /nfs/dbraw/zinc/23/34/51/394233451.db2.gz MKNIZGHAHRRKQO-CABCVRRESA-N 1 0 290.363 2.749 20 5 CFBDRO CC[NH+]1CCC(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148504508 394248139 /nfs/dbraw/zinc/24/81/39/394248139.db2.gz PVAPUFRCIGOWFW-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO COCCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449197153 394249606 /nfs/dbraw/zinc/24/96/06/394249606.db2.gz USZIYARVGVLAPR-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@H]([NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423482954 394283997 /nfs/dbraw/zinc/28/39/97/394283997.db2.gz XNOFHDOANRIXQV-HZMBPMFUSA-N 1 0 277.368 2.644 20 5 CFBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493606643 394288791 /nfs/dbraw/zinc/28/87/91/394288791.db2.gz QRXQOAKQJMQBQB-ZIAGYGMSSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423551621 394296660 /nfs/dbraw/zinc/29/66/60/394296660.db2.gz JDZMBUNOJXWRPD-STQMWFEESA-N 1 0 277.368 2.696 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423573195 394299113 /nfs/dbraw/zinc/29/91/13/394299113.db2.gz ZDUVPWLSMYBJTE-JSGCOSHPSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453061371 394381512 /nfs/dbraw/zinc/38/15/12/394381512.db2.gz SQTLZQDNLHMVKK-SDDRHHMPSA-N 1 0 266.345 2.663 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)C2CCC2)cccc1[N+](=O)[O-] ZINC000453387326 394394357 /nfs/dbraw/zinc/39/43/57/394394357.db2.gz PTFGYNRFDDKANL-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@H](C)O)cc1[N+](=O)[O-] ZINC000453322220 394385522 /nfs/dbraw/zinc/38/55/22/394385522.db2.gz AEBBCVJICASQLV-GVXVVHGQSA-N 1 0 296.367 2.804 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453414164 394399985 /nfs/dbraw/zinc/39/99/85/394399985.db2.gz SRRSWMLAPJPFLH-MGPQQGTHSA-N 1 0 264.325 2.549 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000537983007 394597417 /nfs/dbraw/zinc/59/74/17/394597417.db2.gz TUJSWCQBIQCTEC-SMDDNHRTSA-N 1 0 266.341 2.571 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000540167891 394644065 /nfs/dbraw/zinc/64/40/65/394644065.db2.gz ARXHWAKNRXZLIT-NSHDSACASA-N 1 0 276.292 2.917 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000543793575 394743670 /nfs/dbraw/zinc/74/36/70/394743670.db2.gz MGHPAZICPLJKTI-ZDUSSCGKSA-N 1 0 292.383 2.749 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](OC(F)F)C1 ZINC000555076492 394965686 /nfs/dbraw/zinc/96/56/86/394965686.db2.gz CEYPMLQRAJWIJU-SKDRFNHKSA-N 1 0 286.278 2.969 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594955516 395104026 /nfs/dbraw/zinc/10/40/26/395104026.db2.gz AFJVVWUFCDXIQB-ZDUSSCGKSA-N 1 0 277.368 2.557 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295164040 397634962 /nfs/dbraw/zinc/63/49/62/397634962.db2.gz FQZQHYXRUOMLSO-LBPRGKRZSA-N 1 0 284.743 2.905 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791675 155370693 /nfs/dbraw/zinc/37/06/93/155370693.db2.gz JLBCJFRANPNUFH-RYUDHWBXSA-N 1 0 293.367 2.522 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC000293126038 292295438 /nfs/dbraw/zinc/29/54/38/292295438.db2.gz MQADMYBACYHJQV-OCCSQVGLSA-N 1 0 278.352 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420306339 292296540 /nfs/dbraw/zinc/29/65/40/292296540.db2.gz ASULOTKDBJDGGG-XEZPLFJOSA-N 1 0 289.379 2.648 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420306696 292296308 /nfs/dbraw/zinc/29/63/08/292296308.db2.gz AUEBHYAGZOJQOJ-IHRRRGAJSA-N 1 0 289.379 2.506 20 5 CFBDRO CN(Cc1ccc(F)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000345735532 154254433 /nfs/dbraw/zinc/25/44/33/154254433.db2.gz BYXRZICAORIKID-UHFFFAOYSA-N 1 0 275.283 2.761 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000348274989 154389695 /nfs/dbraw/zinc/38/96/95/154389695.db2.gz MBDIUJIFUNQTKH-ZFWWWQNUSA-N 1 0 280.368 2.900 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000352315237 154530565 /nfs/dbraw/zinc/53/05/65/154530565.db2.gz NOMMGYZROVEMPP-UHFFFAOYSA-N 1 0 251.330 2.739 20 5 CFBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000355787125 155086440 /nfs/dbraw/zinc/08/64/40/155086440.db2.gz STAPRFRVJLNXTM-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000362963434 156128737 /nfs/dbraw/zinc/12/87/37/156128737.db2.gz MKGQVLKWASMPRH-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363622627 156188870 /nfs/dbraw/zinc/18/88/70/156188870.db2.gz ZCWFCEYCGZRSPP-LBPRGKRZSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000374414147 157110998 /nfs/dbraw/zinc/11/09/98/157110998.db2.gz GJULDZZKBVVVNQ-LLVKDONJSA-N 1 0 296.396 2.506 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344436224 162044171 /nfs/dbraw/zinc/04/41/71/162044171.db2.gz PVMAXXHKYPMNHE-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000344536093 162061757 /nfs/dbraw/zinc/06/17/57/162061757.db2.gz KULJBGRWDRQALS-MLGOLLRUSA-N 1 0 292.379 2.667 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C)CC1 ZINC000344789398 162122001 /nfs/dbraw/zinc/12/20/01/162122001.db2.gz HCRAYGLGKAIQBJ-JLHYYAGUSA-N 1 0 289.379 2.682 20 5 CFBDRO CO[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000344799924 162125078 /nfs/dbraw/zinc/12/50/78/162125078.db2.gz UMFLOCJWHVXLEX-NSHDSACASA-N 1 0 292.257 2.652 20 5 CFBDRO COC[C@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344875713 162139844 /nfs/dbraw/zinc/13/98/44/162139844.db2.gz OIOUJCSSCCNACR-FFXRNRBCSA-N 1 0 278.352 2.870 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1C=C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345047757 162169916 /nfs/dbraw/zinc/16/99/16/162169916.db2.gz AZJUDPOLOWXIPC-INWMFGNUSA-N 1 0 290.363 2.963 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000345167170 162191996 /nfs/dbraw/zinc/19/19/96/162191996.db2.gz XRAXZEHCEHUAHQ-OLZOCXBDSA-N 1 0 277.368 2.822 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346175788 162343296 /nfs/dbraw/zinc/34/32/96/162343296.db2.gz HYFSEGKQAFDKGM-OLZOCXBDSA-N 1 0 277.368 2.509 20 5 CFBDRO CCC[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000346349190 162388999 /nfs/dbraw/zinc/38/89/99/162388999.db2.gz ZDCASJDQDXBZRQ-UHFFFAOYSA-N 1 0 252.314 2.706 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCOC1 ZINC000346868075 162540509 /nfs/dbraw/zinc/54/05/09/162540509.db2.gz QWPNONWCBFGVEA-UONOGXRCSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCOC1 ZINC000346868078 162542552 /nfs/dbraw/zinc/54/25/52/162542552.db2.gz QWPNONWCBFGVEA-ZIAGYGMSSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC(CC)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348896845 162919316 /nfs/dbraw/zinc/91/93/16/162919316.db2.gz UKXMUAXBKXNXEK-UHFFFAOYSA-N 1 0 265.357 2.796 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(C)o1 ZINC000350007171 163050787 /nfs/dbraw/zinc/05/07/87/163050787.db2.gz KTRZZCZAQAZZOK-UHFFFAOYSA-N 1 0 289.335 2.840 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350291620 163070745 /nfs/dbraw/zinc/07/07/45/163070745.db2.gz VTONSECERWTXBH-QCZZGDTMSA-N 1 0 296.342 2.883 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000350518059 163090184 /nfs/dbraw/zinc/09/01/84/163090184.db2.gz SJUPAFNDVBZWFE-NWDGAFQWSA-N 1 0 288.351 2.610 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352776562 163232978 /nfs/dbraw/zinc/23/29/78/163232978.db2.gz CYFYZXHGWVFUNU-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352800285 163239816 /nfs/dbraw/zinc/23/98/16/163239816.db2.gz HMRWLVRNQMCQTP-MADCSZMMSA-N 1 0 288.319 2.714 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353014254 163286896 /nfs/dbraw/zinc/28/68/96/163286896.db2.gz CQJTWWOUYYKYBL-YJLKIPLNSA-N 1 0 278.377 2.949 20 5 CFBDRO Cc1cnc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000353283170 163337495 /nfs/dbraw/zinc/33/74/95/163337495.db2.gz SJTCRWRGVGAFNP-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353507729 163381351 /nfs/dbraw/zinc/38/13/51/163381351.db2.gz CNFKWZCQLBQSQT-UKRRQHHQSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245817667 287144953 /nfs/dbraw/zinc/14/49/53/287144953.db2.gz SHBHEOWWYUFXMB-SWLSCSKDSA-N 1 0 277.368 2.682 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000284378972 196044414 /nfs/dbraw/zinc/04/44/14/196044414.db2.gz OPKYPPRQLDEJIJ-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000020127928 171013885 /nfs/dbraw/zinc/01/38/85/171013885.db2.gz WDRVRBLBUFATAT-NSHDSACASA-N 1 0 257.293 2.841 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020208886 171073568 /nfs/dbraw/zinc/07/35/68/171073568.db2.gz VGHCYRMVDNDIJV-MJVIPROJSA-N 1 0 264.325 2.813 20 5 CFBDRO CC1(C)CC(Nc2ccc([N+](=O)[O-])nc2)CC(C)(C)[NH2+]1 ZINC000020324559 171150915 /nfs/dbraw/zinc/15/09/15/171150915.db2.gz WKRHZUXNQGLLIC-UHFFFAOYSA-N 1 0 278.356 2.711 20 5 CFBDRO CCOC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000284956139 196164882 /nfs/dbraw/zinc/16/48/82/196164882.db2.gz FGJJCLQTKTUNRF-BXUZGUMPSA-N 1 0 295.383 2.889 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000035274546 172094210 /nfs/dbraw/zinc/09/42/10/172094210.db2.gz JAZKITYCGKRPIL-LLVKDONJSA-N 1 0 288.351 2.796 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1 ZINC000285093445 196194862 /nfs/dbraw/zinc/19/48/62/196194862.db2.gz QGIPPHPUJPQYAL-JKSUJKDBSA-N 1 0 299.330 2.610 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000285115193 196200539 /nfs/dbraw/zinc/20/05/39/196200539.db2.gz KWBRDKYMSSZZSX-NSHDSACASA-N 1 0 293.367 2.644 20 5 CFBDRO CC(C)OCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285249968 196233074 /nfs/dbraw/zinc/23/30/74/196233074.db2.gz HCVXHEYWVMBHNV-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO C[N@H+](CCCCCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285321751 196250339 /nfs/dbraw/zinc/25/03/39/196250339.db2.gz NBARJAVKDOALOY-UHFFFAOYSA-N 1 0 280.368 2.622 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000035601114 172288984 /nfs/dbraw/zinc/28/89/84/172288984.db2.gz CTGARLXBWFYFFR-LRDDRELGSA-N 1 0 286.331 2.979 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000035693261 172362461 /nfs/dbraw/zinc/36/24/61/172362461.db2.gz WIFJFSNSMQROQR-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000036721083 172657873 /nfs/dbraw/zinc/65/78/73/172657873.db2.gz VFJGRPZIKVKSJD-MFKMUULPSA-N 1 0 252.314 2.670 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285617198 196345879 /nfs/dbraw/zinc/34/58/79/196345879.db2.gz KDDAYVUFVIRCMV-VIFPVBQESA-N 1 0 272.732 2.715 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC000285624382 196347188 /nfs/dbraw/zinc/34/71/88/196347188.db2.gz QVZPXJXCPGJHDW-WCQYABFASA-N 1 0 295.408 2.715 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000285695179 196369325 /nfs/dbraw/zinc/36/93/25/196369325.db2.gz VPUUMTGNEHJYSU-CZUORRHYSA-N 1 0 289.379 2.653 20 5 CFBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000037395900 173175652 /nfs/dbraw/zinc/17/56/52/173175652.db2.gz YARVDBYEOIFJCD-UHFFFAOYSA-N 1 0 279.340 2.620 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000037395895 173176077 /nfs/dbraw/zinc/17/60/77/173176077.db2.gz QCRXANBXGYCHPF-UHFFFAOYSA-N 1 0 279.340 2.620 20 5 CFBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000037999267 173961273 /nfs/dbraw/zinc/96/12/73/173961273.db2.gz GISHMSSIGOUAMM-GFCCVEGCSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@H](CNCc1csc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000038042071 174043926 /nfs/dbraw/zinc/04/39/26/174043926.db2.gz JQESNXNSWOHVNG-GFCCVEGCSA-N 1 0 297.424 2.868 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000038079462 174089058 /nfs/dbraw/zinc/08/90/58/174089058.db2.gz QYPZNNSUIAUPRF-LLVKDONJSA-N 1 0 276.292 2.917 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000038089193 174102528 /nfs/dbraw/zinc/10/25/28/174102528.db2.gz GQDYXFLVHZJMCI-MRVPVSSYSA-N 1 0 291.273 2.976 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038095956 174110115 /nfs/dbraw/zinc/11/01/15/174110115.db2.gz WSSSDIQNMRZEBF-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000038096030 174110329 /nfs/dbraw/zinc/11/03/29/174110329.db2.gz GXOVHVBSLGHUMO-VXGBXAGGSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672537 174370780 /nfs/dbraw/zinc/37/07/80/174370780.db2.gz KEZKAFYFVMDVRV-TZMCWYRMSA-N 1 0 277.368 2.648 20 5 CFBDRO COC(C)(C)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675955 174373303 /nfs/dbraw/zinc/37/33/03/174373303.db2.gz KQOVFKOBFCHSQC-LBPRGKRZSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000044499302 175184836 /nfs/dbraw/zinc/18/48/36/175184836.db2.gz WKIOQQZVGZHBKZ-WDEREUQCSA-N 1 0 274.324 2.740 20 5 CFBDRO CC(C)CCOCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000045094337 175307015 /nfs/dbraw/zinc/30/70/15/175307015.db2.gz QQPCAYPSTKAYGL-UHFFFAOYSA-N 1 0 272.370 2.809 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000071207322 176081118 /nfs/dbraw/zinc/08/11/18/176081118.db2.gz KWCCBFYJVCDJLI-ZYHUDNBSSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000071333160 176126164 /nfs/dbraw/zinc/12/61/64/176126164.db2.gz ASSMKOMOIZUCRK-CQSZACIVSA-N 1 0 274.324 2.569 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000077204450 177233180 /nfs/dbraw/zinc/23/31/80/177233180.db2.gz YXIUELKDUFTAJW-HIFRSBDPSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000077466055 177272074 /nfs/dbraw/zinc/27/20/74/177272074.db2.gz QTPRNJKIJXGTNJ-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000343608982 292586216 /nfs/dbraw/zinc/58/62/16/292586216.db2.gz LYRRRCNWYCGAJQ-KGLIPLIRSA-N 1 0 289.379 2.966 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291280945 263121032 /nfs/dbraw/zinc/12/10/32/263121032.db2.gz ORIDWMSFRPCPQL-VFQAQYNWSA-N 1 0 298.346 2.752 20 5 CFBDRO C[C@@H]([NH2+]Cc1ncccc1O)c1ccccc1[N+](=O)[O-] ZINC000518836834 265109345 /nfs/dbraw/zinc/10/93/45/265109345.db2.gz SDBQWIRBFCXTGL-SNVBAGLBSA-N 1 0 273.292 2.546 20 5 CFBDRO CC(=O)c1cc(NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000519201162 265363170 /nfs/dbraw/zinc/36/31/70/265363170.db2.gz GQKPEJRLDZMITJ-GFCCVEGCSA-N 1 0 291.351 2.551 20 5 CFBDRO C[C@H](NC(=O)CCCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037766515 270226246 /nfs/dbraw/zinc/22/62/46/270226246.db2.gz IZLPLZBIURDPLV-LBPRGKRZSA-N 1 0 293.367 2.681 20 5 CFBDRO CCOc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000226571737 270257051 /nfs/dbraw/zinc/25/70/51/270257051.db2.gz PAWSHNMACBBQQI-AAEUAGOBSA-N 1 0 293.367 2.888 20 5 CFBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000514807504 270355247 /nfs/dbraw/zinc/35/52/47/270355247.db2.gz WAZAJBLXBBTENL-JTQLQIEISA-N 1 0 264.325 2.834 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1=CCOCC1 ZINC000516584026 270384585 /nfs/dbraw/zinc/38/45/85/270384585.db2.gz MIOVCENNRBRGQB-AWEZNQCLSA-N 1 0 274.320 2.518 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cnccn1 ZINC000530465183 270794574 /nfs/dbraw/zinc/79/45/74/270794574.db2.gz GGSVIKQOMLTCDJ-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO CC(C)[C@@H]([NH3+])CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423266230 273546022 /nfs/dbraw/zinc/54/60/22/273546022.db2.gz DGSUIZBLRWBZLH-GJZGRUSLSA-N 1 0 277.368 2.545 20 5 CFBDRO CC1(C)C[C@H](NC[C@@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339173 273589144 /nfs/dbraw/zinc/58/91/44/273589144.db2.gz ZHPXDAMBGVEGAF-CABCVRRESA-N 1 0 289.379 2.644 20 5 CFBDRO COC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579135 274012030 /nfs/dbraw/zinc/01/20/30/274012030.db2.gz JEONOPSEPJPGFO-AWEZNQCLSA-N 1 0 278.352 2.987 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191641131 274076193 /nfs/dbraw/zinc/07/61/93/274076193.db2.gz DQOKJJNODGZWPV-RWMBFGLXSA-N 1 0 280.368 2.929 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635642 274083586 /nfs/dbraw/zinc/08/35/86/274083586.db2.gz UZYZIUQVBWUVMU-CABCVRRESA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070177841 274291355 /nfs/dbraw/zinc/29/13/55/274291355.db2.gz XCNLGZVYACCRGY-QMTHXVAHSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332333557 274307254 /nfs/dbraw/zinc/30/72/54/274307254.db2.gz VJTFMKDNIPHCPZ-RLCCDNCMSA-N 1 0 289.379 2.560 20 5 CFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000339611010 274353087 /nfs/dbraw/zinc/35/30/87/274353087.db2.gz APKSCRGDANVCPM-PHIMTYICSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420191217 274360560 /nfs/dbraw/zinc/36/05/60/274360560.db2.gz HMBISLWFOKGITH-SSDOTTSWSA-N 1 0 290.150 2.700 20 5 CFBDRO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332261343 274418928 /nfs/dbraw/zinc/41/89/28/274418928.db2.gz FNVDTFXVNKKGTQ-KNXALSJPSA-N 1 0 289.379 2.702 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264640851 274709751 /nfs/dbraw/zinc/70/97/51/274709751.db2.gz VRKUGJVPTJKHIW-OAHLLOKOSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000312850465 274710783 /nfs/dbraw/zinc/71/07/83/274710783.db2.gz WCUJNYLQCWWMIC-GXSJLCMTSA-N 1 0 281.331 2.606 20 5 CFBDRO Cc1cc(N[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228486467 274720282 /nfs/dbraw/zinc/72/02/82/274720282.db2.gz ISRGCWJHYPOFTK-JTQLQIEISA-N 1 0 273.292 2.652 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000227888387 275033734 /nfs/dbraw/zinc/03/37/34/275033734.db2.gz XAZZAVIHOIAKSK-NXEZZACHSA-N 1 0 297.305 2.912 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000192452314 275040923 /nfs/dbraw/zinc/04/09/23/275040923.db2.gz RTVCDHFLEXHWSI-LLVKDONJSA-N 1 0 296.396 2.506 20 5 CFBDRO CC(C)(CO)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293143045 275550315 /nfs/dbraw/zinc/55/03/15/275550315.db2.gz SYJGCIWPAYMMOB-OAHLLOKOSA-N 1 0 292.379 2.524 20 5 CFBDRO CC(C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279097999 275555411 /nfs/dbraw/zinc/55/54/11/275555411.db2.gz OBUBFEFAXDEYFR-CYBMUJFWSA-N 1 0 278.352 2.678 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212662 275861012 /nfs/dbraw/zinc/86/10/12/275861012.db2.gz YHPPEKNSHQAFIL-IAQYHMDHSA-N 1 0 290.363 2.943 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000267279361 276073505 /nfs/dbraw/zinc/07/35/05/276073505.db2.gz UWFLSNLBCFGSDE-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000266227519 276120849 /nfs/dbraw/zinc/12/08/49/276120849.db2.gz SAGFMNMVJWUNFQ-JTQLQIEISA-N 1 0 298.774 2.564 20 5 CFBDRO CC[NH+]1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000038098034 276151818 /nfs/dbraw/zinc/15/18/18/276151818.db2.gz XWSFDMVPPNUKOH-GFCCVEGCSA-N 1 0 277.368 2.730 20 5 CFBDRO CCN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449065779 276151887 /nfs/dbraw/zinc/15/18/87/276151887.db2.gz WEOUBEHBNIVHRM-CYBMUJFWSA-N 1 0 291.395 2.600 20 5 CFBDRO CC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)COC1 ZINC000164367439 276168441 /nfs/dbraw/zinc/16/84/41/276168441.db2.gz GPJBZQHRWLHHMX-CQSZACIVSA-N 1 0 290.363 2.542 20 5 CFBDRO CCOC(=O)CC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343437549 276277095 /nfs/dbraw/zinc/27/70/95/276277095.db2.gz MWUGCQIOOATPOR-LLVKDONJSA-N 1 0 280.324 2.541 20 5 CFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000362975570 276419520 /nfs/dbraw/zinc/41/95/20/276419520.db2.gz GCFDCEHTHHQKRR-BXUZGUMPSA-N 1 0 266.341 2.746 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449754365 276467900 /nfs/dbraw/zinc/46/79/00/276467900.db2.gz JGLCKWCTAMHWQK-ZIAGYGMSSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357036 276520412 /nfs/dbraw/zinc/52/04/12/276520412.db2.gz NRDHZONRHNNDCG-TZMCWYRMSA-N 1 0 264.325 2.642 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000292476558 276831573 /nfs/dbraw/zinc/83/15/73/276831573.db2.gz LKQYMEIXOMSHCC-SNVBAGLBSA-N 1 0 283.759 2.779 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000277270200 276870928 /nfs/dbraw/zinc/87/09/28/276870928.db2.gz XVAZBOOGDLLZND-JTQLQIEISA-N 1 0 298.774 2.564 20 5 CFBDRO COC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229424 277315790 /nfs/dbraw/zinc/31/57/90/277315790.db2.gz NUMWEJVIQDGXGX-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO CC(C)=CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447599781 277326551 /nfs/dbraw/zinc/32/65/51/277326551.db2.gz KVIPLYUZXILPFY-QWHCGFSZSA-N 1 0 278.356 2.831 20 5 CFBDRO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332261341 278049892 /nfs/dbraw/zinc/04/98/92/278049892.db2.gz FNVDTFXVNKKGTQ-IUIKQTSFSA-N 1 0 289.379 2.702 20 5 CFBDRO C[C@@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278971941 278234921 /nfs/dbraw/zinc/23/49/21/278234921.db2.gz CFUCBVCXALWYKV-IINYFYTJSA-N 1 0 278.352 2.678 20 5 CFBDRO C[C@@H](CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279136510 278287886 /nfs/dbraw/zinc/28/78/86/278287886.db2.gz RNWKRPJZQDMXCU-QMTHXVAHSA-N 1 0 278.352 2.535 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCC1 ZINC000449304585 278298927 /nfs/dbraw/zinc/29/89/27/278298927.db2.gz ZKEPVZFLFKDZPS-WFASDCNBSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000300415762 278373718 /nfs/dbraw/zinc/37/37/18/278373718.db2.gz YWIFKUIKSSBFME-NQBHXWOUSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154604829 288049525 /nfs/dbraw/zinc/04/95/25/288049525.db2.gz XQPOBWLOLAWMRU-CABCVRRESA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000124001625 279280789 /nfs/dbraw/zinc/28/07/89/279280789.db2.gz ZIGGLOPFYCQIRZ-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301401595 279398591 /nfs/dbraw/zinc/39/85/91/279398591.db2.gz CIXZAPZFEUHBMD-QWHCGFSZSA-N 1 0 277.368 2.761 20 5 CFBDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000160069395 279462798 /nfs/dbraw/zinc/46/27/98/279462798.db2.gz QREKXAZVYDSBPL-LBPRGKRZSA-N 1 0 278.352 2.798 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2[NH+](C)C)n1 ZINC000362678307 280399755 /nfs/dbraw/zinc/39/97/55/280399755.db2.gz AZIQHIXFVJEKJW-NEPJUHHUSA-N 1 0 278.356 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000301211614 280665717 /nfs/dbraw/zinc/66/57/17/280665717.db2.gz WYTPOGILEQKANI-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191828366 280906346 /nfs/dbraw/zinc/90/63/46/280906346.db2.gz LFZLUIPSCNMYEA-STQMWFEESA-N 1 0 280.372 2.740 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214051000 280932288 /nfs/dbraw/zinc/93/22/88/280932288.db2.gz UZSCPUBWLZDWSV-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](C)O ZINC000453337182 280952139 /nfs/dbraw/zinc/95/21/39/280952139.db2.gz KZJNJJLGFPBDFF-LOWVWBTDSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186771244 281019564 /nfs/dbraw/zinc/01/95/64/281019564.db2.gz XGIPIDLMAFPYCH-GFCCVEGCSA-N 1 0 278.352 2.669 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248727034 281032139 /nfs/dbraw/zinc/03/21/39/281032139.db2.gz DLDNQNFVRBDUKO-SCDSUCTJSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000251022618 281071423 /nfs/dbraw/zinc/07/14/23/281071423.db2.gz WAARGZCURORSAC-STQMWFEESA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H]([NH2+]CCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000268959363 281118298 /nfs/dbraw/zinc/11/82/98/281118298.db2.gz FGXRPJDIODFAFY-LBPRGKRZSA-N 1 0 286.335 2.753 20 5 CFBDRO C[N@H+](CCc1cscn1)Cc1ccccc1[N+](=O)[O-] ZINC000284402559 281132127 /nfs/dbraw/zinc/13/21/27/281132127.db2.gz WOJNBNXKMDWFSJ-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596111 281138417 /nfs/dbraw/zinc/13/84/17/281138417.db2.gz FSPYNCVBLMNDLJ-QWRGUYRKSA-N 1 0 286.335 2.984 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000397816883 281202331 /nfs/dbraw/zinc/20/23/31/281202331.db2.gz RWBZMISEZHKQEX-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(C)C)CC1 ZINC000301654086 281259778 /nfs/dbraw/zinc/25/97/78/281259778.db2.gz UOSRTPXTOXBDPG-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000343608988 281260374 /nfs/dbraw/zinc/26/03/74/281260374.db2.gz LYRRRCNWYCGAJQ-ZIAGYGMSSA-N 1 0 289.379 2.966 20 5 CFBDRO COc1ccc(OCC[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000525275945 281313684 /nfs/dbraw/zinc/31/36/84/281313684.db2.gz CMMZGSPOXJJACW-UHFFFAOYSA-N 1 0 292.335 2.609 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531718353 281439840 /nfs/dbraw/zinc/43/98/40/281439840.db2.gz VXKLEQNQAXKVKJ-NVBFEUDRSA-N 1 0 280.368 2.961 20 5 CFBDRO COCC1([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000538550001 281555130 /nfs/dbraw/zinc/55/51/30/281555130.db2.gz QFYUZJKRLVWYJI-NSHDSACASA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000539055882 281565313 /nfs/dbraw/zinc/56/53/13/281565313.db2.gz MSESWUROBUBJJP-NSHDSACASA-N 1 0 288.351 2.796 20 5 CFBDRO C[C@H]([NH2+]C(C)(C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000545292310 281685027 /nfs/dbraw/zinc/68/50/27/281685027.db2.gz GMXWPKFQXXDSPI-NSHDSACASA-N 1 0 288.351 2.914 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000312302840 290016387 /nfs/dbraw/zinc/01/63/87/290016387.db2.gz XGGOQVSAPLZHHZ-SNVBAGLBSA-N 1 0 279.315 2.630 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296781893 290060502 /nfs/dbraw/zinc/06/05/02/290060502.db2.gz QFXPAWONPGXSDL-DEKYYXRVSA-N 1 0 264.325 2.811 20 5 CFBDRO CC1(C)CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000563735409 290172076 /nfs/dbraw/zinc/17/20/76/290172076.db2.gz YLDJVYGWBQXQPI-LBPRGKRZSA-N 1 0 280.372 2.740 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000564840658 290239233 /nfs/dbraw/zinc/23/92/33/290239233.db2.gz RRBZJMNHWMGLMZ-XYPYZODXSA-N 1 0 282.315 2.878 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302817559 290244245 /nfs/dbraw/zinc/24/42/45/290244245.db2.gz MQZNIRAXWALJOB-YPMHNXCESA-N 1 0 293.342 2.654 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000565046320 290262871 /nfs/dbraw/zinc/26/28/71/290262871.db2.gz CITNVDPQBJJRIF-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000565052842 290263586 /nfs/dbraw/zinc/26/35/86/290263586.db2.gz UMLVCNVIJMFIPC-SECBINFHSA-N 1 0 276.340 2.995 20 5 CFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425282337 290281095 /nfs/dbraw/zinc/28/10/95/290281095.db2.gz KTJRPEVFPHZCKQ-IINYFYTJSA-N 1 0 295.770 2.779 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(CO)CC1 ZINC000565404603 290298917 /nfs/dbraw/zinc/29/89/17/290298917.db2.gz XSQOYBJALCIWFQ-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO CC[C@](C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000565434906 290301581 /nfs/dbraw/zinc/30/15/81/290301581.db2.gz WQLHJVXZJLOJHZ-DZGCQCFKSA-N 1 0 278.352 2.987 20 5 CFBDRO COc1ccc(OCC[N@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000566184292 290356707 /nfs/dbraw/zinc/35/67/07/290356707.db2.gz KUXUVALYHYQPCX-UHFFFAOYSA-N 1 0 282.340 2.713 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)O1 ZINC000566475153 290391236 /nfs/dbraw/zinc/39/12/36/290391236.db2.gz KQYNWHXMOJFEQX-NWJSVONSSA-N 1 0 290.363 2.985 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178668185 293006807 /nfs/dbraw/zinc/00/68/07/293006807.db2.gz VWBWWGOKMIFPIH-IUODEOHRSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000168946322 524291379 /nfs/dbraw/zinc/29/13/79/524291379.db2.gz MWZNZCAUJOYOTP-MRVPVSSYSA-N 1 0 257.721 2.610 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000168962120 322390045 /nfs/dbraw/zinc/39/00/45/322390045.db2.gz XYFCMYOOAMBRPA-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000570429477 322532421 /nfs/dbraw/zinc/53/24/21/322532421.db2.gz IYDSGXIGDYFWDN-AWEZNQCLSA-N 1 0 289.379 2.729 20 5 CFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571178478 322574016 /nfs/dbraw/zinc/57/40/16/322574016.db2.gz FJBCUFVGVLIDHS-JMSVASOKSA-N 1 0 290.363 2.844 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000573933765 322674599 /nfs/dbraw/zinc/67/45/99/322674599.db2.gz JQTKYNZYCYOVGZ-NHYWBVRUSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000183040724 323896272 /nfs/dbraw/zinc/89/62/72/323896272.db2.gz OJPZAOPTGWOCDQ-NEPJUHHUSA-N 1 0 293.367 2.948 20 5 CFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H](C)C1CCCCC1 ZINC000185503274 323966945 /nfs/dbraw/zinc/96/69/45/323966945.db2.gz UTPSZMZJIMSUTO-QWHCGFSZSA-N 1 0 294.399 2.986 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000395161967 324540531 /nfs/dbraw/zinc/54/05/31/324540531.db2.gz DSVZBMURYJVBAO-CQSZACIVSA-N 1 0 278.352 2.626 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000576101175 324577456 /nfs/dbraw/zinc/57/74/56/324577456.db2.gz UAIWIGKIHBTBFM-MELADBBJSA-N 1 0 264.325 2.813 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000579638600 324967609 /nfs/dbraw/zinc/96/76/09/324967609.db2.gz AZSAUSQSWBRSPK-CYBMUJFWSA-N 1 0 292.335 2.740 20 5 CFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580963458 325078768 /nfs/dbraw/zinc/07/87/68/325078768.db2.gz RQGNVEVYWJHLJJ-FZMZJTMJSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000581617822 325137573 /nfs/dbraw/zinc/13/75/73/325137573.db2.gz FNRILTWRJUGJOQ-GYSYKLTISA-N 1 0 276.336 2.739 20 5 CFBDRO C[NH+](C)CC(C)(C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584123727 325332705 /nfs/dbraw/zinc/33/27/05/325332705.db2.gz GYWGGBDMHWZIFR-AWEZNQCLSA-N 1 0 291.395 2.760 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCCC[C@@H]1CO ZINC000828710611 782102584 /nfs/dbraw/zinc/10/25/84/782102584.db2.gz OFAPQFDKIUYSRB-PMGBHYCQSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423174442 533836615 /nfs/dbraw/zinc/83/66/15/533836615.db2.gz ARGNLJYCZLHMPF-LBPRGKRZSA-N 1 0 277.368 2.907 20 5 CFBDRO Cc1c([C@@H](C)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272259 533943553 /nfs/dbraw/zinc/94/35/53/533943553.db2.gz JTOMMWNOKNCPJU-DGCLKSJQSA-N 1 0 265.357 2.537 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC1(O)CCC1 ZINC000421383113 534254543 /nfs/dbraw/zinc/25/45/43/534254543.db2.gz LMSMAFWFCKEFJA-ZDUSSCGKSA-N 1 0 292.379 2.811 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OCC[NH+]1CCCCC1 ZINC000061570320 518292521 /nfs/dbraw/zinc/29/25/21/518292521.db2.gz SXOBEDVJQACHGB-UHFFFAOYSA-N 1 0 292.335 2.662 20 5 CFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339367812 519371588 /nfs/dbraw/zinc/37/15/88/519371588.db2.gz UAEBMLKNOLASJG-NSHDSACASA-N 1 0 276.296 2.691 20 5 CFBDRO CC(C)CCOCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049265984 519668867 /nfs/dbraw/zinc/66/88/67/519668867.db2.gz QRNAIJSVDYZVKN-UHFFFAOYSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361481219 520371017 /nfs/dbraw/zinc/37/10/17/520371017.db2.gz KLJIMDUMOVCXTL-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000313288562 520556326 /nfs/dbraw/zinc/55/63/26/520556326.db2.gz FKVSXKYKIYCHRH-LLVKDONJSA-N 1 0 282.315 2.781 20 5 CFBDRO CCOc1cc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000166897729 520762816 /nfs/dbraw/zinc/76/28/16/520762816.db2.gz AFYOPFFDHQVLLY-LLVKDONJSA-N 1 0 279.340 2.548 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000195527349 520984596 /nfs/dbraw/zinc/98/45/96/520984596.db2.gz KDSJQFLSPQPDTC-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO CC1CC[NH+](CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000312295348 521017315 /nfs/dbraw/zinc/01/73/15/521017315.db2.gz VOMLXPWMSSILRY-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO [NH3+]C1(CNCc2csc([N+](=O)[O-])c2)CCCCCC1 ZINC000414862145 534549316 /nfs/dbraw/zinc/54/93/16/534549316.db2.gz UYDBLNWEFUVIAF-UHFFFAOYSA-N 1 0 283.397 2.798 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000170915603 522063001 /nfs/dbraw/zinc/06/30/01/522063001.db2.gz WLAOMRBJIPJPQK-LLVKDONJSA-N 1 0 252.314 2.704 20 5 CFBDRO CC(C)(C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000452070707 534632074 /nfs/dbraw/zinc/63/20/74/534632074.db2.gz GMLCOBYNHSOPPR-LBPRGKRZSA-N 1 0 280.372 2.549 20 5 CFBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000064021443 522520228 /nfs/dbraw/zinc/52/02/28/522520228.db2.gz XKRGNBFUZSITPJ-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366083155 523829760 /nfs/dbraw/zinc/82/97/60/523829760.db2.gz JPDBVAIODSKWIH-OLZOCXBDSA-N 1 0 293.342 2.797 20 5 CFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000341264738 523979840 /nfs/dbraw/zinc/97/98/40/523979840.db2.gz PZWKOQLNMHQVQL-MNOVXSKESA-N 1 0 270.354 2.561 20 5 CFBDRO C[C@H](CO)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361483456 524545399 /nfs/dbraw/zinc/54/53/99/524545399.db2.gz DOBAGOOOQUNIFV-LLVKDONJSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000227372369 524577295 /nfs/dbraw/zinc/57/72/95/524577295.db2.gz VCKZRIGBDLQGLI-ZDUSSCGKSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230313722 524599590 /nfs/dbraw/zinc/59/95/90/524599590.db2.gz SGAFSKBEYWASCH-UKRRQHHQSA-N 1 0 276.336 2.560 20 5 CFBDRO C[C@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000227890846 524811917 /nfs/dbraw/zinc/81/19/17/524811917.db2.gz MUKWHVUZGVFQSC-IUCAKERBSA-N 1 0 285.294 2.768 20 5 CFBDRO Cc1cc(NCC[N@H+]2CC=CCC2)c(F)cc1[N+](=O)[O-] ZINC000360070042 525268855 /nfs/dbraw/zinc/26/88/55/525268855.db2.gz GPXMFACBKMXQBL-UHFFFAOYSA-N 1 0 279.315 2.716 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000049568939 525320397 /nfs/dbraw/zinc/32/03/97/525320397.db2.gz KDFLBEGQSNNZFR-UONOGXRCSA-N 1 0 275.352 2.942 20 5 CFBDRO CSC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000235287015 525332797 /nfs/dbraw/zinc/33/27/97/525332797.db2.gz CGMBDWRPJPSNRN-UHFFFAOYSA-N 1 0 266.366 2.888 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000340246055 525369249 /nfs/dbraw/zinc/36/92/49/525369249.db2.gz HIULYHJRAQAPNG-SWLSCSKDSA-N 1 0 278.352 2.685 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C ZINC000174415819 525459157 /nfs/dbraw/zinc/45/91/57/525459157.db2.gz HQEYTNSBACTJNI-SNVBAGLBSA-N 1 0 250.298 2.588 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000340321319 525465219 /nfs/dbraw/zinc/46/52/19/525465219.db2.gz AYAMLQLZFLAEQF-SMDDNHRTSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000166306902 525492576 /nfs/dbraw/zinc/49/25/76/525492576.db2.gz FNDHIPITEZMHDU-IAQYHMDHSA-N 1 0 277.368 2.586 20 5 CFBDRO CSCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361584899 525498181 /nfs/dbraw/zinc/49/81/81/525498181.db2.gz OLUFQQVOYBHVJR-JTQLQIEISA-N 1 0 254.355 2.951 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000056196953 525613763 /nfs/dbraw/zinc/61/37/63/525613763.db2.gz YVVGSAMRNBFGBD-WDEREUQCSA-N 1 0 293.367 2.549 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000222625153 525624116 /nfs/dbraw/zinc/62/41/16/525624116.db2.gz RQKHKTPWAKGNOU-NZVBXONLSA-N 1 0 276.336 2.813 20 5 CFBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000305143719 525641855 /nfs/dbraw/zinc/64/18/55/525641855.db2.gz MXXCMPZXDUBTOE-NWDGAFQWSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000228039641 525725746 /nfs/dbraw/zinc/72/57/46/525725746.db2.gz FIUZTAPARLZTTN-NWDGAFQWSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000361396187 525732063 /nfs/dbraw/zinc/73/20/63/525732063.db2.gz FFCRWLBCOOBHAF-DOMZBBRYSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339392168 525820564 /nfs/dbraw/zinc/82/05/64/525820564.db2.gz LZRAJYRDKWLYQM-LLVKDONJSA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000088719020 526060477 /nfs/dbraw/zinc/06/04/77/526060477.db2.gz CEZWYMMDZNLYJT-LLVKDONJSA-N 1 0 263.341 2.798 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)n1 ZINC000360668068 526062717 /nfs/dbraw/zinc/06/27/17/526062717.db2.gz CYTKLOBIYWDPQP-STQMWFEESA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339396934 526066710 /nfs/dbraw/zinc/06/67/10/526066710.db2.gz PZLUNTHLXRPOPI-LBPRGKRZSA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883743 526495005 /nfs/dbraw/zinc/49/50/05/526495005.db2.gz XBIWTGOOEBWAGF-UHFFFAOYSA-N 1 0 274.324 2.533 20 5 CFBDRO CC(C)([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414809988 527256985 /nfs/dbraw/zinc/25/69/85/527256985.db2.gz WFBIZIGAGJZSMT-UHFFFAOYSA-N 1 0 289.335 2.682 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCS2)cs1 ZINC000087473161 527331759 /nfs/dbraw/zinc/33/17/59/527331759.db2.gz JENYMKKETBNSHJ-SECBINFHSA-N 1 0 258.368 2.642 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)C1CCC1 ZINC000221204270 527332566 /nfs/dbraw/zinc/33/25/66/527332566.db2.gz IFEYEBJEMKIQTG-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000050443922 527333357 /nfs/dbraw/zinc/33/33/57/527333357.db2.gz AXQMCLXWARSBSM-LBPRGKRZSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c2ccncc21 ZINC000166869928 527365609 /nfs/dbraw/zinc/36/56/09/527365609.db2.gz HPVORVXDGZECND-LLVKDONJSA-N 1 0 286.335 2.697 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000166840490 527365672 /nfs/dbraw/zinc/36/56/72/527365672.db2.gz AOALISQOSXUNTA-SECBINFHSA-N 1 0 269.732 2.802 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000157951873 527387090 /nfs/dbraw/zinc/38/70/90/527387090.db2.gz BZUDRQUCQUTBIT-ZDUSSCGKSA-N 1 0 266.366 2.970 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000236046442 527388620 /nfs/dbraw/zinc/38/86/20/527388620.db2.gz PRNZVIHNZSNFAB-OCCSQVGLSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CCC3)CC2)c1 ZINC000367518880 527394738 /nfs/dbraw/zinc/39/47/38/527394738.db2.gz KRUQQSDMGIRPOU-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CO)CCCC1 ZINC000304827420 527397321 /nfs/dbraw/zinc/39/73/21/527397321.db2.gz GZAZWNIQIHQNKC-FNORWQNLSA-N 1 0 276.336 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](CO)c2ccccc21 ZINC000364991808 527400611 /nfs/dbraw/zinc/40/06/11/527400611.db2.gz LRYZSBCSYRSWEC-CJNGLKHVSA-N 1 0 298.342 2.905 20 5 CFBDRO [NH3+][C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000157386810 527419316 /nfs/dbraw/zinc/41/93/16/527419316.db2.gz KHKJECDOFVEWJM-JKSUJKDBSA-N 1 0 283.331 2.829 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361538166 527488553 /nfs/dbraw/zinc/48/85/53/527488553.db2.gz AHQVNPHENWFNFA-LLVKDONJSA-N 1 0 280.372 2.586 20 5 CFBDRO CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175136706 527854586 /nfs/dbraw/zinc/85/45/86/527854586.db2.gz LBHLRQHNDVVXFC-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO CCC[N@H+](CC)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153887765 527981502 /nfs/dbraw/zinc/98/15/02/527981502.db2.gz QJVNWOPCXFQJLX-UHFFFAOYSA-N 1 0 286.763 2.787 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425956905 528095226 /nfs/dbraw/zinc/09/52/26/528095226.db2.gz GJNAUKNUNZEQNB-OCCSQVGLSA-N 1 0 292.379 2.921 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120158023 528100758 /nfs/dbraw/zinc/10/07/58/528100758.db2.gz ONTLBXJORIKLIK-HNNXBMFYSA-N 1 0 278.352 2.987 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449778670 536528957 /nfs/dbraw/zinc/52/89/57/536528957.db2.gz SIZUDJTZJHUEHV-ZDUSSCGKSA-N 1 0 278.352 2.843 20 5 CFBDRO CCC[C@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423241654 528225689 /nfs/dbraw/zinc/22/56/89/528225689.db2.gz VARZMTAMIVTIGN-HIFRSBDPSA-N 1 0 277.368 2.778 20 5 CFBDRO CCC[NH2+]CCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414867831 528514924 /nfs/dbraw/zinc/51/49/24/528514924.db2.gz JKZGYSSWJQSKKZ-CYBMUJFWSA-N 1 0 279.384 2.505 20 5 CFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000173520576 528573738 /nfs/dbraw/zinc/57/37/38/528573738.db2.gz RPELMOXBPIWNGR-UHFFFAOYSA-N 1 0 296.367 2.960 20 5 CFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414656248 528653196 /nfs/dbraw/zinc/65/31/96/528653196.db2.gz IGOGPTYDTQLLRG-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CCCC[C@@H](C[NH3+])N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298277 528823320 /nfs/dbraw/zinc/82/33/20/528823320.db2.gz NWYOCMUPIBIVFR-YPMHNXCESA-N 1 0 265.357 2.763 20 5 CFBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414665234 528944259 /nfs/dbraw/zinc/94/42/59/528944259.db2.gz UXUCKAZGDLTGDN-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CCC([NH3+])(CC)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414805356 528948513 /nfs/dbraw/zinc/94/85/13/528948513.db2.gz ORFPFAUPYZCGIG-UHFFFAOYSA-N 1 0 265.357 2.510 20 5 CFBDRO CC1(C)CCC[NH2+][C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000414920903 528948675 /nfs/dbraw/zinc/94/86/75/528948675.db2.gz AMZPCFRZHNBOPU-CQSZACIVSA-N 1 0 295.358 2.602 20 5 CFBDRO CCCC[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414813516 528954248 /nfs/dbraw/zinc/95/42/48/528954248.db2.gz MNZSTPWSVGKOPZ-LLVKDONJSA-N 1 0 285.775 2.855 20 5 CFBDRO CCCC[C@H](C[NH3+])NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414808733 528954723 /nfs/dbraw/zinc/95/47/23/528954723.db2.gz FTJAEZJOPXQXGT-CYBMUJFWSA-N 1 0 265.357 2.510 20 5 CFBDRO CC[C@@H](NC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275657 529173335 /nfs/dbraw/zinc/17/33/35/529173335.db2.gz NHMBMWHNAIDZMX-ZIAGYGMSSA-N 1 0 265.357 2.619 20 5 CFBDRO CC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000422087918 529231795 /nfs/dbraw/zinc/23/17/95/529231795.db2.gz RJXNGRFXJPQWEF-CYBMUJFWSA-N 1 0 290.319 2.715 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173293936 529343596 /nfs/dbraw/zinc/34/35/96/529343596.db2.gz AYMUOJMWUSPGHA-LLVKDONJSA-N 1 0 282.340 2.713 20 5 CFBDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449185960 534931769 /nfs/dbraw/zinc/93/17/69/534931769.db2.gz BMPDYSYQDFYBCU-KGLIPLIRSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219239450 535182425 /nfs/dbraw/zinc/18/24/25/535182425.db2.gz BWJOAKZKLRFCBE-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000355372267 535259632 /nfs/dbraw/zinc/25/96/32/535259632.db2.gz UYKCQLBHJOYWFO-HNNXBMFYSA-N 1 0 295.358 2.506 20 5 CFBDRO CCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])COC1 ZINC000449604068 535298520 /nfs/dbraw/zinc/29/85/20/535298520.db2.gz JBDTVTVNRXMJCH-GFCCVEGCSA-N 1 0 278.352 2.542 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000265524113 535651484 /nfs/dbraw/zinc/65/14/84/535651484.db2.gz MMGXDLNKTDZGLB-VIFPVBQESA-N 1 0 286.763 2.785 20 5 CFBDRO CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435622710 535790073 /nfs/dbraw/zinc/79/00/73/535790073.db2.gz AEDDRASREPLNII-AWEZNQCLSA-N 1 0 277.368 2.559 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268929226 536001240 /nfs/dbraw/zinc/00/12/40/536001240.db2.gz ZAUSBTCFGHZXRB-JVLSTEMRSA-N 1 0 280.368 2.961 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000436407990 536810331 /nfs/dbraw/zinc/81/03/31/536810331.db2.gz LLWXKGRJGKLNJZ-ZYHUDNBSSA-N 1 0 294.351 2.890 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753850964 574051579 /nfs/dbraw/zinc/05/15/79/574051579.db2.gz QHYSXMBCDJAVSY-JTQLQIEISA-N 1 0 288.307 2.629 20 5 CFBDRO Cc1ccc(NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000754062173 574067712 /nfs/dbraw/zinc/06/77/12/574067712.db2.gz YAUAZJIWMQEIGP-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO COC(=O)C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000754539303 574106974 /nfs/dbraw/zinc/10/69/74/574106974.db2.gz NVIAMBWPUZLKBO-ZWNOBZJWSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1c(C(=O)OCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000755412851 574160954 /nfs/dbraw/zinc/16/09/54/574160954.db2.gz HZLOYVATMDVWER-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000746754982 574165367 /nfs/dbraw/zinc/16/53/67/574165367.db2.gz NXUPESVHNXHGQH-ZIAGYGMSSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000740881424 574272247 /nfs/dbraw/zinc/27/22/47/574272247.db2.gz BAAXAGXFLQERFM-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[C@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755879779 574357948 /nfs/dbraw/zinc/35/79/48/574357948.db2.gz JRURKIYQZQPAKN-ZDUSSCGKSA-N 1 0 277.368 2.763 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000743652792 574370328 /nfs/dbraw/zinc/37/03/28/574370328.db2.gz DZDZDVKDIWNMFG-SECBINFHSA-N 1 0 275.135 2.878 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CC3)CC2)cc1 ZINC000743835681 574373223 /nfs/dbraw/zinc/37/32/23/574373223.db2.gz HOJTXCNWWIHOEF-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C[NH3+] ZINC000261935815 618114516 /nfs/dbraw/zinc/11/45/16/618114516.db2.gz MAHSBRBJCWJHLP-YGRLFVJLSA-N 1 0 297.786 2.807 20 5 CFBDRO Cc1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804813220 617895797 /nfs/dbraw/zinc/89/57/97/617895797.db2.gz PSOCSVXFKLYIGC-UONOGXRCSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804811996 617895952 /nfs/dbraw/zinc/89/59/52/617895952.db2.gz CDOFZAXRYUJOLI-ZFWWWQNUSA-N 1 0 289.379 2.966 20 5 CFBDRO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC1CC1 ZINC000892035331 617920643 /nfs/dbraw/zinc/92/06/43/617920643.db2.gz GRTYFWIDMFWENR-UHFFFAOYSA-N 1 0 280.324 2.541 20 5 CFBDRO COc1c(O)ccc(C[NH+]2[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000892223922 618013257 /nfs/dbraw/zinc/01/32/57/618013257.db2.gz NPERETPSXYQMBT-NXEZZACHSA-N 1 0 280.324 2.682 20 5 CFBDRO C[C@H](CNc1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000235457872 618116686 /nfs/dbraw/zinc/11/66/86/618116686.db2.gz HDJZNJXLRASNPY-SSDOTTSWSA-N 1 0 275.711 2.749 20 5 CFBDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000050371321 618116986 /nfs/dbraw/zinc/11/69/86/618116986.db2.gz LGLPLSYYLSAEMG-JSGCOSHPSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCSC1 ZINC000167454127 618382182 /nfs/dbraw/zinc/38/21/82/618382182.db2.gz NYDHKGMIKHNOEX-LBPRGKRZSA-N 1 0 266.366 2.623 20 5 CFBDRO CC[C@@](C)([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901394529 620804228 /nfs/dbraw/zinc/80/42/28/620804228.db2.gz IVRCIXXJNUFWSW-CYBMUJFWSA-N 1 0 261.281 2.834 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2CCCC2)c1[N+](=O)[O-] ZINC000892510272 618434106 /nfs/dbraw/zinc/43/41/06/618434106.db2.gz IPNABOFWVKLLDA-UHFFFAOYSA-N 1 0 280.324 2.589 20 5 CFBDRO [NH3+]CCCCc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396761 620805479 /nfs/dbraw/zinc/80/54/79/620805479.db2.gz XQUAEEAGQAWDRW-UHFFFAOYSA-N 1 0 261.281 2.531 20 5 CFBDRO C[C@H]1CC[N@H+](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893354344 618459131 /nfs/dbraw/zinc/45/91/31/618459131.db2.gz JGMSPNVVPJWZQB-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO CC1=NO[C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000895311020 618527147 /nfs/dbraw/zinc/52/71/47/618527147.db2.gz MPHSGCZBMDAFLT-ZDUSSCGKSA-N 1 0 291.351 2.973 20 5 CFBDRO CC[C@@H](C)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895334290 618536885 /nfs/dbraw/zinc/53/68/85/618536885.db2.gz PJRCBBDIHOXMQQ-SNVBAGLBSA-N 1 0 282.340 2.835 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000895390897 618563705 /nfs/dbraw/zinc/56/37/05/618563705.db2.gz CBNBHHKLKYMAKB-LLVKDONJSA-N 1 0 280.324 2.587 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000895450839 618593353 /nfs/dbraw/zinc/59/33/53/618593353.db2.gz PKQRYCQEEFDKMN-UHFFFAOYSA-N 1 0 294.351 2.977 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC(C)(C)C)c1[N+](=O)[O-] ZINC000892522138 618606809 /nfs/dbraw/zinc/60/68/09/618606809.db2.gz QUFCOLQAIPWELG-UHFFFAOYSA-N 1 0 282.340 2.835 20 5 CFBDRO COC1CCC(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000893066464 618818886 /nfs/dbraw/zinc/81/88/86/618818886.db2.gz IYTWDODCCCCWEI-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO COC/C(C)=C/C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000930594655 618880987 /nfs/dbraw/zinc/88/09/87/618880987.db2.gz NNJJFPWJWRLMBB-OBIHZWKSSA-N 1 0 264.325 2.838 20 5 CFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677232 619154191 /nfs/dbraw/zinc/15/41/91/619154191.db2.gz RCLAPXHPXVRWRF-CMPLNLGQSA-N 1 0 294.351 2.929 20 5 CFBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841694923 619168592 /nfs/dbraw/zinc/16/85/92/619168592.db2.gz YRGYRWYEAITYCN-OLZOCXBDSA-N 1 0 280.372 2.895 20 5 CFBDRO [NH3+]C1(c2noc(-c3cccc(Cl)c3[N+](=O)[O-])n2)CCC1 ZINC000261662249 619194123 /nfs/dbraw/zinc/19/41/23/619194123.db2.gz FSMICKABQAGRHR-UHFFFAOYSA-N 1 0 294.698 2.636 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000726595700 619253260 /nfs/dbraw/zinc/25/32/60/619253260.db2.gz ZRLYWQVISBQPQY-UHFFFAOYSA-N 1 0 296.327 2.645 20 5 CFBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000894390498 619364437 /nfs/dbraw/zinc/36/44/37/619364437.db2.gz DDCCKLFILTYDLD-UHFFFAOYSA-N 1 0 290.319 2.871 20 5 CFBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3F)C[C@@]2(C)C1 ZINC000894797028 619468640 /nfs/dbraw/zinc/46/86/40/619468640.db2.gz HWPCFVLTRNEXPT-GASCZTMLSA-N 1 0 293.342 2.512 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+](C)C)CC2)c1 ZINC000894849694 619483022 /nfs/dbraw/zinc/48/30/22/619483022.db2.gz QXACGKBLECVZOE-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CCCN(c2cc[nH+]cc2)CC1 ZINC000894996431 619524384 /nfs/dbraw/zinc/52/43/84/619524384.db2.gz FMSNUCRPWJNLQR-UHFFFAOYSA-N 1 0 298.346 2.707 20 5 CFBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000895769767 619603191 /nfs/dbraw/zinc/60/31/91/619603191.db2.gz IAVXFCLHOJOWBN-GFCCVEGCSA-N 1 0 293.367 2.888 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000896863319 619848165 /nfs/dbraw/zinc/84/81/65/619848165.db2.gz VKVIQZIHJUUNRF-CMPLNLGQSA-N 1 0 288.269 2.925 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)C2CC2)c1[N+](=O)[O-] ZINC000897438447 620171182 /nfs/dbraw/zinc/17/11/82/620171182.db2.gz VPVMAZVYEFDZJO-UHFFFAOYSA-N 1 0 294.351 2.835 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460117 620176314 /nfs/dbraw/zinc/17/63/14/620176314.db2.gz QCUIVKLMYGKNPK-QJPTWQEYSA-N 1 0 266.341 2.711 20 5 CFBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000897461726 620176871 /nfs/dbraw/zinc/17/68/71/620176871.db2.gz WNUYQVFJXZXPRJ-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897464840 620177057 /nfs/dbraw/zinc/17/70/57/620177057.db2.gz PFGTUEQHPWSKJM-AGIUHOORSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+]C[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465793 620177062 /nfs/dbraw/zinc/17/70/62/620177062.db2.gz IINJJDGUMKNQAD-OLZOCXBDSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H](C[NH2+]C[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465792 620177216 /nfs/dbraw/zinc/17/72/16/620177216.db2.gz IINJJDGUMKNQAD-CHWSQXEVSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000925310699 620243591 /nfs/dbraw/zinc/24/35/91/620243591.db2.gz OYTVVDGICAJULL-GDBMZVCRSA-N 1 0 290.363 2.890 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000841756345 620249865 /nfs/dbraw/zinc/24/98/65/620249865.db2.gz VEKFDNOLSNOSAI-DGCLKSJQSA-N 1 0 295.383 2.889 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC12CC(O)C2 ZINC000897846718 620292949 /nfs/dbraw/zinc/29/29/49/620292949.db2.gz UVWRNTIHAIQUAE-BZBPOLERSA-N 1 0 288.347 2.501 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1[N+](=O)[O-] ZINC000897957694 620311264 /nfs/dbraw/zinc/31/12/64/620311264.db2.gz DPESCLXTPOUQMG-MVWJERBFSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897984816 620318294 /nfs/dbraw/zinc/31/82/94/620318294.db2.gz HJAPZXISOYDHHD-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](CO)C1)CCCC2 ZINC000927143288 620490443 /nfs/dbraw/zinc/49/04/43/620490443.db2.gz GFFDXLRPDZAJGT-AXAPSJFSSA-N 1 0 290.363 2.723 20 5 CFBDRO CC[C@@H](NC[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428950 621075887 /nfs/dbraw/zinc/07/58/87/621075887.db2.gz INPCPBHDCUXOGG-CFVMTHIKSA-N 1 0 291.395 2.819 20 5 CFBDRO CC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902464573 621098319 /nfs/dbraw/zinc/09/83/19/621098319.db2.gz AKFDOPBWERVNBS-SPWCGHHHSA-N 1 0 275.352 2.528 20 5 CFBDRO CCC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902467825 621100060 /nfs/dbraw/zinc/10/00/60/621100060.db2.gz QKTKUPSSTOXYTP-LCGIIJARSA-N 1 0 289.379 2.919 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN1C(C)C ZINC000902680707 621147411 /nfs/dbraw/zinc/14/74/11/621147411.db2.gz RFJFICKMDJUSHI-ZDUSSCGKSA-N 1 0 292.335 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)CC[NH2+]C(C)(C)C ZINC000902680789 621147470 /nfs/dbraw/zinc/14/74/70/621147470.db2.gz UVLKYJLNUJYCTF-UHFFFAOYSA-N 1 0 280.324 2.587 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903083348 621246199 /nfs/dbraw/zinc/24/61/99/621246199.db2.gz FOMXSUWVHDMRJC-RISCZKNCSA-N 1 0 296.367 2.661 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903069660 621249711 /nfs/dbraw/zinc/24/97/11/621249711.db2.gz YBFJODCPHGISBG-NSHDSACASA-N 1 0 282.340 2.681 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)C ZINC000903100385 621252605 /nfs/dbraw/zinc/25/26/05/621252605.db2.gz RIAQISDMBYVLOY-ABAIWWIYSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903103074 621253899 /nfs/dbraw/zinc/25/38/99/621253899.db2.gz DIKQFJJIQFEJLB-WOPDTQHZSA-N 1 0 294.351 2.679 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096785 621259194 /nfs/dbraw/zinc/25/91/94/621259194.db2.gz KRDKUNSYVCXNGG-RWSFTLGLSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096786 621259314 /nfs/dbraw/zinc/25/93/14/621259314.db2.gz KRDKUNSYVCXNGG-ZIBATOQPSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119841 621260748 /nfs/dbraw/zinc/26/07/48/621260748.db2.gz KNFMJSWRLIYCBM-FZMZJTMJSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903178318 621275899 /nfs/dbraw/zinc/27/58/99/621275899.db2.gz GGAXCTYTNMQYMC-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000903246406 621295175 /nfs/dbraw/zinc/29/51/75/621295175.db2.gz UQUCKMNJBLNVOY-VXGBXAGGSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903247631 621305200 /nfs/dbraw/zinc/30/52/00/621305200.db2.gz WSHSIWDPQHIMRF-NRWUCQMLSA-N 1 0 278.352 2.711 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903436158 621374452 /nfs/dbraw/zinc/37/44/52/621374452.db2.gz HOEQJFOZDZMHQB-VQISRLSMSA-N 1 0 276.336 2.670 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903437994 621375391 /nfs/dbraw/zinc/37/53/91/621375391.db2.gz RORVTLISDZZLEX-CQDKDKBSSA-N 1 0 290.363 2.979 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557451 621397150 /nfs/dbraw/zinc/39/71/50/621397150.db2.gz OHLNDSKUUKNVFB-RISCZKNCSA-N 1 0 277.368 2.633 20 5 CFBDRO Cc1ccc(CN2CCC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903799141 621444302 /nfs/dbraw/zinc/44/43/02/621444302.db2.gz BOYVCTBFDJZNGS-GDBMZVCRSA-N 1 0 289.379 2.607 20 5 CFBDRO C[C@@H](NCC[NH2+]C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000903988166 621499518 /nfs/dbraw/zinc/49/95/18/621499518.db2.gz ONSBRHYRYOOHLG-LLVKDONJSA-N 1 0 265.357 2.634 20 5 CFBDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905119536 621703176 /nfs/dbraw/zinc/70/31/76/621703176.db2.gz GSPWRZXWHRWMQB-LBPRGKRZSA-N 1 0 256.733 2.527 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000905209241 621724095 /nfs/dbraw/zinc/72/40/95/621724095.db2.gz QFEAEGGIEJNTGZ-UHFFFAOYSA-N 1 0 283.331 2.661 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000905279983 621737374 /nfs/dbraw/zinc/73/73/74/621737374.db2.gz LNGAFSGVXUHZCW-WCQYABFASA-N 1 0 268.744 2.842 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000905289836 621738416 /nfs/dbraw/zinc/73/84/16/621738416.db2.gz KGLRBGWILRZSBC-AEGPPILISA-N 1 0 262.353 2.825 20 5 CFBDRO Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1[N+](=O)[O-] ZINC000906174017 621944260 /nfs/dbraw/zinc/94/42/60/621944260.db2.gz VNOQXGTWTXWCGF-ZDUSSCGKSA-N 1 0 284.319 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906173086 621944470 /nfs/dbraw/zinc/94/44/70/621944470.db2.gz XUOYVGAMQMKSLC-GFCCVEGCSA-N 1 0 284.319 2.519 20 5 CFBDRO C[C@@H]([NH2+]CCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000224010106 622996825 /nfs/dbraw/zinc/99/68/25/622996825.db2.gz AKCIUJMLEJABIT-GFCCVEGCSA-N 1 0 266.341 2.798 20 5 CFBDRO Cc1c(C[NH2+]CCCOCC2CC2)cccc1[N+](=O)[O-] ZINC000225779751 623050001 /nfs/dbraw/zinc/05/00/01/623050001.db2.gz ZSEUOWYPHGYSPQ-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1c(C[NH2+]C2(C)CCOCC2)cccc1[N+](=O)[O-] ZINC000229899741 623231643 /nfs/dbraw/zinc/23/16/43/623231643.db2.gz MKQJZSWKCZRMNX-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230164530 623259848 /nfs/dbraw/zinc/25/98/48/623259848.db2.gz NUPFZBGWZRGQLL-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000230669882 623289548 /nfs/dbraw/zinc/28/95/48/623289548.db2.gz ANLNDLNCQVXMTQ-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO C[NH2+]CC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000063166311 623328837 /nfs/dbraw/zinc/32/88/37/623328837.db2.gz VFBVRPCDTXYIJA-UHFFFAOYSA-N 1 0 297.786 2.680 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC000914433259 623849625 /nfs/dbraw/zinc/84/96/25/623849625.db2.gz MPQUZGOEJQHBCU-JSGCOSHPSA-N 1 0 296.754 2.763 20 5 CFBDRO CC[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000153339508 623932719 /nfs/dbraw/zinc/93/27/19/623932719.db2.gz YOVBKBBWLRFNBU-ZDUSSCGKSA-N 1 0 280.372 2.878 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174856556 624413933 /nfs/dbraw/zinc/41/39/33/624413933.db2.gz IEWSRKUCPWEXOJ-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000830561479 624780199 /nfs/dbraw/zinc/78/01/99/624780199.db2.gz ZOMQMAJJUFPOBY-UHFFFAOYSA-N 1 0 297.330 2.793 20 5 CFBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000068449970 624999280 /nfs/dbraw/zinc/99/92/80/624999280.db2.gz GPGCHCCDGXYSEO-VIFPVBQESA-N 1 0 299.758 2.917 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831392872 625008115 /nfs/dbraw/zinc/00/81/15/625008115.db2.gz KODZYXYXDIZIQY-OWYVNGRQSA-N 1 0 296.342 2.883 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831392189 625008318 /nfs/dbraw/zinc/00/83/18/625008318.db2.gz HLBXKCNMAWWGQA-CUOATXAZSA-N 1 0 296.342 2.883 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccn1 ZINC000834860452 625904836 /nfs/dbraw/zinc/90/48/36/625904836.db2.gz RRNUCRNBIZISCE-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000834883145 625908989 /nfs/dbraw/zinc/90/89/89/625908989.db2.gz ZDJCKXJHNZURGN-IINYFYTJSA-N 1 0 281.356 2.643 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922560836 626308956 /nfs/dbraw/zinc/30/89/56/626308956.db2.gz WNXIAQKQPUVEJA-DOMZBBRYSA-N 1 0 291.395 2.900 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922988446 626439868 /nfs/dbraw/zinc/43/98/68/626439868.db2.gz QQXFLQYPQRGKNZ-SJORKVTESA-N 1 0 298.342 2.733 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839193023 626530923 /nfs/dbraw/zinc/53/09/23/626530923.db2.gz VVHAIDQOSLKCFW-AWEZNQCLSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000749320262 626540661 /nfs/dbraw/zinc/54/06/61/626540661.db2.gz KFKRMKPNWFZVRU-JTQLQIEISA-N 1 0 299.321 2.840 20 5 CFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659018 626549776 /nfs/dbraw/zinc/54/97/76/626549776.db2.gz UQUOHEVZJOFJQX-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@H]([NH2+]C1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000757706588 626559887 /nfs/dbraw/zinc/55/98/87/626559887.db2.gz XDXHKLARPAKXNQ-AWEZNQCLSA-N 1 0 294.351 2.787 20 5 CFBDRO C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924707 626702735 /nfs/dbraw/zinc/70/27/35/626702735.db2.gz ZGPQSOWEKPQKIR-WFASDCNBSA-N 1 0 292.379 2.996 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOC2)cc1Cl ZINC000761519867 626842460 /nfs/dbraw/zinc/84/24/60/626842460.db2.gz JKQRVRXBNYYWCA-SNVBAGLBSA-N 1 0 270.716 2.517 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764845102 627101252 /nfs/dbraw/zinc/10/12/52/627101252.db2.gz OHCOXHZETDZJJF-LLVKDONJSA-N 1 0 288.351 2.942 20 5 CFBDRO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765049304 627115753 /nfs/dbraw/zinc/11/57/53/627115753.db2.gz OGOKYELCZCNMBU-QWRGUYRKSA-N 1 0 288.351 2.798 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636522 627151841 /nfs/dbraw/zinc/15/18/41/627151841.db2.gz QJYNRDNLKWNCPN-GHMZBOCLSA-N 1 0 281.331 2.653 20 5 CFBDRO CO[C@@H]1CC[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000851869957 634564881 /nfs/dbraw/zinc/56/48/81/634564881.db2.gz WOJDZTGCIGPNBA-QWHCGFSZSA-N 1 0 276.336 2.520 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1CC=CC1)C2 ZINC000851869828 634565812 /nfs/dbraw/zinc/56/58/12/634565812.db2.gz SEQSBDSOYSCLBK-UHFFFAOYSA-N 1 0 258.321 2.919 20 5 CFBDRO COC(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000851883159 634569867 /nfs/dbraw/zinc/56/98/67/634569867.db2.gz OXAGNFWUKOXJQP-UHFFFAOYSA-N 1 0 294.351 2.568 20 5 CFBDRO Cc1cc(N2CCC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000771186354 627582957 /nfs/dbraw/zinc/58/29/57/627582957.db2.gz LDGNQYIRFYLKMD-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774904460 627978236 /nfs/dbraw/zinc/97/82/36/627978236.db2.gz SWWCZEYQPKQGPN-NXEZZACHSA-N 1 0 279.296 2.733 20 5 CFBDRO C[C@H]1CCCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732787 628060062 /nfs/dbraw/zinc/06/00/62/628060062.db2.gz VTLSONXUTJYOLP-SWLSCSKDSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279074 628126005 /nfs/dbraw/zinc/12/60/05/628126005.db2.gz WYPKRWJMAZDBPX-SWLSCSKDSA-N 1 0 278.352 2.750 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000776581546 628160383 /nfs/dbraw/zinc/16/03/83/628160383.db2.gz JTDAZXNHLXBJCA-CYBMUJFWSA-N 1 0 266.341 2.606 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000776582521 628161058 /nfs/dbraw/zinc/16/10/58/628161058.db2.gz VAPFYVIVXAZYCE-HOTGVXAUSA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)C([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776605041 628163773 /nfs/dbraw/zinc/16/37/73/628163773.db2.gz IDNRUUONGLJDOB-AWEZNQCLSA-N 1 0 280.368 2.898 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000852078672 634645208 /nfs/dbraw/zinc/64/52/08/634645208.db2.gz TVRXXWPOUYZXJO-LLVKDONJSA-N 1 0 294.351 2.571 20 5 CFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860977 628415368 /nfs/dbraw/zinc/41/53/68/628415368.db2.gz LKMVCCWAFZAZGY-YPMHNXCESA-N 1 0 280.372 2.958 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000780500785 628469773 /nfs/dbraw/zinc/46/97/73/628469773.db2.gz YELXRBJJTLCYRN-CYBMUJFWSA-N 1 0 280.372 2.734 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)C2CC2)cc1Cl ZINC000783566573 628721135 /nfs/dbraw/zinc/72/11/35/628721135.db2.gz HYUVFOHLSXUSQC-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000783624779 628728256 /nfs/dbraw/zinc/72/82/56/628728256.db2.gz FSCXXGVJNYLDPX-CYBMUJFWSA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783648432 628730249 /nfs/dbraw/zinc/73/02/49/628730249.db2.gz JFFTYUKVSDUMLI-KOLCDFICSA-N 1 0 284.743 2.905 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514520 628822991 /nfs/dbraw/zinc/82/29/91/628822991.db2.gz XKFPOPXXXVQOIX-HIFRSBDPSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000786166940 628940926 /nfs/dbraw/zinc/94/09/26/628940926.db2.gz VAACKVYHPOKZLV-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO C[NH+](C)CCN(c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000786555451 628968355 /nfs/dbraw/zinc/96/83/55/628968355.db2.gz SXTSRVMPQICRIE-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO C[C@H]([NH2+]Cc1ccoc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788564052 629082123 /nfs/dbraw/zinc/08/21/23/629082123.db2.gz RSYQJJAUPGKFLB-VIFPVBQESA-N 1 0 261.281 2.621 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452246 629158152 /nfs/dbraw/zinc/15/81/52/629158152.db2.gz SBEJUGDXRCHSCZ-IATRGZMQSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnn(CC[NH+]3CCCC3)c2)c1 ZINC000789966795 629200752 /nfs/dbraw/zinc/20/07/52/629200752.db2.gz LVESEUIZBLLALL-UHFFFAOYSA-N 1 0 286.335 2.554 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000791055726 629284847 /nfs/dbraw/zinc/28/48/47/629284847.db2.gz WDVHPCGSFRROMA-HUUCEWRRSA-N 1 0 262.353 2.654 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCCC[NH+](C)C ZINC000792092248 629396509 /nfs/dbraw/zinc/39/65/09/629396509.db2.gz XYRDQDBBPAQKNX-UHFFFAOYSA-N 1 0 294.351 2.629 20 5 CFBDRO Cc1nn(C[N@H+](CC2CC2)CC2CCC2)c(C)c1[N+](=O)[O-] ZINC000794713535 629678578 /nfs/dbraw/zinc/67/85/78/629678578.db2.gz INHXCHZLTPLVRQ-UHFFFAOYSA-N 1 0 292.383 2.878 20 5 CFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000796532320 629931357 /nfs/dbraw/zinc/93/13/57/629931357.db2.gz DEHFBPBLGKWCQG-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO CC1=C(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796592137 629939311 /nfs/dbraw/zinc/93/93/11/629939311.db2.gz AZPAIJXPXZYPPP-OAHLLOKOSA-N 1 0 276.336 2.670 20 5 CFBDRO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000110717659 634785718 /nfs/dbraw/zinc/78/57/18/634785718.db2.gz XFHFVZKZVWCWTF-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797526742 630077342 /nfs/dbraw/zinc/07/73/42/630077342.db2.gz XORMSXMDTWEAEZ-XHDPSFHLSA-N 1 0 276.336 2.526 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000798964468 630265625 /nfs/dbraw/zinc/26/56/25/630265625.db2.gz QSGJUWYNXTZELA-CQSZACIVSA-N 1 0 283.331 2.979 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965793 630266418 /nfs/dbraw/zinc/26/64/18/630266418.db2.gz ZOEKSIOUEHLXLD-ZDUSSCGKSA-N 1 0 283.331 2.979 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCOC1 ZINC000801509938 630451724 /nfs/dbraw/zinc/45/17/24/630451724.db2.gz BRXWBMRGWOAATO-GFCCVEGCSA-N 1 0 282.315 2.592 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+](C)C ZINC000804321188 630672035 /nfs/dbraw/zinc/67/20/35/630672035.db2.gz IFOKZCRXEPEPGT-UHFFFAOYSA-N 1 0 293.367 2.797 20 5 CFBDRO CCC[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804324692 630672205 /nfs/dbraw/zinc/67/22/05/630672205.db2.gz VTXXTPFKBBJGSS-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000840764124 631220417 /nfs/dbraw/zinc/22/04/17/631220417.db2.gz NHRATXHIHOAYPJ-RTXFEEFZSA-N 1 0 293.367 2.784 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809723881 631271554 /nfs/dbraw/zinc/27/15/54/631271554.db2.gz RETMCHUHUIMTEJ-NSHDSACASA-N 1 0 286.759 2.602 20 5 CFBDRO [NH3+]C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000841085748 631334254 /nfs/dbraw/zinc/33/42/54/631334254.db2.gz CKDBLAZARIARRZ-CQSZACIVSA-N 1 0 297.786 2.855 20 5 CFBDRO CC(C)(C)[C@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841088122 631337626 /nfs/dbraw/zinc/33/76/26/631337626.db2.gz YCMLPUASUPZTCX-LBPRGKRZSA-N 1 0 285.775 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105512 631341139 /nfs/dbraw/zinc/34/11/39/631341139.db2.gz RPBFIRHSSIXAHG-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000812460745 631721607 /nfs/dbraw/zinc/72/16/07/631721607.db2.gz ZFEVIRPLMINNRP-LLVKDONJSA-N 1 0 281.331 2.939 20 5 CFBDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812779848 631771517 /nfs/dbraw/zinc/77/15/17/631771517.db2.gz ZXOMUWDQRSJXBJ-GFCCVEGCSA-N 1 0 284.743 2.593 20 5 CFBDRO C[NH2+]C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843044082 631811252 /nfs/dbraw/zinc/81/12/52/631811252.db2.gz COPPWRJMDBPNNU-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843044217 631812358 /nfs/dbraw/zinc/81/23/58/631812358.db2.gz ALUNQDXJXMSSHJ-HZMBPMFUSA-N 1 0 297.786 2.950 20 5 CFBDRO C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C[NH3+] ZINC000843052523 631816938 /nfs/dbraw/zinc/81/69/38/631816938.db2.gz VMCDMCCCMPNBEQ-HZMBPMFUSA-N 1 0 297.786 2.807 20 5 CFBDRO CCC[NH2+][C@@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170866 631876500 /nfs/dbraw/zinc/87/65/00/631876500.db2.gz LERGXIYFKFWLEN-JTQLQIEISA-N 1 0 290.323 2.629 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592163 632293257 /nfs/dbraw/zinc/29/32/57/632293257.db2.gz ALKJVPNSWRKGNA-ONGXEEELSA-N 1 0 263.341 2.874 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000815599038 632295627 /nfs/dbraw/zinc/29/56/27/632295627.db2.gz JHDJZOIYNUVQCI-NXEZZACHSA-N 1 0 274.324 2.917 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815613923 632297422 /nfs/dbraw/zinc/29/74/22/632297422.db2.gz AJAZSRUWLXDJHK-GMXVVIOVSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618324 632298241 /nfs/dbraw/zinc/29/82/41/632298241.db2.gz JIPVRBOQBURVBE-CMPLNLGQSA-N 1 0 277.324 2.520 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628050 632300665 /nfs/dbraw/zinc/30/06/65/632300665.db2.gz PWYRJGQJEDDHAW-NWDGAFQWSA-N 1 0 294.399 2.556 20 5 CFBDRO C[C@@H](F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815645844 632304575 /nfs/dbraw/zinc/30/45/75/632304575.db2.gz RGSDGMGTEUMADI-GFCCVEGCSA-N 1 0 295.358 2.901 20 5 CFBDRO CC(C)C[N@H+](C)CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000845578747 632469465 /nfs/dbraw/zinc/46/94/65/632469465.db2.gz JKBHYDQEBWMIRJ-UHFFFAOYSA-N 1 0 280.372 2.567 20 5 CFBDRO Cc1sccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000816610315 632494505 /nfs/dbraw/zinc/49/45/05/632494505.db2.gz GPOYLRFNWWKQTO-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO C[C@@H](CF)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816620322 632496220 /nfs/dbraw/zinc/49/62/20/632496220.db2.gz QLDNILPONGMSNT-NSHDSACASA-N 1 0 281.331 2.511 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000845739009 632544612 /nfs/dbraw/zinc/54/46/12/632544612.db2.gz QMXWRMJSYTWGKO-LLVKDONJSA-N 1 0 292.335 2.624 20 5 CFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000817238516 632580912 /nfs/dbraw/zinc/58/09/12/632580912.db2.gz JQNLHTOINCTLDN-UHFFFAOYSA-N 1 0 294.351 2.710 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CC4)CC2)cc1 ZINC000818355640 632837146 /nfs/dbraw/zinc/83/71/46/632837146.db2.gz AQDRYUXZRHPRBD-OAHLLOKOSA-N 1 0 287.363 2.706 20 5 CFBDRO CC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846952796 632856893 /nfs/dbraw/zinc/85/68/93/632856893.db2.gz RMOJAATZAYYMNE-NSHDSACASA-N 1 0 276.336 2.957 20 5 CFBDRO O=C(CC[NH2+]CCC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000819147362 632984718 /nfs/dbraw/zinc/98/47/18/632984718.db2.gz ZFNOLVIXXSIUGE-UHFFFAOYSA-N 1 0 291.351 2.703 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2=CCCC2)c1 ZINC000819188983 633008153 /nfs/dbraw/zinc/00/81/53/633008153.db2.gz CBVZIOKGIOEXAL-OAHLLOKOSA-N 1 0 276.336 2.718 20 5 CFBDRO CSC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819270847 633047795 /nfs/dbraw/zinc/04/77/95/633047795.db2.gz JNHSFKPMDKMJSG-CYBMUJFWSA-N 1 0 296.392 2.504 20 5 CFBDRO CC1(C)C(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000819279863 633051381 /nfs/dbraw/zinc/05/13/81/633051381.db2.gz SQADJJHYXHHXNA-CYBMUJFWSA-N 1 0 292.379 2.900 20 5 CFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819282981 633053686 /nfs/dbraw/zinc/05/36/86/633053686.db2.gz BTSMZNWLBDZNDL-KYOSRNDESA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000847957114 633163294 /nfs/dbraw/zinc/16/32/94/633163294.db2.gz KKUJLPUWDOWUKK-LBPRGKRZSA-N 1 0 292.335 2.626 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1ccccc1 ZINC000848514309 633269708 /nfs/dbraw/zinc/26/97/08/633269708.db2.gz LYANNEWAGRIWTR-WBVHZDCISA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1ccccc1 ZINC000848514302 633270175 /nfs/dbraw/zinc/27/01/75/633270175.db2.gz LYANNEWAGRIWTR-DOTOQJQBSA-N 1 0 298.342 2.905 20 5 CFBDRO CC[C@@H](C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849326228 633618022 /nfs/dbraw/zinc/61/80/22/633618022.db2.gz BIIAUCSZTZHEHX-BXUZGUMPSA-N 1 0 266.341 2.654 20 5 CFBDRO Cn1cc(C[NH2+][C@@H]2C=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000850358797 633953711 /nfs/dbraw/zinc/95/37/11/633953711.db2.gz LRNXFHRMVHXUQP-CQSZACIVSA-N 1 0 298.346 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388573 633971915 /nfs/dbraw/zinc/97/19/15/633971915.db2.gz OCVVNSYSXDUFJG-QWHCGFSZSA-N 1 0 296.754 2.641 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850388076 633971971 /nfs/dbraw/zinc/97/19/71/633971971.db2.gz GXZXVZPBGKVCAH-LLVKDONJSA-N 1 0 298.770 2.746 20 5 CFBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000853117209 634911256 /nfs/dbraw/zinc/91/12/56/634911256.db2.gz QZNAKOCFAFKKTI-LSDHHAIUSA-N 1 0 278.352 2.652 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853575018 635039164 /nfs/dbraw/zinc/03/91/64/635039164.db2.gz XIDVZXPGZCWXQD-CHWSQXEVSA-N 1 0 298.346 2.758 20 5 CFBDRO C[N@H+](C[C@H]1CC1(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853627071 635052263 /nfs/dbraw/zinc/05/22/63/635052263.db2.gz NHKNRUQWJFNIJI-GFCCVEGCSA-N 1 0 288.351 2.880 20 5 CFBDRO CC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000111690806 635147388 /nfs/dbraw/zinc/14/73/88/635147388.db2.gz RJRHKDDCMLHZQD-UHFFFAOYSA-N 1 0 276.336 2.704 20 5 CFBDRO CC[C@H]([NH2+]C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000854136982 635226254 /nfs/dbraw/zinc/22/62/54/635226254.db2.gz KBPMJZOBZWZSHO-JTQLQIEISA-N 1 0 276.296 2.624 20 5 CFBDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858518330 636280714 /nfs/dbraw/zinc/28/07/14/636280714.db2.gz GNNGOUMPMVLBHS-JTQLQIEISA-N 1 0 286.335 2.731 20 5 CFBDRO CCC(CC)[NH2+]CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000858607944 636307786 /nfs/dbraw/zinc/30/77/86/636307786.db2.gz GMBMHTJCJKHVIH-UHFFFAOYSA-N 1 0 296.327 2.693 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000858780288 636343661 /nfs/dbraw/zinc/34/36/61/636343661.db2.gz MFWKFAQKVXTOOB-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO CCO[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000859207860 636502656 /nfs/dbraw/zinc/50/26/56/636502656.db2.gz AOPKUPJCZKPIMA-MRXNPFEDSA-N 1 0 290.363 2.768 20 5 CFBDRO C[C@]1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000862366908 637337224 /nfs/dbraw/zinc/33/72/24/637337224.db2.gz OKHNOZKVMKNRTQ-CQSZACIVSA-N 1 0 295.408 2.646 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000863578538 637701013 /nfs/dbraw/zinc/70/10/13/637701013.db2.gz NFTZBNAWFFEXNC-BBRMVZONSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000863717370 637758109 /nfs/dbraw/zinc/75/81/09/637758109.db2.gz SMMDSQWXYFGUDX-HNNXBMFYSA-N 1 0 283.331 2.951 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000865760908 638558568 /nfs/dbraw/zinc/55/85/68/638558568.db2.gz IMZVUDWNHQCOSS-ZBFHGGJFSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865761789 638558915 /nfs/dbraw/zinc/55/89/15/638558915.db2.gz QSJPRJDAYFSHBM-HOCLYGCPSA-N 1 0 290.363 2.890 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCC(C)([NH+](C)C)CC1 ZINC000866148607 638758711 /nfs/dbraw/zinc/75/87/11/638758711.db2.gz KVTMULJYLBKXQJ-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866247951 638779683 /nfs/dbraw/zinc/77/96/83/638779683.db2.gz HTQORKWOYUZDSY-RISCZKNCSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[C@H](C)O ZINC000866269126 638785438 /nfs/dbraw/zinc/78/54/38/638785438.db2.gz BICJNTWUZRPFHD-TUAOUCFPSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000866304386 638793068 /nfs/dbraw/zinc/79/30/68/638793068.db2.gz WYYHBWDUOIVUQN-SKDRFNHKSA-N 1 0 284.356 2.760 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000866309395 638794608 /nfs/dbraw/zinc/79/46/08/638794608.db2.gz FOEPZENPTKTBPT-BPNCWPANSA-N 1 0 296.342 2.558 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000866362171 638804515 /nfs/dbraw/zinc/80/45/15/638804515.db2.gz BBEBOWOYXPBXKP-QMTHXVAHSA-N 1 0 298.358 2.804 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866365167 638805306 /nfs/dbraw/zinc/80/53/06/638805306.db2.gz WOWBZZDAKGIBMT-VXGBXAGGSA-N 1 0 298.358 2.663 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866372700 638808304 /nfs/dbraw/zinc/80/83/04/638808304.db2.gz JFTMWXWYAJWCIC-ZBINZKHDSA-N 1 0 296.342 2.822 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccnc(F)c1 ZINC000866474797 638826904 /nfs/dbraw/zinc/82/69/04/638826904.db2.gz ODVLPIMISJQIPR-CYBMUJFWSA-N 1 0 287.294 2.906 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866582124 638848523 /nfs/dbraw/zinc/84/85/23/638848523.db2.gz DLKMRKMGMGNEOP-XNRPHZJLSA-N 1 0 289.379 2.682 20 5 CFBDRO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)C ZINC000193052070 650619624 /nfs/dbraw/zinc/61/96/24/650619624.db2.gz NDSKGSHVLCDVFF-UHFFFAOYSA-N 1 0 284.331 2.838 20 5 CFBDRO C[C@@H](NCC(C)(C)C[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016702 641548465 /nfs/dbraw/zinc/54/84/65/641548465.db2.gz NKYSGYIWHKFMPD-LLVKDONJSA-N 1 0 297.374 2.972 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019487 641549553 /nfs/dbraw/zinc/54/95/53/641549553.db2.gz YGXILZJAUQGWJE-RYUDHWBXSA-N 1 0 295.358 2.869 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023824 641555723 /nfs/dbraw/zinc/55/57/23/641555723.db2.gz VYPRVIAHQVNJHX-JTQLQIEISA-N 1 0 270.304 2.811 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029219 641559002 /nfs/dbraw/zinc/55/90/02/641559002.db2.gz PDPGMCKLDNEHPW-GHMZBOCLSA-N 1 0 284.331 2.792 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034949 641566189 /nfs/dbraw/zinc/56/61/89/641566189.db2.gz SJASKWUBWMUZEN-RNCFNFMXSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037507 641570600 /nfs/dbraw/zinc/57/06/00/641570600.db2.gz CNUPUHZDFXTCBE-SDDRHHMPSA-N 1 0 295.358 2.867 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000872039403 641572955 /nfs/dbraw/zinc/57/29/55/641572955.db2.gz SEDATEYEIPVXGV-LSDHHAIUSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872041426 641575214 /nfs/dbraw/zinc/57/52/14/641575214.db2.gz SRVPANYROJLQJD-SNVBAGLBSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050893 641585054 /nfs/dbraw/zinc/58/50/54/641585054.db2.gz DMHITUQDNKAWKL-DCAQKATOSA-N 1 0 282.315 2.688 20 5 CFBDRO C[C@@H]([NH2+]CCCCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872054496 641589879 /nfs/dbraw/zinc/58/98/79/641589879.db2.gz XHLUUXWDICZFDH-LLVKDONJSA-N 1 0 284.331 2.937 20 5 CFBDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061941 641593393 /nfs/dbraw/zinc/59/33/93/641593393.db2.gz HYDKEWHSIFILIA-JTQLQIEISA-N 1 0 298.314 2.538 20 5 CFBDRO C[C@H]([NH2+]CCC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872062923 641594306 /nfs/dbraw/zinc/59/43/06/641594306.db2.gz LZEBDKBGULBTLW-VIFPVBQESA-N 1 0 270.304 2.546 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071146 641602245 /nfs/dbraw/zinc/60/22/45/641602245.db2.gz LALSCIXDZLLQLA-MNOVXSKESA-N 1 0 284.331 2.649 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075065 641606777 /nfs/dbraw/zinc/60/67/77/641606777.db2.gz NIBQHFHDWDJBFU-MNOVXSKESA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077035 641608987 /nfs/dbraw/zinc/60/89/87/641608987.db2.gz XTADWNNHPFTYPX-SNVBAGLBSA-N 1 0 282.315 2.547 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000872077644 641609951 /nfs/dbraw/zinc/60/99/51/641609951.db2.gz KOZSJBLUZQRWQR-ZWKOPEQDSA-N 1 0 296.392 2.881 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000872077643 641610023 /nfs/dbraw/zinc/61/00/23/641610023.db2.gz KOZSJBLUZQRWQR-OASPWFOLSA-N 1 0 296.392 2.881 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079356 641612245 /nfs/dbraw/zinc/61/22/45/641612245.db2.gz XUIQDWLEWNDMEZ-TVQRCGJNSA-N 1 0 282.315 2.546 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872084143 641618062 /nfs/dbraw/zinc/61/80/62/641618062.db2.gz DWWHFDLBEGBCIC-DCAQKATOSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083875 641618093 /nfs/dbraw/zinc/61/80/93/641618093.db2.gz BSAVATYGWQKYNJ-TVYUQYBPSA-N 1 0 294.326 2.688 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C\CO ZINC000872086848 641619848 /nfs/dbraw/zinc/61/98/48/641619848.db2.gz YJGKCHPIYYWQKF-XOULXFPDSA-N 1 0 282.365 2.516 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094067 641625823 /nfs/dbraw/zinc/62/58/23/641625823.db2.gz YQDDVRMNOLWOBD-QWRGUYRKSA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129800 641657610 /nfs/dbraw/zinc/65/76/10/641657610.db2.gz UTQIKHKGJSFSQL-XQQFMLRXSA-N 1 0 289.379 2.871 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000872129802 641658027 /nfs/dbraw/zinc/65/80/27/641658027.db2.gz UVKVZUSXEAUBKQ-MCIONIFRSA-N 1 0 289.379 2.872 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000872223635 641708410 /nfs/dbraw/zinc/70/84/10/641708410.db2.gz MBKXMGXRAORLTD-UONOGXRCSA-N 1 0 296.392 2.504 20 5 CFBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000080677953 650703434 /nfs/dbraw/zinc/70/34/34/650703434.db2.gz BVYHVCDWMVXRCK-UHFFFAOYSA-N 1 0 296.327 2.647 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000873048310 641994971 /nfs/dbraw/zinc/99/49/71/641994971.db2.gz WHOPVLLICIEHSY-AWEZNQCLSA-N 1 0 291.395 2.643 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)C(C)C ZINC000873052221 641996460 /nfs/dbraw/zinc/99/64/60/641996460.db2.gz TUHAIERYNWWTTD-OAHLLOKOSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)C(C)C ZINC000873052220 641996755 /nfs/dbraw/zinc/99/67/55/641996755.db2.gz TUHAIERYNWWTTD-HNNXBMFYSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)CCO ZINC000873066613 642001726 /nfs/dbraw/zinc/00/17/26/642001726.db2.gz YTHPOXWXMXQVSX-UHFFFAOYSA-N 1 0 280.368 2.710 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000873076555 642006065 /nfs/dbraw/zinc/00/60/65/642006065.db2.gz QMUXDTVRMZBFDW-OKILXGFUSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000873126184 642020009 /nfs/dbraw/zinc/02/00/09/642020009.db2.gz OYTFSFASPSAVLV-YPMHNXCESA-N 1 0 278.352 2.665 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000873132033 642023806 /nfs/dbraw/zinc/02/38/06/642023806.db2.gz DLRHNRPJUCUSOE-ZIAGYGMSSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000873134279 642024611 /nfs/dbraw/zinc/02/46/11/642024611.db2.gz ZJVSJEITOOLFQY-KYOSRNDESA-N 1 0 276.336 2.621 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1(CO)CCC1 ZINC000873133544 642024677 /nfs/dbraw/zinc/02/46/77/642024677.db2.gz RTUVMQNHQKDMPB-UHFFFAOYSA-N 1 0 292.379 2.854 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)CC1CC1 ZINC000873138152 642027879 /nfs/dbraw/zinc/02/78/79/642027879.db2.gz OIWDPGBZDLJPST-CQSZACIVSA-N 1 0 292.379 2.710 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000873150098 642031752 /nfs/dbraw/zinc/03/17/52/642031752.db2.gz XCQJRRLVPMVETB-CJNGLKHVSA-N 1 0 290.363 2.869 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000873177047 642048949 /nfs/dbraw/zinc/04/89/49/642048949.db2.gz PXHAGKRFDZLWKC-JOCQHMNTSA-N 1 0 278.352 2.579 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c(Cl)c1 ZINC000873230419 642082771 /nfs/dbraw/zinc/08/27/71/642082771.db2.gz RCMUPIYTQYQHEK-UONOGXRCSA-N 1 0 295.770 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1Cl ZINC000873231097 642083954 /nfs/dbraw/zinc/08/39/54/642083954.db2.gz HDSKIVOTWGRNLL-KBPBESRZSA-N 1 0 295.770 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCn1cccn1 ZINC000876732074 642987421 /nfs/dbraw/zinc/98/74/21/642987421.db2.gz WLDPVFYLVYXQCQ-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO C[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876893273 643053939 /nfs/dbraw/zinc/05/39/39/643053939.db2.gz FAXSNUHTZZERAX-DLOFLVKXSA-N 1 0 278.356 2.663 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCNc2ccccc2)cc1 ZINC000877076330 643138022 /nfs/dbraw/zinc/13/80/22/643138022.db2.gz VTHBNWDYJHYVKE-UHFFFAOYSA-N 1 0 285.347 2.839 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCCCCO ZINC000877484899 643300926 /nfs/dbraw/zinc/30/09/26/643300926.db2.gz HPDFFFVEUZLBNI-UHFFFAOYSA-N 1 0 280.368 2.806 20 5 CFBDRO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000245753612 650833088 /nfs/dbraw/zinc/83/30/88/650833088.db2.gz OLNVWBBGVVQSFE-NWDGAFQWSA-N 1 0 288.351 2.880 20 5 CFBDRO CC1(C)CCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877555321 643357253 /nfs/dbraw/zinc/35/72/53/643357253.db2.gz SSICHJWYBJEYSC-PNESKVBLSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC2(C1)CCCOC2 ZINC000877580881 643377875 /nfs/dbraw/zinc/37/78/75/643377875.db2.gz QQSYVEUURFDMFY-UHFFFAOYSA-N 1 0 290.363 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000877585379 643380620 /nfs/dbraw/zinc/38/06/20/643380620.db2.gz GGAONXBTBQTFAY-CJNGLKHVSA-N 1 0 290.363 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000877638584 643423815 /nfs/dbraw/zinc/42/38/15/643423815.db2.gz ZQOFYVHHTPYDRX-ZIAGYGMSSA-N 1 0 290.363 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000877646454 643429762 /nfs/dbraw/zinc/42/97/62/643429762.db2.gz IKRYXANRDRJMQS-BXUZGUMPSA-N 1 0 292.379 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1(C)COC1 ZINC000877652131 643433794 /nfs/dbraw/zinc/43/37/94/643433794.db2.gz BJPSZYNFHYNQEE-UHFFFAOYSA-N 1 0 278.352 2.680 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c(F)c1 ZINC000877739170 643502886 /nfs/dbraw/zinc/50/28/86/643502886.db2.gz RRKOYLYSMYNSAF-NWDGAFQWSA-N 1 0 296.367 2.919 20 5 CFBDRO CC(C)(O)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877835347 643601503 /nfs/dbraw/zinc/60/15/03/643601503.db2.gz PKSULHPASVZALB-VSKVDJIOSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCCC2)CC1 ZINC000878122117 643747620 /nfs/dbraw/zinc/74/76/20/643747620.db2.gz SKJVDCOZQMOAQS-UHFFFAOYSA-N 1 0 292.383 2.756 20 5 CFBDRO CC(C)[C@@H](O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286218 643822039 /nfs/dbraw/zinc/82/20/39/643822039.db2.gz LKLPXMHFWHQAOD-INIZCTEOSA-N 1 0 292.379 2.966 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563541 644321905 /nfs/dbraw/zinc/32/19/05/644321905.db2.gz CIQNNRBYRSOIBZ-VXGBXAGGSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880139589 644549777 /nfs/dbraw/zinc/54/97/77/644549777.db2.gz ALMMKRWXJBNEGV-DGCLKSJQSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000880141241 644551989 /nfs/dbraw/zinc/55/19/89/644551989.db2.gz OJINHVAUIQXVIX-CABCVRRESA-N 1 0 289.379 2.572 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880299300 644639640 /nfs/dbraw/zinc/63/96/40/644639640.db2.gz FPNYCJXVAJNKBF-VIFPVBQESA-N 1 0 256.252 2.525 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881774686 645125146 /nfs/dbraw/zinc/12/51/46/645125146.db2.gz ZYTSZSDOWWUPSS-NSHDSACASA-N 1 0 296.346 2.805 20 5 CFBDRO CC(C)[C@H](CNc1ccnc(F)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000881787341 645128166 /nfs/dbraw/zinc/12/81/66/645128166.db2.gz GTYZAEJQNASXGU-LBPRGKRZSA-N 1 0 296.346 2.661 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882388068 645296216 /nfs/dbraw/zinc/29/62/16/645296216.db2.gz UFNISXSFXCUWQX-JTQLQIEISA-N 1 0 284.335 2.661 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000252181576 651000160 /nfs/dbraw/zinc/00/01/60/651000160.db2.gz SYLXFDFNAHACKO-LALPHHSUSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882963809 645532863 /nfs/dbraw/zinc/53/28/63/645532863.db2.gz KBZKBJJUBUZGOW-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000882965721 645533127 /nfs/dbraw/zinc/53/31/27/645533127.db2.gz MCYGTHLQBZOWDM-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO COCCCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000131466328 645730034 /nfs/dbraw/zinc/73/00/34/645730034.db2.gz UYEBQFISZGJXSO-UHFFFAOYSA-N 1 0 266.341 2.810 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)c(F)c1 ZINC000883363767 645770602 /nfs/dbraw/zinc/77/06/02/645770602.db2.gz MRXVOKOMJCDQQO-ZDUSSCGKSA-N 1 0 294.326 2.925 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(CCO)CC1 ZINC000097817875 651042819 /nfs/dbraw/zinc/04/28/19/651042819.db2.gz LIVQDWVHZORIDZ-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO Cc1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1[N+](=O)[O-] ZINC000883391793 645791118 /nfs/dbraw/zinc/79/11/18/645791118.db2.gz RSTMEINDUAPRIS-UHFFFAOYSA-N 1 0 290.363 2.952 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC3(COC3)CC2)c1 ZINC000883392065 645791133 /nfs/dbraw/zinc/79/11/33/645791133.db2.gz ZLIVGACKHXJVNI-UHFFFAOYSA-N 1 0 276.336 2.644 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)C[NH+](C)C ZINC000884514106 646412934 /nfs/dbraw/zinc/41/29/34/646412934.db2.gz ZRNMAEAFVNRNCA-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000135269485 646501549 /nfs/dbraw/zinc/50/15/49/646501549.db2.gz MGWLLOVVLLELLU-PHIMTYICSA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000886038480 646834930 /nfs/dbraw/zinc/83/49/30/646834930.db2.gz WJMBURXKDLNGJA-STQMWFEESA-N 1 0 293.392 2.850 20 5 CFBDRO CC1(C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886178976 646909244 /nfs/dbraw/zinc/90/92/44/646909244.db2.gz KIDLPAZXKWGVFU-UHFFFAOYSA-N 1 0 281.381 2.707 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000886207490 646921294 /nfs/dbraw/zinc/92/12/94/646921294.db2.gz DUBFYYVDCUEIQB-LBPRGKRZSA-N 1 0 261.325 2.612 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000886221243 646927745 /nfs/dbraw/zinc/92/77/45/646927745.db2.gz WDCWTNHCDZQMBO-CORIIIEPSA-N 1 0 276.336 2.672 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1 ZINC000886291084 646956396 /nfs/dbraw/zinc/95/63/96/646956396.db2.gz WXHUAVAFWVQJMY-CQSZACIVSA-N 1 0 276.336 2.644 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000886302132 646959076 /nfs/dbraw/zinc/95/90/76/646959076.db2.gz GBGOWSYUZCMARE-UHFFFAOYSA-N 1 0 261.325 2.756 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886315447 646965994 /nfs/dbraw/zinc/96/59/94/646965994.db2.gz MQCZPMIVZITJOW-TYNCELHUSA-N 1 0 276.336 2.672 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886333827 646974739 /nfs/dbraw/zinc/97/47/39/646974739.db2.gz NUQHTVOPFLHPBF-TXEJJXNPSA-N 1 0 276.336 2.834 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2cccnc21 ZINC000886532940 647033286 /nfs/dbraw/zinc/03/32/86/647033286.db2.gz RMXQQKIZCCYJGO-AWEZNQCLSA-N 1 0 283.331 2.809 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3cccnc32)c1 ZINC000886556808 647046064 /nfs/dbraw/zinc/04/60/64/647046064.db2.gz KOMXIVKJJKIHQK-HNNXBMFYSA-N 1 0 283.331 2.809 20 5 CFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886650328 647089121 /nfs/dbraw/zinc/08/91/21/647089121.db2.gz UMARLWYJPSUESK-SDDRHHMPSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886676448 647105279 /nfs/dbraw/zinc/10/52/79/647105279.db2.gz HMWLIFNMTCEAGY-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815445 647148661 /nfs/dbraw/zinc/14/86/61/647148661.db2.gz DQKXGEYLQXCJBV-WFASDCNBSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]CCc3ccccc3[N+](=O)[O-])C2)CO1 ZINC000925151870 648117737 /nfs/dbraw/zinc/11/77/37/648117737.db2.gz DXSWBGCUYCFYCU-YGONEPDPSA-N 1 0 290.363 2.685 20 5 CFBDRO CC[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000926833674 648630769 /nfs/dbraw/zinc/63/07/69/648630769.db2.gz AZJNOOLSQAHSSW-GVXVVHGQSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccnnc1)c1ccc([N+](=O)[O-])cc1 ZINC000926892542 648648089 /nfs/dbraw/zinc/64/80/89/648648089.db2.gz MPWMFNBRDXJWSS-MNOVXSKESA-N 1 0 272.308 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccnnc1)c1ccc([N+](=O)[O-])cc1 ZINC000926892541 648648393 /nfs/dbraw/zinc/64/83/93/648648393.db2.gz MPWMFNBRDXJWSS-GHMZBOCLSA-N 1 0 272.308 2.797 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926942853 648666085 /nfs/dbraw/zinc/66/60/85/648666085.db2.gz QKFVQXTZLFAWDK-UJDVCPFMSA-N 1 0 288.347 2.837 20 5 CFBDRO Cc1c(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000929228512 649008254 /nfs/dbraw/zinc/00/82/54/649008254.db2.gz RSOKCKLNKVAFBJ-AWEZNQCLSA-N 1 0 291.351 2.715 20 5 CFBDRO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987571 649160276 /nfs/dbraw/zinc/16/02/76/649160276.db2.gz KLZVZWKKVXELKI-FRRDWIJNSA-N 1 0 290.367 2.522 20 5 CFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000930228718 649210342 /nfs/dbraw/zinc/21/03/42/649210342.db2.gz DLOCJEGUAHRQOJ-GFCCVEGCSA-N 1 0 271.320 2.676 20 5 CFBDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC[N+](=O)[O-] ZINC000930482252 649257618 /nfs/dbraw/zinc/25/76/18/649257618.db2.gz ZDIQTBCGNZAQTK-SNVBAGLBSA-N 1 0 290.285 2.845 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000930612355 649287180 /nfs/dbraw/zinc/28/71/80/649287180.db2.gz RZAXFQKEXDINKQ-GFCCVEGCSA-N 1 0 272.707 2.797 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000931355368 649414144 /nfs/dbraw/zinc/41/41/44/649414144.db2.gz RUJXCTWHPZDOJX-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000931529233 649448111 /nfs/dbraw/zinc/44/81/11/649448111.db2.gz SLTBNKQWUBHSDF-AWEZNQCLSA-N 1 0 284.306 2.639 20 5 CFBDRO Cc1ccc(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000931719077 649478043 /nfs/dbraw/zinc/47/80/43/649478043.db2.gz ICXNOLFQGVJMCM-LSDHHAIUSA-N 1 0 289.379 2.572 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000932177287 649559786 /nfs/dbraw/zinc/55/97/86/649559786.db2.gz WDCWTNHCDZQMBO-OSAQELSMSA-N 1 0 276.336 2.672 20 5 CFBDRO Cc1c(C[N@@H+]2CCO[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932350993 649582545 /nfs/dbraw/zinc/58/25/45/649582545.db2.gz PHMZHYPXPHSGPW-LLVKDONJSA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1noc(C[N@@H+]2CCCSC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000933912179 649731274 /nfs/dbraw/zinc/73/12/74/649731274.db2.gz IRYWOUNBFYUAMH-LLVKDONJSA-N 1 0 297.380 2.609 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)C2CCCC2)cc1 ZINC000934011842 649741913 /nfs/dbraw/zinc/74/19/13/649741913.db2.gz PGZQBODGODNYNN-MRXNPFEDSA-N 1 0 292.379 2.668 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@H]2CC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000934109525 649750055 /nfs/dbraw/zinc/75/00/55/649750055.db2.gz AOLAUQDVVWCXSR-JSGCOSHPSA-N 1 0 294.351 2.603 20 5 CFBDRO CCCCC1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000934201325 649760099 /nfs/dbraw/zinc/76/00/99/649760099.db2.gz WOZABRRHICHLQS-UHFFFAOYSA-N 1 0 253.302 2.704 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934227231 649764240 /nfs/dbraw/zinc/76/42/40/649764240.db2.gz NMZPZGFWZFNLHT-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934620657 649805544 /nfs/dbraw/zinc/80/55/44/649805544.db2.gz DWAGBENQJBHSCW-KCPJHIHWSA-N 1 0 276.336 2.573 20 5 CFBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000724123898 770798050 /nfs/dbraw/zinc/79/80/50/770798050.db2.gz ZRONSHXCOINVAI-WCQYABFASA-N 1 0 284.743 2.857 20 5 CFBDRO [NH3+]Cc1cccn1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001167589722 770948040 /nfs/dbraw/zinc/94/80/40/770948040.db2.gz KQBHDJDOMZYWLS-UHFFFAOYSA-N 1 0 285.225 2.863 20 5 CFBDRO C[N+](C)(C)CCCOC[C@H]1CCC(c2ccccc2)=NO1 ZINC001224621621 775229406 /nfs/dbraw/zinc/22/94/06/775229406.db2.gz YDRKMZGTGKYMED-MRXNPFEDSA-N 1 0 291.415 2.683 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725078679 775268056 /nfs/dbraw/zinc/26/80/56/775268056.db2.gz YDBJHGXCPWUGGO-AWEZNQCLSA-N 1 0 278.352 2.626 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCC2)cc1 ZINC000725077559 775268811 /nfs/dbraw/zinc/26/88/11/775268811.db2.gz PILDCMJAKVIUPT-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO C[N+](C)(C)CCO[C@@H]1CC[C@H](OCc2ccccc2)C1 ZINC001224773978 775269488 /nfs/dbraw/zinc/26/94/88/775269488.db2.gz OOHYDTAJEIFXEF-SJORKVTESA-N 1 0 278.416 2.847 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000690779877 775344619 /nfs/dbraw/zinc/34/46/19/775344619.db2.gz OZAPWWLTWLOSTP-PWSUYJOCSA-N 1 0 296.754 2.717 20 5 CFBDRO O=[N+]([O-])c1cccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1Cl ZINC001217970875 775407607 /nfs/dbraw/zinc/40/76/07/775407607.db2.gz COZRKBIUFDPHAB-LDYMZIIASA-N 1 0 288.706 2.717 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001218024037 775451172 /nfs/dbraw/zinc/45/11/72/775451172.db2.gz LXUDQMZYHQTVRD-SMDDNHRTSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001218028292 775453912 /nfs/dbraw/zinc/45/39/12/775453912.db2.gz FBRUQHMSAZKRON-ZUZCIYMTSA-N 1 0 278.352 2.979 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225580129 775509738 /nfs/dbraw/zinc/50/97/38/775509738.db2.gz ZEWSMWOJSIIBPC-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncccc1[N+](=O)[O-])C2 ZINC001225592115 775515375 /nfs/dbraw/zinc/51/53/75/775515375.db2.gz DHXVVBAPCAQQMV-ITGUQSILSA-N 1 0 291.351 2.772 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225598608 775518173 /nfs/dbraw/zinc/51/81/73/775518173.db2.gz WQYJVWJKFZMZAP-UHFFFAOYSA-N 1 0 279.340 2.632 20 5 CFBDRO C[C@H]1[NH2+]C[C@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218382480 775604161 /nfs/dbraw/zinc/60/41/61/775604161.db2.gz BXQQXWGJWWMTIS-MLUIRONXSA-N 1 0 277.107 2.641 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000694910370 775615045 /nfs/dbraw/zinc/61/50/45/775615045.db2.gz FQGJJDHZIFBUMA-MNOVXSKESA-N 1 0 282.315 2.733 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000293376135 775625562 /nfs/dbraw/zinc/62/55/62/775625562.db2.gz VTBWBQSVWOJRDW-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225904924 775629825 /nfs/dbraw/zinc/62/98/25/775629825.db2.gz LAYTYTCZCYFMHW-HAQNSBGRSA-N 1 0 282.315 2.986 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225913849 775633782 /nfs/dbraw/zinc/63/37/82/775633782.db2.gz WWALQLSMBGQTTP-SNVBAGLBSA-N 1 0 268.288 2.597 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001225918697 775635421 /nfs/dbraw/zinc/63/54/21/775635421.db2.gz LHHJCEGBJNPMGQ-MRVPVSSYSA-N 1 0 292.257 2.943 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1F ZINC001225943004 775642506 /nfs/dbraw/zinc/64/25/06/775642506.db2.gz VYOKOAUWOQYAIB-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1F ZINC001225968779 775651713 /nfs/dbraw/zinc/65/17/13/775651713.db2.gz LEYLNBILYBUGGG-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)cccc1[N+](=O)[O-])C2 ZINC001226008089 775665891 /nfs/dbraw/zinc/66/58/91/775665891.db2.gz YACCVLWZVNDIKD-JGPRNRPPSA-N 1 0 280.299 2.738 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009369 775666438 /nfs/dbraw/zinc/66/64/38/775666438.db2.gz LPXPAXLNZGYTAW-SNVBAGLBSA-N 1 0 268.288 2.597 20 5 CFBDRO C[NH+](C)C1CCC(Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226007717 775666534 /nfs/dbraw/zinc/66/65/34/775666534.db2.gz SJNXVKXFUNFEFK-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2csnn2)cc1 ZINC001226012066 775668078 /nfs/dbraw/zinc/66/80/78/775668078.db2.gz RLDFACHVVBHGMY-LLVKDONJSA-N 1 0 278.401 2.679 20 5 CFBDRO Cc1ccnc(OC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001226118540 775705917 /nfs/dbraw/zinc/70/59/17/775705917.db2.gz LXNZPWNQOUPZCL-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CC(=O)c1ccc(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226293008 775769864 /nfs/dbraw/zinc/76/98/64/775769864.db2.gz QUJBNFSFZNTCHR-CYBMUJFWSA-N 1 0 292.335 2.659 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226333797 775782095 /nfs/dbraw/zinc/78/20/95/775782095.db2.gz OAHSYFUGDOICCD-LLVKDONJSA-N 1 0 280.324 2.552 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226446087 775825940 /nfs/dbraw/zinc/82/59/40/775825940.db2.gz JPFUUPHUILKDBZ-GFCCVEGCSA-N 1 0 278.352 2.975 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763112 775952644 /nfs/dbraw/zinc/95/26/44/775952644.db2.gz JLMPAEASLDIHJY-AWEZNQCLSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[N@@H+](C)C1 ZINC001226988691 776049454 /nfs/dbraw/zinc/04/94/54/776049454.db2.gz IGGMRCRQYBAUNL-VIFPVBQESA-N 1 0 270.716 2.640 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1Cl ZINC001227180955 776125998 /nfs/dbraw/zinc/12/59/98/776125998.db2.gz GIKXXPFSOIBKRV-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO Cc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC001227221862 776143514 /nfs/dbraw/zinc/14/35/14/776143514.db2.gz FHSIMABZLWZJPJ-HAQNSBGRSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1ccc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])n1 ZINC001227222445 776144366 /nfs/dbraw/zinc/14/43/66/776144366.db2.gz NPYSEUJQJXIGNV-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)CC1 ZINC001227234978 776149883 /nfs/dbraw/zinc/14/98/83/776149883.db2.gz WMBLJLJNFCMAGN-LLVKDONJSA-N 1 0 291.307 2.599 20 5 CFBDRO COc1cc(Cl)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227369078 776186609 /nfs/dbraw/zinc/18/66/09/776186609.db2.gz FTMCGAOQRIINOO-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2ccc(Cl)cc21 ZINC001227966541 776344404 /nfs/dbraw/zinc/34/44/04/776344404.db2.gz YDVOYOQFGOAAFC-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228014003 776362661 /nfs/dbraw/zinc/36/26/61/776362661.db2.gz CPGLNMZHSQFWPK-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228056827 776380021 /nfs/dbraw/zinc/38/00/21/776380021.db2.gz HFBFGTRZFSZRIK-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135765 776405456 /nfs/dbraw/zinc/40/54/56/776405456.db2.gz MVHOEFPMXFFAHP-LLVKDONJSA-N 1 0 287.319 2.616 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)c2ncccc12 ZINC001228135264 776405776 /nfs/dbraw/zinc/40/57/76/776405776.db2.gz CZJWXSWIATYJDR-HNNXBMFYSA-N 1 0 299.330 2.616 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC001228138626 776407299 /nfs/dbraw/zinc/40/72/99/776407299.db2.gz MUPMKPIGUQXKEG-LLVKDONJSA-N 1 0 290.343 2.617 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228933139 776661684 /nfs/dbraw/zinc/66/16/84/776661684.db2.gz BJTYFHOZJZLEKH-VIFPVBQESA-N 1 0 285.731 2.505 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937499 776663382 /nfs/dbraw/zinc/66/33/82/776663382.db2.gz GFZWCUQDNWBYQL-SNVBAGLBSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(/C=C/[N+](=O)[O-])cc1)C2 ZINC001229119152 776725707 /nfs/dbraw/zinc/72/57/07/776725707.db2.gz LYHLTVMRSIXGQT-IHQOACFOSA-N 1 0 288.347 2.938 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc2scnc21 ZINC001229280339 776770193 /nfs/dbraw/zinc/77/01/93/776770193.db2.gz BKYSEBAWODELES-VIFPVBQESA-N 1 0 269.365 2.909 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229378547 776795827 /nfs/dbraw/zinc/79/58/27/776795827.db2.gz YAKLSWOJHPMDNO-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC001229895022 776912874 /nfs/dbraw/zinc/91/28/74/776912874.db2.gz NVQAJSRUKDYSSM-UHFFFAOYSA-N 1 0 282.315 2.905 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])nc1Cl)C2 ZINC001229915384 776916892 /nfs/dbraw/zinc/91/68/92/776916892.db2.gz OLYRVFJDHBVFRY-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO Cc1cc(OC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC001230471384 776995809 /nfs/dbraw/zinc/99/58/09/776995809.db2.gz DOMIWCAQBAUBKJ-UHFFFAOYSA-N 1 0 264.325 2.685 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)C(F)(F)F)cc1 ZINC001230700254 777045328 /nfs/dbraw/zinc/04/53/28/777045328.db2.gz DNJINOZSVYMQLN-SNVBAGLBSA-N 1 0 290.305 2.905 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001230724216 777052012 /nfs/dbraw/zinc/05/20/12/777052012.db2.gz USHUWDQJYYVSBG-HNNXBMFYSA-N 1 0 276.336 2.685 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230878304 777079643 /nfs/dbraw/zinc/07/96/43/777079643.db2.gz DBULAKDSXLGONC-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO COC(=O)C[C@@H](C)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001231013431 777115902 /nfs/dbraw/zinc/11/59/02/777115902.db2.gz VMKBKKAZLWHGIO-ZIAGYGMSSA-N 1 0 294.415 2.827 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667864 777158000 /nfs/dbraw/zinc/15/80/00/777158000.db2.gz VHRPWDZGPPMZCB-SNVBAGLBSA-N 1 0 268.288 2.595 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225913516 777333982 /nfs/dbraw/zinc/33/39/82/777333982.db2.gz UZPFJAAXZIIDBM-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO CN(CC[NH+](C)C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232218790 777479175 /nfs/dbraw/zinc/47/91/75/777479175.db2.gz HNHGSEHAVAKSGI-UHFFFAOYSA-N 1 0 294.402 2.776 20 5 CFBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000721804296 777586136 /nfs/dbraw/zinc/58/61/36/777586136.db2.gz OCIQYKOFIHEANF-NSHDSACASA-N 1 0 298.770 2.841 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC001233498243 777971346 /nfs/dbraw/zinc/97/13/46/777971346.db2.gz KFNHIRMNUINXBM-ZDUSSCGKSA-N 1 0 292.335 2.661 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233598396 778006404 /nfs/dbraw/zinc/00/64/04/778006404.db2.gz ZZLQWVMPOJOPPA-VIFPVBQESA-N 1 0 286.278 2.735 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc(F)cnc2c1 ZINC001233641920 778022528 /nfs/dbraw/zinc/02/25/28/778022528.db2.gz UBJDSGVBWQNVFS-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c(F)cc(F)cc1[N+](=O)[O-] ZINC001233697238 778044434 /nfs/dbraw/zinc/04/44/34/778044434.db2.gz YVHDQANRFAUDNF-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233696807 778045130 /nfs/dbraw/zinc/04/51/30/778045130.db2.gz UKBQWEHXVMTHEG-JTQLQIEISA-N 1 0 286.278 2.736 20 5 CFBDRO CCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001233806084 778083993 /nfs/dbraw/zinc/08/39/93/778083993.db2.gz VFMNXFGNAXVDNJ-ZDUSSCGKSA-N 1 0 280.388 2.645 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093212787 778090579 /nfs/dbraw/zinc/09/05/79/778090579.db2.gz LNSCUYKJOIVDJA-IUCAKERBSA-N 1 0 269.732 2.930 20 5 CFBDRO CCOc1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234196844 778184420 /nfs/dbraw/zinc/18/44/20/778184420.db2.gz FDDCEZHNGXHFSE-LLVKDONJSA-N 1 0 256.341 2.698 20 5 CFBDRO C[C@H](C[NH2+]Cc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000897469973 778273943 /nfs/dbraw/zinc/27/39/43/778273943.db2.gz VBFOWGYLUPVWOT-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO [NH3+]Cc1cnn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001168259720 778277072 /nfs/dbraw/zinc/27/70/72/778277072.db2.gz TUXGQNSXFOJAJQ-UHFFFAOYSA-N 1 0 294.314 2.906 20 5 CFBDRO CCOc1noc2cc(O[C@H](C)C[N+](C)(C)C)ccc21 ZINC001234906473 778326392 /nfs/dbraw/zinc/32/63/92/778326392.db2.gz BNALGNPWSMWQPR-LLVKDONJSA-N 1 0 279.360 2.700 20 5 CFBDRO C[N+](C)(C)CCCO[C@@H]1CCC(=O)c2ccccc21 ZINC001224621820 778602856 /nfs/dbraw/zinc/60/28/56/778602856.db2.gz DFWWXVFHAGDXEL-MRXNPFEDSA-N 1 0 262.373 2.817 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCCc3n[nH]cc32)cccc1[N+](=O)[O-] ZINC000353684960 779649489 /nfs/dbraw/zinc/64/94/89/779649489.db2.gz HXHDBEWMEWEYHZ-CYBMUJFWSA-N 1 0 286.335 2.794 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001229831605 780548369 /nfs/dbraw/zinc/54/83/69/780548369.db2.gz NJSKMOLXLXQTCT-QMMMGPOBSA-N 1 0 292.257 2.943 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000703177919 780995745 /nfs/dbraw/zinc/99/57/45/780995745.db2.gz DWBKYSTYTLONHL-CYBMUJFWSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704813898 781121260 /nfs/dbraw/zinc/12/12/60/781121260.db2.gz IYKOMAQONPRMJT-LLVKDONJSA-N 1 0 266.366 2.828 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H]32)ccc1Cl ZINC000707001343 781220723 /nfs/dbraw/zinc/22/07/23/781220723.db2.gz NQHHYGOUHYZLLU-KOLCDFICSA-N 1 0 252.701 2.842 20 5 CFBDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000594721189 349480292 /nfs/dbraw/zinc/48/02/92/349480292.db2.gz MLVMNILAUZRSKH-CABZTGNLSA-N 1 0 286.278 2.670 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000594896547 349497808 /nfs/dbraw/zinc/49/78/08/349497808.db2.gz ZFVUOLVKCUCWIM-VXGBXAGGSA-N 1 0 292.383 2.647 20 5 CFBDRO C[C@H]([NH2+]Cc1cnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594927221 349512250 /nfs/dbraw/zinc/51/22/50/349512250.db2.gz ZWBYJHWHMZIKIM-NSHDSACASA-N 1 0 286.335 2.588 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000594941952 349521105 /nfs/dbraw/zinc/52/11/05/349521105.db2.gz DDGFFNZSBSLUFX-STQMWFEESA-N 1 0 298.770 2.948 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000594948874 349525262 /nfs/dbraw/zinc/52/52/62/349525262.db2.gz AWCRBXFXLXXTAB-GWCFXTLKSA-N 1 0 250.273 2.766 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594956300 349528138 /nfs/dbraw/zinc/52/81/38/349528138.db2.gz JCXJKLFYSBCSSS-CYBMUJFWSA-N 1 0 277.368 2.557 20 5 CFBDRO COc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000594984175 349538754 /nfs/dbraw/zinc/53/87/54/349538754.db2.gz HWDHDVUFYDFIRA-HBYGRHMLSA-N 1 0 292.335 2.500 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594985733 349539029 /nfs/dbraw/zinc/53/90/29/349539029.db2.gz OBWKWYJEVHIOTL-NSHDSACASA-N 1 0 256.252 2.730 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCSCC1 ZINC000595014350 349550160 /nfs/dbraw/zinc/55/01/60/349550160.db2.gz OTZGHZMMZUVUJA-GFCCVEGCSA-N 1 0 266.366 2.970 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014559 349550203 /nfs/dbraw/zinc/55/02/03/349550203.db2.gz MHJIOZHUMNJULC-NSHDSACASA-N 1 0 296.367 2.805 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCSCC1 ZINC000595014482 349550381 /nfs/dbraw/zinc/55/03/81/349550381.db2.gz VWZWGVMDWSHUIL-LBPRGKRZSA-N 1 0 296.392 2.979 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035379 349558469 /nfs/dbraw/zinc/55/84/69/349558469.db2.gz IQJNYPGBHNNCQJ-GHMZBOCLSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(OC)CCC1 ZINC000595033489 349557473 /nfs/dbraw/zinc/55/74/73/349557473.db2.gz MHSUHZWBTISWKH-NSHDSACASA-N 1 0 294.351 2.823 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000594995184 349542211 /nfs/dbraw/zinc/54/22/11/349542211.db2.gz QEAHMUHPYONQPA-HNNXBMFYSA-N 1 0 278.352 2.890 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594994602 349542350 /nfs/dbraw/zinc/54/23/50/349542350.db2.gz JAEMALZSNIONJV-GFCCVEGCSA-N 1 0 294.351 2.508 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034432 349558159 /nfs/dbraw/zinc/55/81/59/349558159.db2.gz YHQMFPATUZODIZ-GKUNOOHESA-N 1 0 294.351 2.581 20 5 CFBDRO CC1(C)CC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594998929 349542840 /nfs/dbraw/zinc/54/28/40/349542840.db2.gz MJEWYNGCABTFPK-UHFFFAOYSA-N 1 0 292.335 2.644 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCc2ccco2)cs1 ZINC000594998736 349543156 /nfs/dbraw/zinc/54/31/56/349543156.db2.gz ZUHQBTYZLGQSCD-UHFFFAOYSA-N 1 0 266.322 2.972 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000595005791 349544997 /nfs/dbraw/zinc/54/49/97/349544997.db2.gz GHSRHJJVVMIJAT-YPMHNXCESA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000595045509 349562769 /nfs/dbraw/zinc/56/27/69/349562769.db2.gz MZRXCYYWYVUZEN-UHIISALHSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595069691 349573055 /nfs/dbraw/zinc/57/30/55/349573055.db2.gz QPBAPHLNDWZWLL-BXKDBHETSA-N 1 0 286.278 2.670 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000595039546 349559774 /nfs/dbraw/zinc/55/97/74/349559774.db2.gz GQRYVTPGHPKBQY-GARJFASQSA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](C)CCO ZINC000595040226 349560569 /nfs/dbraw/zinc/56/05/69/349560569.db2.gz DXHYMNYQGUUTHK-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595087725 349577434 /nfs/dbraw/zinc/57/74/34/349577434.db2.gz COWCOKJGRLRHBX-AAEUAGOBSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCC(O)CC1 ZINC000595094986 349580553 /nfs/dbraw/zinc/58/05/53/349580553.db2.gz SGLGVXWPCJZVCC-KOHJWAIASA-N 1 0 290.363 2.723 20 5 CFBDRO CCC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105767 349582974 /nfs/dbraw/zinc/58/29/74/349582974.db2.gz YJDCSNLJYHXMNG-MRVWCRGKSA-N 1 0 264.325 2.549 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595107630 349583280 /nfs/dbraw/zinc/58/32/80/349583280.db2.gz OYDQYFRQILRWRH-GDLCADMTSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCO[C@H]1CC1(F)F ZINC000595070565 349573970 /nfs/dbraw/zinc/57/39/70/349573970.db2.gz YECUJXWQGUDKQU-AAEUAGOBSA-N 1 0 298.289 2.596 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595070844 349574398 /nfs/dbraw/zinc/57/43/98/349574398.db2.gz ZUNGKXGGRCORDD-YDHLFZDLSA-N 1 0 292.379 2.931 20 5 CFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000595309798 349598870 /nfs/dbraw/zinc/59/88/70/349598870.db2.gz AJDGNQQCBVLINJ-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595324435 349602254 /nfs/dbraw/zinc/60/22/54/349602254.db2.gz FOKFOBXVKXQIRH-PSASIEDQSA-N 1 0 253.302 2.512 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595290903 349592739 /nfs/dbraw/zinc/59/27/39/349592739.db2.gz GGELSOCQHIDQOE-SNVBAGLBSA-N 1 0 253.302 2.656 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000595348299 349608946 /nfs/dbraw/zinc/60/89/46/349608946.db2.gz QTQQYPPQMMQPSR-RISCZKNCSA-N 1 0 295.358 2.648 20 5 CFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000595428115 349623217 /nfs/dbraw/zinc/62/32/17/349623217.db2.gz LZRLGAZEIDJTPB-WFASDCNBSA-N 1 0 296.342 2.717 20 5 CFBDRO CCC1(CC)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1OC ZINC000595454961 349631805 /nfs/dbraw/zinc/63/18/05/349631805.db2.gz PLKHSVVDPGKZKV-NEPJUHHUSA-N 1 0 297.355 2.575 20 5 CFBDRO CO[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000595458055 349632513 /nfs/dbraw/zinc/63/25/13/349632513.db2.gz HVNHAIVTQGTOTI-IINYFYTJSA-N 1 0 282.315 2.591 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000595468755 349636638 /nfs/dbraw/zinc/63/66/38/349636638.db2.gz LFUZMWPINNSNLT-BMIGLBTASA-N 1 0 294.326 2.733 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000595473685 349637656 /nfs/dbraw/zinc/63/76/56/349637656.db2.gz AUNSYUTUTVSSMV-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO CN(CCC[NH+]1CCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595477809 349638514 /nfs/dbraw/zinc/63/85/14/349638514.db2.gz YJUCVLFDRHKOCF-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595480946 349639145 /nfs/dbraw/zinc/63/91/45/349639145.db2.gz BQDUOMYEHMEKNR-CQSZACIVSA-N 1 0 282.315 2.783 20 5 CFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000595507801 349645506 /nfs/dbraw/zinc/64/55/06/349645506.db2.gz QYIXTZFJOAZEPR-AWEZNQCLSA-N 1 0 295.408 2.574 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595558711 349658957 /nfs/dbraw/zinc/65/89/57/349658957.db2.gz PNFKPLSALGSLBY-GXFFZTMASA-N 1 0 284.331 2.621 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595558712 349658760 /nfs/dbraw/zinc/65/87/60/349658760.db2.gz PNFKPLSALGSLBY-MFKMUULPSA-N 1 0 284.331 2.621 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566673 349662613 /nfs/dbraw/zinc/66/26/13/349662613.db2.gz JPZCMPZLODQONR-FZMZJTMJSA-N 1 0 276.336 2.978 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000595679769 349697848 /nfs/dbraw/zinc/69/78/48/349697848.db2.gz XXLOYSNIRIJVRS-PWSUYJOCSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CCO ZINC000595696328 349705651 /nfs/dbraw/zinc/70/56/51/349705651.db2.gz KCBSIRGHKPAPRF-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCCOC1 ZINC000595750530 349722991 /nfs/dbraw/zinc/72/29/91/349722991.db2.gz CEKJTAWDBKGFJF-LBPRGKRZSA-N 1 0 276.336 2.934 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752097 349723643 /nfs/dbraw/zinc/72/36/43/349723643.db2.gz SDSQWSZASAWDCX-MLGOLLRUSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704779 349710423 /nfs/dbraw/zinc/71/04/23/349710423.db2.gz VJTDFGRZERUMKZ-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000595704832 349711012 /nfs/dbraw/zinc/71/10/12/349711012.db2.gz WGADBNNMTZYUNR-DOMZBBRYSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@H](C)[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000595704834 349711453 /nfs/dbraw/zinc/71/14/53/349711453.db2.gz WGADBNNMTZYUNR-SWLSCSKDSA-N 1 0 292.379 2.886 20 5 CFBDRO CCc1ccc(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000070497804 346909815 /nfs/dbraw/zinc/90/98/15/346909815.db2.gz PVNWXHXJIVPWCS-UHFFFAOYSA-N 1 0 264.325 2.536 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000070327449 346909834 /nfs/dbraw/zinc/90/98/34/346909834.db2.gz GYCBNVIOLFTUAD-STQMWFEESA-N 1 0 264.325 2.642 20 5 CFBDRO O=C1CCCC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000595808818 349736823 /nfs/dbraw/zinc/73/68/23/349736823.db2.gz XDBSFDPCBAXZSK-UHFFFAOYSA-N 1 0 288.347 2.930 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835045 349746838 /nfs/dbraw/zinc/74/68/38/349746838.db2.gz UIWJOFUDXVFBGO-NWDGAFQWSA-N 1 0 296.754 2.717 20 5 CFBDRO Cc1noc(C[NH2+][C@@H](C)C2CCC(F)CC2)c1[N+](=O)[O-] ZINC000595822586 349743482 /nfs/dbraw/zinc/74/34/82/349743482.db2.gz WYIGAHKZNZPHDG-PUSIOWJLSA-N 1 0 285.319 2.898 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595873279 349760027 /nfs/dbraw/zinc/76/00/27/349760027.db2.gz LFHGYVFEFJCECV-WWGRRREGSA-N 1 0 292.379 2.915 20 5 CFBDRO COc1ccc(C[N@H+](C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000595895468 349764181 /nfs/dbraw/zinc/76/41/81/349764181.db2.gz NQRQGRSINLLQTQ-UHFFFAOYSA-N 1 0 294.376 2.708 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2CC1(C)C2 ZINC000595916381 349769019 /nfs/dbraw/zinc/76/90/19/349769019.db2.gz RJOFYGOLQJWXNM-UHFFFAOYSA-N 1 0 262.309 2.588 20 5 CFBDRO COCCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449109022 536878009 /nfs/dbraw/zinc/87/80/09/536878009.db2.gz WWBSHYXJCIGPQW-ZDUSSCGKSA-N 1 0 280.368 2.932 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145946 349808015 /nfs/dbraw/zinc/80/80/15/349808015.db2.gz ITXMTAMSPHWVKZ-WCBMZHEXSA-N 1 0 269.370 2.859 20 5 CFBDRO CCc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414281819 529756653 /nfs/dbraw/zinc/75/66/53/529756653.db2.gz CBDHVKRZLAVDAU-NSHDSACASA-N 1 0 286.335 2.798 20 5 CFBDRO CC[NH+](CC)CCSc1nc(C)ccc1[N+](=O)[O-] ZINC000127978720 187344405 /nfs/dbraw/zinc/34/44/05/187344405.db2.gz OIJKCUCXSSLQJQ-UHFFFAOYSA-N 1 0 269.370 2.732 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596308290 349859455 /nfs/dbraw/zinc/85/94/55/349859455.db2.gz QTMJSEGXZQOSGO-JTQLQIEISA-N 1 0 296.346 2.661 20 5 CFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000073350499 346973384 /nfs/dbraw/zinc/97/33/84/346973384.db2.gz UOEJJRACRMZLDH-UHFFFAOYSA-N 1 0 261.325 2.634 20 5 CFBDRO C[N@H+](CCNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413072820 529918193 /nfs/dbraw/zinc/91/81/93/529918193.db2.gz LRHZESWSJKUPHF-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cc(NC2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000128119448 187353238 /nfs/dbraw/zinc/35/32/38/187353238.db2.gz LZJXVYFJHRGTQJ-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H](CCNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000596429708 349900438 /nfs/dbraw/zinc/90/04/38/349900438.db2.gz IPQCNXLXQUGQFB-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO COc1cc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000596428633 349900500 /nfs/dbraw/zinc/90/05/00/349900500.db2.gz FXVKFHWFIIXHHC-NSHDSACASA-N 1 0 281.356 2.664 20 5 CFBDRO C[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414828867 529978366 /nfs/dbraw/zinc/97/83/66/529978366.db2.gz LHVSLTKTNQHBAC-UHFFFAOYSA-N 1 0 291.376 2.632 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000313019410 260235702 /nfs/dbraw/zinc/23/57/02/260235702.db2.gz DENOYTSMRLARAK-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)CCCC2)c1 ZINC000096478959 232180628 /nfs/dbraw/zinc/18/06/28/232180628.db2.gz CRMJZXWGVXWAJL-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000596515997 349927051 /nfs/dbraw/zinc/92/70/51/349927051.db2.gz BKFQTFAFAAHAJF-GFCCVEGCSA-N 1 0 278.356 2.503 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097439156 185604440 /nfs/dbraw/zinc/60/44/40/185604440.db2.gz TYOQERHVFBVXDF-FZMZJTMJSA-N 1 0 266.341 2.654 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000295124797 199357698 /nfs/dbraw/zinc/35/76/98/199357698.db2.gz AFYDMROXUNWZDH-GFCCVEGCSA-N 1 0 286.278 2.530 20 5 CFBDRO CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000015259651 346235370 /nfs/dbraw/zinc/23/53/70/346235370.db2.gz HWRLGDYRPMHRBN-UHFFFAOYSA-N 1 0 292.335 2.693 20 5 CFBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000037649787 346332601 /nfs/dbraw/zinc/33/26/01/346332601.db2.gz CSQYUCCYJIUAIR-LBPRGKRZSA-N 1 0 275.352 2.799 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000038000154 346336206 /nfs/dbraw/zinc/33/62/06/346336206.db2.gz SZQWYBAPAKOQDW-HOCLYGCPSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000157 346336992 /nfs/dbraw/zinc/33/69/92/346336992.db2.gz ADEDHLPMQMLCFK-ZBFHGGJFSA-N 1 0 289.379 2.559 20 5 CFBDRO CC(C)(C)[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446756526 535045180 /nfs/dbraw/zinc/04/51/80/535045180.db2.gz JNIBGMHIVJESHO-IQCBXXCUSA-N 1 0 278.352 2.605 20 5 CFBDRO CCCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046037566 346418018 /nfs/dbraw/zinc/41/80/18/346418018.db2.gz DKPQRMMCTQWTHY-UHFFFAOYSA-N 1 0 252.314 2.706 20 5 CFBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000048999513 346478388 /nfs/dbraw/zinc/47/83/88/346478388.db2.gz ANYDMQLJYNNWJW-UHFFFAOYSA-N 1 0 269.370 2.941 20 5 CFBDRO Cc1ccc([C@@H](C)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596647756 349967458 /nfs/dbraw/zinc/96/74/58/349967458.db2.gz BBZIXCSQRNFEMA-GFCCVEGCSA-N 1 0 277.368 2.825 20 5 CFBDRO C[NH2+]C[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596655098 349969218 /nfs/dbraw/zinc/96/92/18/349969218.db2.gz QVOBHRHXZFVQLI-HZMBPMFUSA-N 1 0 277.368 2.515 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000053814242 346553223 /nfs/dbraw/zinc/55/32/23/346553223.db2.gz BIPHCUJADLVQHS-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000060333543 346662181 /nfs/dbraw/zinc/66/21/81/346662181.db2.gz PTQFUJVXGIOEET-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO CCOCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057626888 346632661 /nfs/dbraw/zinc/63/26/61/346632661.db2.gz SXWFWVQSBWCJLG-LLVKDONJSA-N 1 0 252.314 2.624 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000063738871 346708917 /nfs/dbraw/zinc/70/89/17/346708917.db2.gz ZFUVYRLGHOAMRW-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000066808832 346780540 /nfs/dbraw/zinc/78/05/40/346780540.db2.gz SZUDIJVPXRXFEM-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO C[N@H+](CCNc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000066810761 346780570 /nfs/dbraw/zinc/78/05/70/346780570.db2.gz BZQLGAHFLGAHTR-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000075891048 347106035 /nfs/dbraw/zinc/10/60/35/347106035.db2.gz QZZOYSVZPJXABE-GHMZBOCLSA-N 1 0 266.366 2.921 20 5 CFBDRO Cc1c(C[N@@H+]2CCC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000076177558 347127499 /nfs/dbraw/zinc/12/74/99/347127499.db2.gz QPTAYGSIVAVXNW-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078576097 347262839 /nfs/dbraw/zinc/26/28/39/347262839.db2.gz AQWHFYSSWFLQMA-LBPRGKRZSA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1cnc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000078628840 347266084 /nfs/dbraw/zinc/26/60/84/347266084.db2.gz CXLPPPVGGVCHCR-CQSZACIVSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[C@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000078630363 347266332 /nfs/dbraw/zinc/26/63/32/347266332.db2.gz SHJYLTHWXTWKBB-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000078774968 347274633 /nfs/dbraw/zinc/27/46/33/347274633.db2.gz DISVLYBOVJXNAF-UHFFFAOYSA-N 1 0 277.368 2.907 20 5 CFBDRO CN(CC[NH+](C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080684988 347375057 /nfs/dbraw/zinc/37/50/57/347375057.db2.gz KLFUVOVNZXHOBW-UHFFFAOYSA-N 1 0 291.273 2.611 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC12CCC2 ZINC000081545108 347424998 /nfs/dbraw/zinc/42/49/98/347424998.db2.gz APVNCJSDJCQZCL-UHFFFAOYSA-N 1 0 262.309 2.602 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000084961544 347477016 /nfs/dbraw/zinc/47/70/16/347477016.db2.gz ZJKLGBCOZLFXBM-NSHDSACASA-N 1 0 290.319 2.917 20 5 CFBDRO Cc1ccnc(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000085688185 347481907 /nfs/dbraw/zinc/48/19/07/347481907.db2.gz RCNXNKYTFZTJNB-NSHDSACASA-N 1 0 280.372 2.686 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726445 347508601 /nfs/dbraw/zinc/50/86/01/347508601.db2.gz UTTOCDGJTRIYFC-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537973 347551528 /nfs/dbraw/zinc/55/15/28/347551528.db2.gz ZEQDSXOQBCBCJT-UONOGXRCSA-N 1 0 280.372 2.596 20 5 CFBDRO CC[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092657601 347637876 /nfs/dbraw/zinc/63/78/76/347637876.db2.gz FVZLWGFYRLUFCX-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO COc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093503550 347678357 /nfs/dbraw/zinc/67/83/57/347678357.db2.gz AYIQAYNZLLNHMT-GHMZBOCLSA-N 1 0 294.351 2.700 20 5 CFBDRO Cc1c(OCCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000134493804 347898729 /nfs/dbraw/zinc/89/87/29/347898729.db2.gz NMGLAKUJONAESO-UHFFFAOYSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[NH+]1CCC(CNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000134914012 347902312 /nfs/dbraw/zinc/90/23/12/347902312.db2.gz ZFYWRKJZVSEWCH-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO CN(CCc1ccccc1[N+](=O)[O-])CC[NH+]1CCCCC1 ZINC000136926457 347911377 /nfs/dbraw/zinc/91/13/77/347911377.db2.gz IKHDJAMRZZPCKJ-UHFFFAOYSA-N 1 0 291.395 2.555 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151210976 347960555 /nfs/dbraw/zinc/96/05/55/347960555.db2.gz BPAVFFGVLZSNAT-DZGCQCFKSA-N 1 0 294.395 2.913 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000517946231 260324086 /nfs/dbraw/zinc/32/40/86/260324086.db2.gz ZOPJBTIEYXCQHE-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(O)cc1 ZINC000228410866 348195722 /nfs/dbraw/zinc/19/57/22/348195722.db2.gz CCBHGADCLZTDHX-UHFFFAOYSA-N 1 0 288.303 2.599 20 5 CFBDRO Cc1cncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000228682800 348197373 /nfs/dbraw/zinc/19/73/73/348197373.db2.gz ILJFMCJZNLBROF-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CSCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000229247050 348198592 /nfs/dbraw/zinc/19/85/92/348198592.db2.gz BGJIDNFNJRJJHG-UHFFFAOYSA-N 1 0 268.382 2.870 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883658 348208761 /nfs/dbraw/zinc/20/87/61/348208761.db2.gz GORWNTTWYFPJDV-SKDRFNHKSA-N 1 0 266.366 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCOCC2CC2)cc1 ZINC000236417926 348233507 /nfs/dbraw/zinc/23/35/07/348233507.db2.gz QTSPFEVICMGQPW-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO CCC[C@@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087009755 179378484 /nfs/dbraw/zinc/37/84/84/179378484.db2.gz OTYDUDCCQBJHEJ-CYBMUJFWSA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250072605 348285719 /nfs/dbraw/zinc/28/57/19/348285719.db2.gz ALEUHBJALHEQNI-ZBFHGGJFSA-N 1 0 289.379 2.701 20 5 CFBDRO COCC1(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000291060403 348354086 /nfs/dbraw/zinc/35/40/86/348354086.db2.gz JVTXUYCWRWCKFF-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO COCC1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000291251042 348354127 /nfs/dbraw/zinc/35/41/27/348354127.db2.gz VZONXRLYYRXRMD-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293256218 348361703 /nfs/dbraw/zinc/36/17/03/348361703.db2.gz UEYVYQJWRAKRQM-CHWSQXEVSA-N 1 0 278.352 2.750 20 5 CFBDRO CCC[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000312808487 348420180 /nfs/dbraw/zinc/42/01/80/348420180.db2.gz ROQBIZGHFYDRHX-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312648370 348420457 /nfs/dbraw/zinc/42/04/57/348420457.db2.gz FBFVFJIEYXCSQO-PHIMTYICSA-N 1 0 295.770 2.684 20 5 CFBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)ccnc21 ZINC000317090304 348433438 /nfs/dbraw/zinc/43/34/38/348433438.db2.gz AGKCWLQYPPLGSC-LLVKDONJSA-N 1 0 298.346 2.792 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000314128297 348424880 /nfs/dbraw/zinc/42/48/80/348424880.db2.gz ICJWIBSLNJVYEM-LBPRGKRZSA-N 1 0 295.358 2.554 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000314395275 348425180 /nfs/dbraw/zinc/42/51/80/348425180.db2.gz CYUMIFCMKWNUNG-RYUDHWBXSA-N 1 0 293.367 2.806 20 5 CFBDRO Cc1cccnc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000404895989 348595502 /nfs/dbraw/zinc/59/55/02/348595502.db2.gz NSZMMKUFKXBMGW-UHFFFAOYSA-N 1 0 285.347 2.673 20 5 CFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000273943690 192372346 /nfs/dbraw/zinc/37/23/46/192372346.db2.gz DPOBFCLRGSYCKQ-JQWIXIFHSA-N 1 0 294.351 2.581 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC(C)(C)C2)c1 ZINC000589498461 348835818 /nfs/dbraw/zinc/83/58/18/348835818.db2.gz XYYBNSFHLGGADA-UHFFFAOYSA-N 1 0 292.335 2.613 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000589494961 348836404 /nfs/dbraw/zinc/83/64/04/348836404.db2.gz DOUAUHILCOLMTA-NSHDSACASA-N 1 0 294.351 2.858 20 5 CFBDRO CCC[N@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494745 348836504 /nfs/dbraw/zinc/83/65/04/348836504.db2.gz ZFZKKXCMWVRNOQ-UHFFFAOYSA-N 1 0 280.324 2.613 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589601370 348841687 /nfs/dbraw/zinc/84/16/87/348841687.db2.gz WGLLSVZVOKVLBD-VIFPVBQESA-N 1 0 257.359 2.797 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589686895 348850307 /nfs/dbraw/zinc/85/03/07/348850307.db2.gz YGZHBRMDCGOPCU-GFCCVEGCSA-N 1 0 293.342 2.939 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[C@@H]2F)n1 ZINC000590263989 348887607 /nfs/dbraw/zinc/88/76/07/348887607.db2.gz GQZXLDARYFLRLY-UMSGYPCISA-N 1 0 296.346 2.755 20 5 CFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000590751800 348942279 /nfs/dbraw/zinc/94/22/79/348942279.db2.gz JGNAAJSXMRGFSR-RTXFEEFZSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@@H]3CCCOC3)C2)cc1 ZINC000590757635 348944024 /nfs/dbraw/zinc/94/40/24/348944024.db2.gz WSTBJKZTAYLCBG-GOEBONIOSA-N 1 0 290.363 2.953 20 5 CFBDRO Cc1cc(N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000590567681 348909326 /nfs/dbraw/zinc/90/93/26/348909326.db2.gz GICLZTMLPGBZHH-UHFFFAOYSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000591442902 349022725 /nfs/dbraw/zinc/02/27/25/349022725.db2.gz MAFJSZRTUMCRCA-CQSZACIVSA-N 1 0 289.379 2.729 20 5 CFBDRO C[C@H]1CC2(C[N@@H+]1Cc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591658936 349037909 /nfs/dbraw/zinc/03/79/09/349037909.db2.gz SRADMJKXBZSGEN-ZDUSSCGKSA-N 1 0 289.379 2.559 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414216305 233198481 /nfs/dbraw/zinc/19/84/81/233198481.db2.gz ZLWCGSFRRUCNRV-QWHCGFSZSA-N 1 0 280.368 2.788 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c(Cl)c1 ZINC000592357696 349108990 /nfs/dbraw/zinc/10/89/90/349108990.db2.gz KMFGAQQTQRVVQN-JTQLQIEISA-N 1 0 294.698 2.723 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592372852 349111368 /nfs/dbraw/zinc/11/13/68/349111368.db2.gz WDLOAWJUWICCGI-VIFPVBQESA-N 1 0 258.268 2.976 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCS[C@@H]1C ZINC000592379968 349112902 /nfs/dbraw/zinc/11/29/02/349112902.db2.gz DMVMPHSISLOVBN-MFKMUULPSA-N 1 0 266.366 2.887 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000414200015 233193867 /nfs/dbraw/zinc/19/38/67/233193867.db2.gz LHVDTUVCXFQILU-VXGBXAGGSA-N 1 0 266.341 2.918 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290840701 197835500 /nfs/dbraw/zinc/83/55/00/197835500.db2.gz ITUJVOXDWSNEPV-VFADXPBXSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593115115 349212392 /nfs/dbraw/zinc/21/23/92/349212392.db2.gz ICOKUXKFFLGJJM-LBPRGKRZSA-N 1 0 268.263 2.826 20 5 CFBDRO CC(C)C[N@H+](C)CCCNCc1csc([N+](=O)[O-])c1 ZINC000593645458 349303190 /nfs/dbraw/zinc/30/31/90/349303190.db2.gz IYOUBVFYCNPXAE-UHFFFAOYSA-N 1 0 285.413 2.724 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593473888 349277071 /nfs/dbraw/zinc/27/70/71/349277071.db2.gz VJGVEISXBVSUFL-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2CC2CCCC2)n1 ZINC000594052817 349365143 /nfs/dbraw/zinc/36/51/43/349365143.db2.gz HNKMWXPWQGRFLL-CQSZACIVSA-N 1 0 292.383 2.836 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)SC2)cc1[N+](=O)[O-] ZINC000594493757 349428928 /nfs/dbraw/zinc/42/89/28/349428928.db2.gz RGQRPQHBCKXEAU-PWSUYJOCSA-N 1 0 296.392 2.977 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000594495251 349430364 /nfs/dbraw/zinc/43/03/64/349430364.db2.gz OXUBPQDOZWBXMI-ZYHUDNBSSA-N 1 0 266.366 2.969 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502166 349433133 /nfs/dbraw/zinc/43/31/33/349433133.db2.gz YRDZTPPYLWNBPW-MISXGVKJSA-N 1 0 276.336 2.739 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594503511 349433225 /nfs/dbraw/zinc/43/32/25/349433225.db2.gz WKLDPGSXNXKOAO-RYUDHWBXSA-N 1 0 296.392 2.847 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC34CC4)nc2c1 ZINC000597117407 350032845 /nfs/dbraw/zinc/03/28/45/350032845.db2.gz OVISLQQXOMRHDM-ZDUSSCGKSA-N 1 0 286.335 2.893 20 5 CFBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCCc2n[nH]cc2C1 ZINC000597258044 350074274 /nfs/dbraw/zinc/07/42/74/350074274.db2.gz KLZKUURPYGVTET-ZZXKWVIFSA-N 1 0 298.346 2.780 20 5 CFBDRO Cc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1C ZINC000090539938 180000490 /nfs/dbraw/zinc/00/04/90/180000490.db2.gz FPIMFSPOQHMWOC-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO Cc1cnc(NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000090691953 180024706 /nfs/dbraw/zinc/02/47/06/180024706.db2.gz XYSQSKVWISULMX-UHFFFAOYSA-N 1 0 280.372 2.829 20 5 CFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000598632524 350297499 /nfs/dbraw/zinc/29/74/99/350297499.db2.gz FMMHRPQDZNXILN-UHFFFAOYSA-N 1 0 269.732 2.802 20 5 CFBDRO C[NH2+]C1(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CCC1 ZINC000598636580 350298206 /nfs/dbraw/zinc/29/82/06/350298206.db2.gz ZJPVIFVGHWGZTF-UHFFFAOYSA-N 1 0 299.758 2.811 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598647433 350301273 /nfs/dbraw/zinc/30/12/73/350301273.db2.gz MCSHYCQYSYKQRJ-SNVBAGLBSA-N 1 0 286.278 2.738 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598683335 350309765 /nfs/dbraw/zinc/30/97/65/350309765.db2.gz RRMMKNZMMYWBRP-WOSRLPQWSA-N 1 0 289.379 2.777 20 5 CFBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000598616578 350294768 /nfs/dbraw/zinc/29/47/68/350294768.db2.gz MGWJEALAQPCWPN-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000598989561 350355138 /nfs/dbraw/zinc/35/51/38/350355138.db2.gz MADKUOGIUARNJD-CQSZACIVSA-N 1 0 266.341 2.890 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599000810 350357230 /nfs/dbraw/zinc/35/72/30/350357230.db2.gz WFFGIZRQPBXYAR-YXMPFFBPSA-N 1 0 278.352 2.805 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000599000848 350357419 /nfs/dbraw/zinc/35/74/19/350357419.db2.gz XRVYHYKMVXXGTQ-JXVAYASWSA-N 1 0 270.354 2.558 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000599000372 350357481 /nfs/dbraw/zinc/35/74/81/350357481.db2.gz SGJDLNFNVMGCEV-PUXPGTEJSA-N 1 0 282.315 2.635 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006318 350358366 /nfs/dbraw/zinc/35/83/66/350358366.db2.gz GXEHMLHKNKGJRH-UKRRQHHQSA-N 1 0 276.336 2.560 20 5 CFBDRO O=[N+]([O-])c1c(NCC2CCOCC2)ccc2cnccc21 ZINC000599033758 350362147 /nfs/dbraw/zinc/36/21/47/350362147.db2.gz BYNKDRAMGRFLMN-UHFFFAOYSA-N 1 0 287.319 2.982 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129652356 187444459 /nfs/dbraw/zinc/44/44/59/187444459.db2.gz FMZGJFMWDRISAE-HONMWMINSA-N 1 0 278.352 2.713 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599041868 350363685 /nfs/dbraw/zinc/36/36/85/350363685.db2.gz XJDGFWXDBCQCOM-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000599083368 350372336 /nfs/dbraw/zinc/37/23/36/350372336.db2.gz KBHVUPYIMFJSOS-AWEZNQCLSA-N 1 0 287.319 2.936 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000599091257 350374264 /nfs/dbraw/zinc/37/42/64/350374264.db2.gz IYQQPTUZSBPMJN-UPJWGTAASA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599093601 350375104 /nfs/dbraw/zinc/37/51/04/350375104.db2.gz SKKLWICOSPZMCC-RAIGVLPGSA-N 1 0 264.325 2.731 20 5 CFBDRO C[C@@H](CCNc1ccc2cnccc2c1[N+](=O)[O-])[NH+](C)C ZINC000599102179 350376576 /nfs/dbraw/zinc/37/65/76/350376576.db2.gz OWNZBKGBGPDRJK-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599137770 350383157 /nfs/dbraw/zinc/38/31/57/350383157.db2.gz CWIYTMDLMXYYCN-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626543 350467062 /nfs/dbraw/zinc/46/70/62/350467062.db2.gz RBQSSTBUFLBIAF-DDIVZENXSA-N 1 0 294.351 2.505 20 5 CFBDRO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000107904469 186197543 /nfs/dbraw/zinc/19/75/43/186197543.db2.gz KWDCLZPWHHZBOM-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000110793331 186325621 /nfs/dbraw/zinc/32/56/21/186325621.db2.gz KQHDDXJKRDJKDB-JTQLQIEISA-N 1 0 267.304 2.536 20 5 CFBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000601114021 350671396 /nfs/dbraw/zinc/67/13/96/350671396.db2.gz UHFYAXKKCKIPHY-UHFFFAOYSA-N 1 0 295.726 2.877 20 5 CFBDRO CCOc1cc(NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111052096 186348492 /nfs/dbraw/zinc/34/84/92/186348492.db2.gz BHGLKKWYMWZXCO-GFCCVEGCSA-N 1 0 293.367 2.795 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000601140291 350680426 /nfs/dbraw/zinc/68/04/26/350680426.db2.gz SXQKVONXFZSORS-GPAKFWEMSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601149556 350682065 /nfs/dbraw/zinc/68/20/65/350682065.db2.gz MXEBLMNQEMSRMS-HAHYFUCESA-N 1 0 276.336 2.764 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000601189340 350692349 /nfs/dbraw/zinc/69/23/49/350692349.db2.gz PXOAAHLMHZFCHX-CYBMUJFWSA-N 1 0 292.383 2.527 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCCC[C@H]([NH3+])C1 ZINC000601323582 350723755 /nfs/dbraw/zinc/72/37/55/350723755.db2.gz CJUZPARSNZKNAL-JSGCOSHPSA-N 1 0 277.368 2.859 20 5 CFBDRO CC1(C)C[NH2+]CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601970488 350821613 /nfs/dbraw/zinc/82/16/13/350821613.db2.gz KAEOTQLLBFXANW-GFCCVEGCSA-N 1 0 295.358 2.602 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCCC[C@H]([NH3+])C1 ZINC000602023499 350834799 /nfs/dbraw/zinc/83/47/99/350834799.db2.gz WQWINIKJUBAAAG-AWEZNQCLSA-N 1 0 277.368 2.607 20 5 CFBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481244 350900864 /nfs/dbraw/zinc/90/08/64/350900864.db2.gz CGNOBKHWEIEQKF-YPMHNXCESA-N 1 0 280.372 2.729 20 5 CFBDRO CC1(C)C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602527870 350914962 /nfs/dbraw/zinc/91/49/62/350914962.db2.gz NBTXXPUELOZCNK-LLVKDONJSA-N 1 0 261.281 2.624 20 5 CFBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC[C@H]1O ZINC000602573595 350929313 /nfs/dbraw/zinc/92/93/13/350929313.db2.gz SOPUXMWYDUNZSO-HZPDHXFCSA-N 1 0 292.379 2.668 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccccn2)cc1 ZINC000602574342 350930160 /nfs/dbraw/zinc/93/01/60/350930160.db2.gz JTDAFDAVGHCHSL-UHFFFAOYSA-N 1 0 285.347 2.755 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000602579774 350932367 /nfs/dbraw/zinc/93/23/67/350932367.db2.gz GUFOVAUMCZGMAN-CMPLNLGQSA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(F)F ZINC000602580580 350932799 /nfs/dbraw/zinc/93/27/99/350932799.db2.gz OIYPCLSZHISPNS-SKDRFNHKSA-N 1 0 270.279 2.771 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CC1(F)F ZINC000602580571 350932840 /nfs/dbraw/zinc/93/28/40/350932840.db2.gz OIYPCLSZHISPNS-BXKDBHETSA-N 1 0 270.279 2.771 20 5 CFBDRO CCC[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000602441174 350884035 /nfs/dbraw/zinc/88/40/35/350884035.db2.gz UYQSSBOSQBWRFR-ZDUSSCGKSA-N 1 0 266.341 2.842 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689338 350980679 /nfs/dbraw/zinc/98/06/79/350980679.db2.gz CJXWHGIOVNPIAO-OTVXOJSOSA-N 1 0 278.352 2.683 20 5 CFBDRO Cn1cc(C[N@@H+]2CCCC3(CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602706281 350989961 /nfs/dbraw/zinc/98/99/61/350989961.db2.gz KEPWBLREQSRENX-UHFFFAOYSA-N 1 0 292.383 2.875 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000602717328 350998151 /nfs/dbraw/zinc/99/81/51/350998151.db2.gz ZXXFPSMICAWMIP-NSHDSACASA-N 1 0 270.279 2.772 20 5 CFBDRO CC1(C)OCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602725475 351001320 /nfs/dbraw/zinc/00/13/20/351001320.db2.gz XSMZIEXTAFIGSZ-ZDUSSCGKSA-N 1 0 278.352 2.542 20 5 CFBDRO CC(C)C1(C)CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602620699 350950164 /nfs/dbraw/zinc/95/01/64/350950164.db2.gz DJADTYMAGLEQQO-UHFFFAOYSA-N 1 0 280.372 2.586 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000602764810 351016809 /nfs/dbraw/zinc/01/68/09/351016809.db2.gz YLUSCIOKEGWFGK-AAEUAGOBSA-N 1 0 280.372 2.610 20 5 CFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602811189 351034605 /nfs/dbraw/zinc/03/46/05/351034605.db2.gz LEWIPFCNJFCDBB-STQMWFEESA-N 1 0 280.372 2.658 20 5 CFBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000602812652 351034941 /nfs/dbraw/zinc/03/49/41/351034941.db2.gz BJSKQUVYZPYXFP-WCQYABFASA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000602810261 351035001 /nfs/dbraw/zinc/03/50/01/351035001.db2.gz GHUGASYGXCFXFQ-NQBHXWOUSA-N 1 0 280.372 2.514 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000602810259 351035223 /nfs/dbraw/zinc/03/52/23/351035223.db2.gz GHUGASYGXCFXFQ-DMDPSCGWSA-N 1 0 280.372 2.514 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC000602838951 351041971 /nfs/dbraw/zinc/04/19/71/351041971.db2.gz DDAPHFJQLQIZIV-GFCCVEGCSA-N 1 0 282.388 2.904 20 5 CFBDRO CC[N@H+]1[C@H](C)CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000602873723 351054798 /nfs/dbraw/zinc/05/47/98/351054798.db2.gz JRKSJCDYGJLDSS-PHIMTYICSA-N 1 0 283.397 2.571 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ncccn2)cc1 ZINC000602895301 351059750 /nfs/dbraw/zinc/05/97/50/351059750.db2.gz BOEWVBNDDLKAFC-AWEZNQCLSA-N 1 0 284.319 2.722 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000602903792 351061606 /nfs/dbraw/zinc/06/16/06/351061606.db2.gz RPEVISDYYLCZIV-QFWMXSHPSA-N 1 0 298.362 2.606 20 5 CFBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602906944 351062298 /nfs/dbraw/zinc/06/22/98/351062298.db2.gz VJQNRCFIJYDLAZ-WCQYABFASA-N 1 0 280.372 2.753 20 5 CFBDRO C/C=C\C[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602915304 351063876 /nfs/dbraw/zinc/06/38/76/351063876.db2.gz AHYCHUUIHPFDCH-NQHOJNORSA-N 1 0 292.383 2.778 20 5 CFBDRO CC[C@]1(O)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000602982208 351083059 /nfs/dbraw/zinc/08/30/59/351083059.db2.gz OYFQNFDCSJPVJW-WFASDCNBSA-N 1 0 278.352 2.893 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000603405716 351157379 /nfs/dbraw/zinc/15/73/79/351157379.db2.gz DMYXOMJPUNWWGF-ZYHUDNBSSA-N 1 0 267.304 2.629 20 5 CFBDRO CCOc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000603406606 351158237 /nfs/dbraw/zinc/15/82/37/351158237.db2.gz MAKAJJWTEQKSOJ-CHWSQXEVSA-N 1 0 293.367 2.888 20 5 CFBDRO COC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000603428787 351163245 /nfs/dbraw/zinc/16/32/45/351163245.db2.gz RJPODNHBMMZCSB-HZMBPMFUSA-N 1 0 264.325 2.597 20 5 CFBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000603854508 351186159 /nfs/dbraw/zinc/18/61/59/351186159.db2.gz LODXNOSBLAZQLR-AWEZNQCLSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609354074 351498460 /nfs/dbraw/zinc/49/84/60/351498460.db2.gz JIILEVNPGYHQDS-TXEJJXNPSA-N 1 0 278.356 2.665 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000609595495 351510822 /nfs/dbraw/zinc/51/08/22/351510822.db2.gz CRUDIEMMLKYPSX-SNVBAGLBSA-N 1 0 269.370 2.623 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000609595660 351511069 /nfs/dbraw/zinc/51/10/69/351511069.db2.gz XQTTZXPULAOTAI-JTQLQIEISA-N 1 0 269.370 2.623 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000609839950 351521937 /nfs/dbraw/zinc/52/19/37/351521937.db2.gz PZFLUQDPYSWTBB-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCC[NH+](C)C ZINC000610156548 351535827 /nfs/dbraw/zinc/53/58/27/351535827.db2.gz HSRRNKXOCCGVDU-UHFFFAOYSA-N 1 0 293.367 2.882 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610282860 351549300 /nfs/dbraw/zinc/54/93/00/351549300.db2.gz AGZWSABDZPCAAV-LLVKDONJSA-N 1 0 283.397 2.824 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000609766789 351518499 /nfs/dbraw/zinc/51/84/99/351518499.db2.gz QQPZKSBNSLKUJX-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420535 351564998 /nfs/dbraw/zinc/56/49/98/351564998.db2.gz OCVBFUVQSCVNLE-WFASDCNBSA-N 1 0 289.379 2.730 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@@H]21 ZINC000610808061 351610673 /nfs/dbraw/zinc/61/06/73/351610673.db2.gz ZRIWBYQBINEWAN-MNOVXSKESA-N 1 0 281.381 2.577 20 5 CFBDRO CC[N@@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092368 351640323 /nfs/dbraw/zinc/64/03/23/351640323.db2.gz RHHNIVQYZHDWHU-STQMWFEESA-N 1 0 277.368 2.682 20 5 CFBDRO CC[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092034 351640385 /nfs/dbraw/zinc/64/03/85/351640385.db2.gz HCXJISLOKTZZAT-STQMWFEESA-N 1 0 277.368 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000611179942 351648997 /nfs/dbraw/zinc/64/89/97/351648997.db2.gz OFFXVWCJNFFYQK-SNVBAGLBSA-N 1 0 256.252 2.682 20 5 CFBDRO CC(C)CC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254219 351657947 /nfs/dbraw/zinc/65/79/47/351657947.db2.gz VMGXDTBHVQOMIE-UHFFFAOYSA-N 1 0 294.351 2.844 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611259429 351660246 /nfs/dbraw/zinc/66/02/46/351660246.db2.gz CGZXTHKLHKSGLV-LLVKDONJSA-N 1 0 294.351 2.844 20 5 CFBDRO CCC[N@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610930374 351622514 /nfs/dbraw/zinc/62/25/14/351622514.db2.gz HTAPMLNTCMZIKQ-UHFFFAOYSA-N 1 0 280.324 2.598 20 5 CFBDRO Cc1ccc(C[N@H+](CCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000611269446 351661194 /nfs/dbraw/zinc/66/11/94/351661194.db2.gz KDQPGGRVKRGIBT-UHFFFAOYSA-N 1 0 280.368 2.744 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C ZINC000611285456 351664304 /nfs/dbraw/zinc/66/43/04/351664304.db2.gz FAOZMAJUZLJTAH-QWRGUYRKSA-N 1 0 292.335 2.596 20 5 CFBDRO CCC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611314536 351668531 /nfs/dbraw/zinc/66/85/31/351668531.db2.gz BPAGSZATYDYMLW-UHFFFAOYSA-N 1 0 278.352 2.768 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337503 351669606 /nfs/dbraw/zinc/66/96/06/351669606.db2.gz VMLFBQZPWCXXHD-BXUZGUMPSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C[NH+](C)C ZINC000291660371 198054216 /nfs/dbraw/zinc/05/42/16/198054216.db2.gz CRXBRORFNVRURQ-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+]2CCCCC2)n1 ZINC000611616060 351714415 /nfs/dbraw/zinc/71/44/15/351714415.db2.gz WKLLUPMFZFETCI-UHFFFAOYSA-N 1 0 278.356 2.504 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000611616933 351715699 /nfs/dbraw/zinc/71/56/99/351715699.db2.gz WFPGJSQKYDWUAF-LBPRGKRZSA-N 1 0 294.399 2.995 20 5 CFBDRO COCC(C)(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000291706260 198064839 /nfs/dbraw/zinc/06/48/39/198064839.db2.gz KWDGNIKECSSJPW-SOFGYWHQSA-N 1 0 278.352 2.870 20 5 CFBDRO CCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612576885 351838096 /nfs/dbraw/zinc/83/80/96/351838096.db2.gz UVRKIQLVSGMWSX-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122263971 187023258 /nfs/dbraw/zinc/02/32/58/187023258.db2.gz IIVUNZMOFDFLRM-ONGXEEELSA-N 1 0 279.315 2.771 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122941489 187061370 /nfs/dbraw/zinc/06/13/70/187061370.db2.gz UWERNRBLYBGJRJ-RYUDHWBXSA-N 1 0 275.352 2.940 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000123267875 187081154 /nfs/dbraw/zinc/08/11/54/187081154.db2.gz VQTJRDUDPZITIZ-HIFRSBDPSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC2(CCC2)C1 ZINC000123462711 187093148 /nfs/dbraw/zinc/09/31/48/187093148.db2.gz KNUKDIHEHBCAOK-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000271453198 191145106 /nfs/dbraw/zinc/14/51/06/191145106.db2.gz GLDRYJDLYCXGMW-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@H](Cc1ccncc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000613617034 351988076 /nfs/dbraw/zinc/98/80/76/351988076.db2.gz HZASXYVCXNTVGK-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1cccnc1[N+](=O)[O-] ZINC000615945784 352266027 /nfs/dbraw/zinc/26/60/27/352266027.db2.gz FECYLJNQZPXBLO-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO CCOC(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292114854 198168180 /nfs/dbraw/zinc/16/81/80/198168180.db2.gz JMJHEMCXZCHBLK-UHFFFAOYSA-N 1 0 294.351 2.763 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000617491720 352572265 /nfs/dbraw/zinc/57/22/65/352572265.db2.gz QKOVMHNPVRTOLK-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000618197886 352736829 /nfs/dbraw/zinc/73/68/29/352736829.db2.gz RBWZSBSHZYXLGQ-OAHLLOKOSA-N 1 0 298.342 2.948 20 5 CFBDRO CN1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618565161 352810630 /nfs/dbraw/zinc/81/06/30/352810630.db2.gz CSXPQMMJLVKXII-CJNGLKHVSA-N 1 0 289.379 2.656 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCCC1)CCC2 ZINC000618568422 352812283 /nfs/dbraw/zinc/81/22/83/352812283.db2.gz SJYQROHVFNULMG-HNNXBMFYSA-N 1 0 290.363 2.867 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)N(C)C)cccc1[N+](=O)[O-] ZINC000152612288 188032096 /nfs/dbraw/zinc/03/20/96/188032096.db2.gz YGPXDBTZYJSMIT-LBPRGKRZSA-N 1 0 279.384 2.894 20 5 CFBDRO COc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152970847 188057259 /nfs/dbraw/zinc/05/72/59/188057259.db2.gz UJDBHIRAWHHNAD-CHWSQXEVSA-N 1 0 276.336 2.835 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCOC1)C1CC1 ZINC000153105402 188065435 /nfs/dbraw/zinc/06/54/35/188065435.db2.gz KVYNSDLNXSVFDE-IUODEOHRSA-N 1 0 290.363 2.542 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC000153105047 188065483 /nfs/dbraw/zinc/06/54/83/188065483.db2.gz KVYNSDLNXSVFDE-WFASDCNBSA-N 1 0 290.363 2.542 20 5 CFBDRO CC(C)OCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153264611 188073811 /nfs/dbraw/zinc/07/38/11/188073811.db2.gz IZLMJJGPYJFKQT-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000153762726 188101678 /nfs/dbraw/zinc/10/16/78/188101678.db2.gz BBEBNHXZPCOMKY-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO C[C@@H](CCCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000168247907 295856150 /nfs/dbraw/zinc/85/61/50/295856150.db2.gz KBEOWEFZYLQOKK-SWLSCSKDSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000154560968 188150226 /nfs/dbraw/zinc/15/02/26/188150226.db2.gz QWGWMPDCNGOOMI-TZMCWYRMSA-N 1 0 277.368 2.648 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000271685616 191275365 /nfs/dbraw/zinc/27/53/65/191275365.db2.gz DHMSILIQEOVSSC-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293086063 198520791 /nfs/dbraw/zinc/52/07/91/198520791.db2.gz OGOZGVSMQQLDLR-AWEZNQCLSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271783797 191323454 /nfs/dbraw/zinc/32/34/54/191323454.db2.gz HYMZTJKUCUKDDR-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000271821107 191349615 /nfs/dbraw/zinc/34/96/15/191349615.db2.gz MWZVIXPAZHSMGA-FAQJLRJSSA-N 1 0 276.336 2.623 20 5 CFBDRO COC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000296026059 199757400 /nfs/dbraw/zinc/75/74/00/199757400.db2.gz MVVSCXZKUSTWCT-UHFFFAOYSA-N 1 0 270.354 2.705 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296027754 199758421 /nfs/dbraw/zinc/75/84/21/199758421.db2.gz OWJSVIOAMYMFKQ-UHFFFAOYSA-N 1 0 290.367 2.606 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286190189 291127448 /nfs/dbraw/zinc/12/74/48/291127448.db2.gz BAJLDMNBRGJDFS-AAEUAGOBSA-N 1 0 293.342 2.797 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294757608 199168591 /nfs/dbraw/zinc/16/85/91/199168591.db2.gz MIRVJRRYPVYXBP-JQWIXIFHSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294757624 199169247 /nfs/dbraw/zinc/16/92/47/199169247.db2.gz MIRVJRRYPVYXBP-PWSUYJOCSA-N 1 0 293.367 2.785 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294927894 199255178 /nfs/dbraw/zinc/25/51/78/199255178.db2.gz ZFRQOMVTFYXFOT-HZRUHFOJSA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCC2)no1 ZINC000422552694 237101583 /nfs/dbraw/zinc/10/15/83/237101583.db2.gz REBHIRCJLXEMRS-UHFFFAOYSA-N 1 0 288.307 2.600 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916813 237345601 /nfs/dbraw/zinc/34/56/01/237345601.db2.gz BOAUYHSHBGNUTE-BZPMIXESSA-N 1 0 277.368 2.694 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000178427345 189115331 /nfs/dbraw/zinc/11/53/31/189115331.db2.gz ROIGMBOXIRQUHQ-QWHCGFSZSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000301562035 540906504 /nfs/dbraw/zinc/90/65/04/540906504.db2.gz KRWCKUMJQUZJBT-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423253600 238310844 /nfs/dbraw/zinc/31/08/44/238310844.db2.gz ZCEWJQRILJYFBI-BLLLJJGKSA-N 1 0 285.347 2.945 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000301206522 200938596 /nfs/dbraw/zinc/93/85/96/200938596.db2.gz ZJHKYHCNNLZFGN-UHFFFAOYSA-N 1 0 269.320 2.876 20 5 CFBDRO Cc1nc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301653873 201118976 /nfs/dbraw/zinc/11/89/76/201118976.db2.gz RIZWVSLFJZDNPQ-VXGBXAGGSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCC(C[NH+](C)C)CC1 ZINC000301792331 201200309 /nfs/dbraw/zinc/20/03/09/201200309.db2.gz OOVAXRXBTXKDLU-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184288118 189382133 /nfs/dbraw/zinc/38/21/33/189382133.db2.gz ODHHHHYSVXAYFI-YZIJFISFSA-N 1 0 298.408 2.793 20 5 CFBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184546651 189388988 /nfs/dbraw/zinc/38/89/88/189388988.db2.gz AJEZMXZVVYFKHP-AWEZNQCLSA-N 1 0 290.319 2.708 20 5 CFBDRO C[NH+](C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000301804879 201208826 /nfs/dbraw/zinc/20/88/26/201208826.db2.gz VNTLCGSTUXRPOB-LBPRGKRZSA-N 1 0 285.294 2.625 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2sccc2[N+](=O)[O-])C1 ZINC000301920669 201262284 /nfs/dbraw/zinc/26/22/84/201262284.db2.gz DCRIVIUAHMZMQS-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000301918930 201262375 /nfs/dbraw/zinc/26/23/75/201262375.db2.gz BVDGXJGPFGKOHH-NSHDSACASA-N 1 0 283.397 2.824 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000301993064 201289913 /nfs/dbraw/zinc/28/99/13/201289913.db2.gz GPXQLPWRGBOBEH-LBPRGKRZSA-N 1 0 295.408 2.969 20 5 CFBDRO Cc1ccoc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425977980 239146989 /nfs/dbraw/zinc/14/69/89/239146989.db2.gz XEBPDGRMAOZDMZ-UHFFFAOYSA-N 1 0 290.323 2.530 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000286582558 291306625 /nfs/dbraw/zinc/30/66/25/291306625.db2.gz YLAIFWMAFYZWEF-QWHCGFSZSA-N 1 0 275.352 2.658 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000434790645 240274158 /nfs/dbraw/zinc/27/41/58/240274158.db2.gz XFEQMZRJGVSMHA-INIZCTEOSA-N 1 0 289.379 2.701 20 5 CFBDRO Cc1cccc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000275420323 193029904 /nfs/dbraw/zinc/02/99/04/193029904.db2.gz HIGSDMXNXACXMZ-UHFFFAOYSA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ncsc3C2)cc1 ZINC000445870594 241248790 /nfs/dbraw/zinc/24/87/90/241248790.db2.gz BITSNZIGKLCYTJ-UHFFFAOYSA-N 1 0 289.360 2.652 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446829572 241329708 /nfs/dbraw/zinc/32/97/08/241329708.db2.gz JNIBGMHIVJESHO-QPBFKRLHSA-N 1 0 278.352 2.605 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446713901 241314346 /nfs/dbraw/zinc/31/43/46/241314346.db2.gz BUCCYFVBGLKFEW-ZDUSSCGKSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCCO ZINC000449211817 241767993 /nfs/dbraw/zinc/76/79/93/241767993.db2.gz YGIGUERQVLFWOM-ZDUSSCGKSA-N 1 0 294.395 2.914 20 5 CFBDRO CCc1ncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449612326 242067487 /nfs/dbraw/zinc/06/74/87/242067487.db2.gz LFJLJSQMTFTKSD-NSHDSACASA-N 1 0 289.335 2.866 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000449550311 242020827 /nfs/dbraw/zinc/02/08/27/242020827.db2.gz CONCDCDAVOYTAQ-FMKPAKJESA-N 1 0 290.363 2.578 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000449738696 242127308 /nfs/dbraw/zinc/12/73/08/242127308.db2.gz DTXBZCUVWYQZOW-MRXNPFEDSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449639534 242087252 /nfs/dbraw/zinc/08/72/52/242087252.db2.gz PHHGHEKRLRXNDW-UONOGXRCSA-N 1 0 266.341 2.542 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449764476 242147181 /nfs/dbraw/zinc/14/71/81/242147181.db2.gz BJPUCCXRJCXNGF-TZMCWYRMSA-N 1 0 292.379 2.921 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000449786181 242166379 /nfs/dbraw/zinc/16/63/79/242166379.db2.gz LWFOJBQYOIXXLL-MRXNPFEDSA-N 1 0 291.395 2.818 20 5 CFBDRO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449789444 242168575 /nfs/dbraw/zinc/16/85/75/242168575.db2.gz ZSROPLUIIWXXHB-OAHLLOKOSA-N 1 0 291.395 2.818 20 5 CFBDRO Cc1nccnc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000275895777 193157510 /nfs/dbraw/zinc/15/75/10/193157510.db2.gz RKMGVFKOKBDTCT-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452124458 243055230 /nfs/dbraw/zinc/05/52/30/243055230.db2.gz JAXMEKYUINVXCW-OLZOCXBDSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314248 243506866 /nfs/dbraw/zinc/50/68/66/243506866.db2.gz YBTRMXMUMWSGEE-XJFOESAGSA-N 1 0 292.383 2.911 20 5 CFBDRO COCC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330660103 203087217 /nfs/dbraw/zinc/08/72/17/203087217.db2.gz UGCWXEPZZDDMRH-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276260182 193261736 /nfs/dbraw/zinc/26/17/36/193261736.db2.gz AYTUHGYXAVCASG-CYBMUJFWSA-N 1 0 295.358 2.508 20 5 CFBDRO C[C@@H](CO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276278154 193269125 /nfs/dbraw/zinc/26/91/25/193269125.db2.gz DWZFQAHWWFZDQI-ZDUSSCGKSA-N 1 0 292.379 2.763 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000459744468 245298941 /nfs/dbraw/zinc/29/89/41/245298941.db2.gz RMBGLANEECUDTC-OLZOCXBDSA-N 1 0 284.743 2.905 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331702048 204088926 /nfs/dbraw/zinc/08/89/26/204088926.db2.gz ZZVGTIHBBCNLHC-LBPRGKRZSA-N 1 0 280.372 2.586 20 5 CFBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956036 245376134 /nfs/dbraw/zinc/37/61/34/245376134.db2.gz GNQYMFAUVXTJPU-HZMBPMFUSA-N 1 0 293.342 2.937 20 5 CFBDRO C[C@H](NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020087914 372226252 /nfs/dbraw/zinc/22/62/52/372226252.db2.gz REENILFADMUNTC-LBPRGKRZSA-N 1 0 279.384 2.833 20 5 CFBDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020087625 372227295 /nfs/dbraw/zinc/22/72/95/372227295.db2.gz SYBKKYKINPYPQK-WDEREUQCSA-N 1 0 252.314 2.589 20 5 CFBDRO CC[NH+](CC)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020090574 372228219 /nfs/dbraw/zinc/22/82/19/372228219.db2.gz FQNKSUZBRSPNJE-CYBMUJFWSA-N 1 0 279.384 2.977 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020089800 372229130 /nfs/dbraw/zinc/22/91/30/372229130.db2.gz PRSVLBPISSHHFR-GFCCVEGCSA-N 1 0 265.357 2.587 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000035115419 372539479 /nfs/dbraw/zinc/53/94/79/372539479.db2.gz SCSQHOCCNCJHSL-LRDDRELGSA-N 1 0 286.331 2.979 20 5 CFBDRO Cc1ccc(CNCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000035015367 372529833 /nfs/dbraw/zinc/52/98/33/372529833.db2.gz QCLGRYRPZNCUIN-UHFFFAOYSA-N 1 0 291.395 2.869 20 5 CFBDRO CC[C@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036319315 372571661 /nfs/dbraw/zinc/57/16/61/372571661.db2.gz SLMZWMAIGOVMRY-AWEZNQCLSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[C@H]([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037010586 372627718 /nfs/dbraw/zinc/62/77/18/372627718.db2.gz SDWUXRMDYNBEJE-HNNXBMFYSA-N 1 0 288.351 2.922 20 5 CFBDRO Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000037059791 372642869 /nfs/dbraw/zinc/64/28/69/372642869.db2.gz FMQKLSMVMGWFMN-YHWZYXNKSA-N 1 0 275.352 2.940 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037157525 372659814 /nfs/dbraw/zinc/65/98/14/372659814.db2.gz BYEMCPQUBZUOQT-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000037647730 372682345 /nfs/dbraw/zinc/68/23/45/372682345.db2.gz MIZRVSXWVCVUAH-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000037668236 372689293 /nfs/dbraw/zinc/68/92/93/372689293.db2.gz KHGURJZOHYVIEN-UHFFFAOYSA-N 1 0 258.277 2.590 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037718001 372691836 /nfs/dbraw/zinc/69/18/36/372691836.db2.gz QDKKNIKGVRIXKZ-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000038011246 372763568 /nfs/dbraw/zinc/76/35/68/372763568.db2.gz AMMVAAAQUWHFLO-SNVBAGLBSA-N 1 0 274.324 2.786 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775004 372787395 /nfs/dbraw/zinc/78/73/95/372787395.db2.gz FVMUVMXUHDTTNC-OCCSQVGLSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000042814769 372958848 /nfs/dbraw/zinc/95/88/48/372958848.db2.gz CQDUGRZTTBPIBI-VXGBXAGGSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000361022269 284372749 /nfs/dbraw/zinc/37/27/49/284372749.db2.gz KHPOHAVSLCEFTA-JWJUJFCLSA-N 1 0 278.352 2.965 20 5 CFBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000047452714 373093287 /nfs/dbraw/zinc/09/32/87/373093287.db2.gz RCKOYNBHJDEXAS-UHFFFAOYSA-N 1 0 289.291 2.502 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015612 373339896 /nfs/dbraw/zinc/33/98/96/373339896.db2.gz ZUDJQSDIYHIZBM-GXTWGEPZSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1c(CN2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051124193 373389676 /nfs/dbraw/zinc/38/96/76/373389676.db2.gz OYEBMWWFLDZUNP-UHFFFAOYSA-N 1 0 291.395 2.677 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCSC1)C2 ZINC000571392933 383690111 /nfs/dbraw/zinc/69/01/11/383690111.db2.gz JCGNKOMHRZIRBW-LLVKDONJSA-N 1 0 278.377 2.706 20 5 CFBDRO Cc1cc(NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000054128493 373500470 /nfs/dbraw/zinc/50/04/70/373500470.db2.gz JWQBQFWNDZETPA-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C)(C)C ZINC000571401028 383691071 /nfs/dbraw/zinc/69/10/71/383691071.db2.gz MKWHLIBJGDMULA-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000451724210 383691997 /nfs/dbraw/zinc/69/19/97/383691997.db2.gz DVPJFWHRTAMUOY-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000061189238 373713276 /nfs/dbraw/zinc/71/32/76/373713276.db2.gz XYXPFLHRJWDUHE-UHFFFAOYSA-N 1 0 296.367 2.708 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000451729493 383693787 /nfs/dbraw/zinc/69/37/87/383693787.db2.gz KOBWEYXDQYSMKB-HNNXBMFYSA-N 1 0 291.395 2.553 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000062999798 373778589 /nfs/dbraw/zinc/77/85/89/373778589.db2.gz HZAIHDPPNZLUKH-WBMJQRKESA-N 1 0 286.331 2.979 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000067948944 374018424 /nfs/dbraw/zinc/01/84/24/374018424.db2.gz SPYQHEAZZMKVEF-NSHDSACASA-N 1 0 267.304 2.630 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070074605 374122148 /nfs/dbraw/zinc/12/21/48/374122148.db2.gz NARFVKYRRRYZLK-GHMZBOCLSA-N 1 0 297.786 2.807 20 5 CFBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000072590758 374268054 /nfs/dbraw/zinc/26/80/54/374268054.db2.gz KGMYZQVBYRBOKI-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)nc1 ZINC000072665105 374273891 /nfs/dbraw/zinc/27/38/91/374273891.db2.gz PLKZYKBZVZVKSA-STQMWFEESA-N 1 0 288.351 2.585 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000072744201 374282878 /nfs/dbraw/zinc/28/28/78/374282878.db2.gz MDUNDQGAGMRGCC-OAHLLOKOSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000491829921 246092361 /nfs/dbraw/zinc/09/23/61/246092361.db2.gz BESCKPOVMBYRCO-IINYFYTJSA-N 1 0 297.786 2.630 20 5 CFBDRO COc1ccc(C[N@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000075842586 374508592 /nfs/dbraw/zinc/50/85/92/374508592.db2.gz AZDXFGWKTLMHCU-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081545190 374703754 /nfs/dbraw/zinc/70/37/54/374703754.db2.gz BROOXHMDMGDXDK-NSHDSACASA-N 1 0 280.324 2.589 20 5 CFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000087409352 374820216 /nfs/dbraw/zinc/82/02/16/374820216.db2.gz WHCUCALFOCOZIJ-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359810 375010355 /nfs/dbraw/zinc/01/03/55/375010355.db2.gz BGUMEVQBGMEAMI-BXKDBHETSA-N 1 0 279.296 2.781 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000090794965 375030032 /nfs/dbraw/zinc/03/00/32/375030032.db2.gz SGXFZHIHIFXEAL-YPMHNXCESA-N 1 0 263.341 2.798 20 5 CFBDRO CCOc1cc(NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649555 375135829 /nfs/dbraw/zinc/13/58/29/375135829.db2.gz IRSQNKBYHNVSFC-LLVKDONJSA-N 1 0 293.367 2.888 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000093232546 375198187 /nfs/dbraw/zinc/19/81/87/375198187.db2.gz IMZMRMJAPNNUHV-QWHCGFSZSA-N 1 0 275.352 2.942 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093838874 375318796 /nfs/dbraw/zinc/31/87/96/375318796.db2.gz DYNSOIHVFNXHBX-CQSZACIVSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093516241 375262043 /nfs/dbraw/zinc/26/20/43/375262043.db2.gz WNPUEFTYCPTOJS-HIFRSBDPSA-N 1 0 291.395 2.995 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094948928 375395125 /nfs/dbraw/zinc/39/51/25/375395125.db2.gz ILONJVGXHMPMCE-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCC[C@@H]1O ZINC000495166206 246858096 /nfs/dbraw/zinc/85/80/96/246858096.db2.gz HRTMRFGIXACTLF-FRGQNTEPSA-N 1 0 276.336 2.501 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659367 375372444 /nfs/dbraw/zinc/37/24/44/375372444.db2.gz WMPMZQIVKNWVFF-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000097635709 375575493 /nfs/dbraw/zinc/57/54/93/375575493.db2.gz PQZPKYFDXNRNHM-VXGBXAGGSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000501784514 247106632 /nfs/dbraw/zinc/10/66/32/247106632.db2.gz HFDABCXPKIVMOF-OLZOCXBDSA-N 1 0 278.352 2.952 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000111404162 375845345 /nfs/dbraw/zinc/84/53/45/375845345.db2.gz IIIJSSVMKOCVKC-HNNXBMFYSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000111637295 375860089 /nfs/dbraw/zinc/86/00/89/375860089.db2.gz NJPBCQXCVRFAIY-VIFPVBQESA-N 1 0 292.257 2.824 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198685 376051989 /nfs/dbraw/zinc/05/19/89/376051989.db2.gz AUPSKTLZDGCMKQ-CHWSQXEVSA-N 1 0 277.368 2.539 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112988420 375983326 /nfs/dbraw/zinc/98/33/26/375983326.db2.gz OTFSREMLILVPDI-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000119866363 376492413 /nfs/dbraw/zinc/49/24/13/376492413.db2.gz TYZGXGBEKBVHBE-GFCCVEGCSA-N 1 0 252.339 2.532 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123606436 376962342 /nfs/dbraw/zinc/96/23/42/376962342.db2.gz ZNXXPJCGUUGXDV-NWDGAFQWSA-N 1 0 295.358 2.648 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129652785 377456075 /nfs/dbraw/zinc/45/60/75/377456075.db2.gz FMZGJFMWDRISAE-SWHYSGLUSA-N 1 0 278.352 2.713 20 5 CFBDRO COC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000129998523 377498883 /nfs/dbraw/zinc/49/88/83/377498883.db2.gz VZKDIXRCMSORRY-UHFFFAOYSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[NH+](CC)CCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000130091088 377510336 /nfs/dbraw/zinc/51/03/36/377510336.db2.gz HWFABELQVWRYJD-UHFFFAOYSA-N 1 0 280.372 2.832 20 5 CFBDRO CCC[C@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000130785929 377610357 /nfs/dbraw/zinc/61/03/57/377610357.db2.gz VXGXCMZSXBGTTR-AWEZNQCLSA-N 1 0 278.352 2.941 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1NCc1cn2ccccc2n1 ZINC000132467114 377844732 /nfs/dbraw/zinc/84/47/32/377844732.db2.gz DKUGLZKKTYQVHC-UHFFFAOYSA-N 1 0 286.266 2.994 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000134482746 378020792 /nfs/dbraw/zinc/02/07/92/378020792.db2.gz ZNJJHTSVICROSV-LBPRGKRZSA-N 1 0 278.352 2.808 20 5 CFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000135431446 378131464 /nfs/dbraw/zinc/13/14/64/378131464.db2.gz HDGYGUAZJHGYIA-ZDUSSCGKSA-N 1 0 266.366 2.922 20 5 CFBDRO CSC[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000135480596 378137375 /nfs/dbraw/zinc/13/73/75/378137375.db2.gz PSCHNWPTEKMTKS-CYBMUJFWSA-N 1 0 296.392 2.801 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000135282778 378110060 /nfs/dbraw/zinc/11/00/60/378110060.db2.gz BORMVMGMEXSSMR-GRYCIOLGSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[N@H+](CCNCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000152142000 378398002 /nfs/dbraw/zinc/39/80/02/378398002.db2.gz ZVEIBSVOLUDZSA-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+](C)C ZINC000151931310 378374126 /nfs/dbraw/zinc/37/41/26/378374126.db2.gz BJXAMMRHZVWLNJ-GFCCVEGCSA-N 1 0 265.357 2.506 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@@H]1C ZINC000278373433 193949285 /nfs/dbraw/zinc/94/92/85/193949285.db2.gz BZMSKBCJLRAHLJ-GZBFAFLISA-N 1 0 292.379 2.931 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000153770139 378510065 /nfs/dbraw/zinc/51/00/65/378510065.db2.gz KVTMRGZBUPGPQC-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000331003869 378613223 /nfs/dbraw/zinc/61/32/23/378613223.db2.gz RTJMAOUJLPKSRR-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281861 378663689 /nfs/dbraw/zinc/66/36/89/378663689.db2.gz ITLKHUCSXZOSKX-ZETOZRRWSA-N 1 0 296.342 2.715 20 5 CFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331299093 378664692 /nfs/dbraw/zinc/66/46/92/378664692.db2.gz VFXHWLHZKMJBBF-IOASZLSFSA-N 1 0 292.379 2.619 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000160085093 378747661 /nfs/dbraw/zinc/74/76/61/378747661.db2.gz LMBRNEKYIMQWRN-UHFFFAOYSA-N 1 0 278.352 2.546 20 5 CFBDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332333559 378749161 /nfs/dbraw/zinc/74/91/61/378749161.db2.gz VJTFMKDNIPHCPZ-XFBWCDHKSA-N 1 0 289.379 2.560 20 5 CFBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268543080 535451747 /nfs/dbraw/zinc/45/17/47/535451747.db2.gz ZSCFFKXAPQBQKO-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000161510247 378853269 /nfs/dbraw/zinc/85/32/69/378853269.db2.gz FZYFBLLXIGXZTG-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1nc(F)ccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000278537645 194030925 /nfs/dbraw/zinc/03/09/25/194030925.db2.gz SRQXSQZQZDGLOY-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000163594357 378981564 /nfs/dbraw/zinc/98/15/64/378981564.db2.gz UBMBDTFDXYDTGJ-LLVKDONJSA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278605017 194065944 /nfs/dbraw/zinc/06/59/44/194065944.db2.gz GAPDMCIGPLZHTR-ZJUUUORDSA-N 1 0 276.340 2.995 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350613 379070129 /nfs/dbraw/zinc/07/01/29/379070129.db2.gz FXZMNOXIMJNIFJ-PWSUYJOCSA-N 1 0 298.770 2.984 20 5 CFBDRO CCSCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000167275293 379070720 /nfs/dbraw/zinc/07/07/20/379070720.db2.gz HBZGLJOKRSHOEL-UHFFFAOYSA-N 1 0 254.355 2.828 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000168138142 379081980 /nfs/dbraw/zinc/08/19/80/379081980.db2.gz IJHUCTAGZVZPNJ-LBPRGKRZSA-N 1 0 270.716 2.517 20 5 CFBDRO C[C@@H](CC[NH+](C)C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888141 194197668 /nfs/dbraw/zinc/19/76/68/194197668.db2.gz YKDGFCAOSWSNDR-LRDDRELGSA-N 1 0 291.395 2.902 20 5 CFBDRO CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000171682419 379370542 /nfs/dbraw/zinc/37/05/42/379370542.db2.gz JZZBDWHEBXNMTN-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000451911135 383736970 /nfs/dbraw/zinc/73/69/70/383736970.db2.gz ZJICGOYTVPELIE-MRXNPFEDSA-N 1 0 290.363 2.906 20 5 CFBDRO Cc1ccc(C[NH2+]CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000174432037 379884184 /nfs/dbraw/zinc/88/41/84/379884184.db2.gz SZEACWQJGZRYOM-UHFFFAOYSA-N 1 0 294.351 2.725 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174864234 379954021 /nfs/dbraw/zinc/95/40/21/379954021.db2.gz QMGREWUMNFHEDJ-ZDUSSCGKSA-N 1 0 280.372 2.549 20 5 CFBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174878508 379955166 /nfs/dbraw/zinc/95/51/66/379955166.db2.gz JRXKHZVGCSLYDF-JSGCOSHPSA-N 1 0 280.372 2.692 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccs2)C2CC2)n1 ZINC000176204181 380193308 /nfs/dbraw/zinc/19/33/08/380193308.db2.gz ANJHSWXRAMIOEO-UHFFFAOYSA-N 1 0 292.364 2.517 20 5 CFBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176199679 380194325 /nfs/dbraw/zinc/19/43/25/380194325.db2.gz FYEMYVKIRUBFCH-NSHDSACASA-N 1 0 292.314 2.623 20 5 CFBDRO CC(C)(C)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176247497 380200941 /nfs/dbraw/zinc/20/09/41/380200941.db2.gz LHUATRUMTWEIPQ-ZDUSSCGKSA-N 1 0 294.399 2.940 20 5 CFBDRO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC(C)(C)C1 ZINC000452107846 383746751 /nfs/dbraw/zinc/74/67/51/383746751.db2.gz UGEHXABASWPYSZ-UHFFFAOYSA-N 1 0 280.372 2.727 20 5 CFBDRO CO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000572015053 383747205 /nfs/dbraw/zinc/74/72/05/383747205.db2.gz JKCMUTQHXLEYKM-DZGCQCFKSA-N 1 0 276.336 2.597 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336810066 380670032 /nfs/dbraw/zinc/67/00/32/380670032.db2.gz HAKCRKYQBVTCCO-JTQLQIEISA-N 1 0 267.304 2.630 20 5 CFBDRO COC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000181083668 380735382 /nfs/dbraw/zinc/73/53/82/380735382.db2.gz MPXXBMHMESHKPL-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO COc1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402038343 380880586 /nfs/dbraw/zinc/88/05/86/380880586.db2.gz KSDYXVPZNAOMMY-LBPRGKRZSA-N 1 0 294.351 2.510 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000353769930 380840107 /nfs/dbraw/zinc/84/01/07/380840107.db2.gz SRQRTQXOCBYQNK-UKRRQHHQSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182303919 381055760 /nfs/dbraw/zinc/05/57/60/381055760.db2.gz TYUSHURPLZQUHD-OCCSQVGLSA-N 1 0 264.325 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000411871167 381040757 /nfs/dbraw/zinc/04/07/57/381040757.db2.gz HFDUMFOAYWQMOK-INIZCTEOSA-N 1 0 290.363 2.638 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000295811248 381090802 /nfs/dbraw/zinc/09/08/02/381090802.db2.gz AAHRTWCDMYUEIK-RISCZKNCSA-N 1 0 286.335 2.629 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000412019021 381092717 /nfs/dbraw/zinc/09/27/17/381092717.db2.gz DDIDVTOWPXZAKD-LLVKDONJSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000412024584 381098205 /nfs/dbraw/zinc/09/82/05/381098205.db2.gz ZPYHLROXQNNFCK-LLVKDONJSA-N 1 0 294.351 2.651 20 5 CFBDRO COC[C@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347365059 381100323 /nfs/dbraw/zinc/10/03/23/381100323.db2.gz SMLLKLNJHIEKPF-RPHSKFLZSA-N 1 0 278.352 2.965 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CC)OC ZINC000289693078 381106795 /nfs/dbraw/zinc/10/67/95/381106795.db2.gz DEKIPORRWZEXMV-ZDUSSCGKSA-N 1 0 282.340 2.508 20 5 CFBDRO CCC[N@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347376176 381107886 /nfs/dbraw/zinc/10/78/86/381107886.db2.gz ZRTKMEKYICWHBV-RAXLEYEMSA-N 1 0 278.352 2.702 20 5 CFBDRO Cc1cc[nH+]c(NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000358843763 381118345 /nfs/dbraw/zinc/11/83/45/381118345.db2.gz YRHWZLPIURQDBD-UHFFFAOYSA-N 1 0 272.308 2.822 20 5 CFBDRO Cc1ccc(C[N@@H+](CC2CCC2)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000289637329 381079247 /nfs/dbraw/zinc/07/92/47/381079247.db2.gz XIEJYTJSOMLLFH-ZDUSSCGKSA-N 1 0 292.379 2.886 20 5 CFBDRO CCCC[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289797620 381164091 /nfs/dbraw/zinc/16/40/91/381164091.db2.gz IBKVILWMHSQJTE-NSHDSACASA-N 1 0 293.367 2.704 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000368756401 381124681 /nfs/dbraw/zinc/12/46/81/381124681.db2.gz QOEBBDCGZCFXPT-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000341723812 381191146 /nfs/dbraw/zinc/19/11/46/381191146.db2.gz WAOWPZQBKAKAFQ-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cnccn1)CCC2 ZINC000358990537 381198306 /nfs/dbraw/zinc/19/83/06/381198306.db2.gz PLMKCMBQUYRSBH-MRXNPFEDSA-N 1 0 298.346 2.595 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000183040703 381201361 /nfs/dbraw/zinc/20/13/61/381201361.db2.gz OJPZAOPTGWOCDQ-NWDGAFQWSA-N 1 0 293.367 2.948 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183049640 381203578 /nfs/dbraw/zinc/20/35/78/381203578.db2.gz JVPOCQHNOHMAKP-ZYHUDNBSSA-N 1 0 293.367 2.866 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000183311709 381251916 /nfs/dbraw/zinc/25/19/16/381251916.db2.gz DBUNAEXWHKCNQN-MRXNPFEDSA-N 1 0 289.379 2.573 20 5 CFBDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354423492 381256735 /nfs/dbraw/zinc/25/67/35/381256735.db2.gz SQUFAYBXNCCYED-KBPBESRZSA-N 1 0 294.399 2.986 20 5 CFBDRO COc1cncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000290004625 381257058 /nfs/dbraw/zinc/25/70/58/381257058.db2.gz RWVFUULXUCTBCO-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000359086525 381257596 /nfs/dbraw/zinc/25/75/96/381257596.db2.gz VGDABDNJURSKFP-ZDUSSCGKSA-N 1 0 292.383 2.893 20 5 CFBDRO CCC[C@H]([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000290011426 381259094 /nfs/dbraw/zinc/25/90/94/381259094.db2.gz ZUDBMNKIYLKJPX-HNNXBMFYSA-N 1 0 288.351 2.991 20 5 CFBDRO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000354438308 381265786 /nfs/dbraw/zinc/26/57/86/381265786.db2.gz DVSCLDHTCIDFCZ-GFCCVEGCSA-N 1 0 280.368 2.921 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354354978 381221766 /nfs/dbraw/zinc/22/17/66/381221766.db2.gz SHIBQLXPVDFYIN-CHWSQXEVSA-N 1 0 277.368 2.904 20 5 CFBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578654 381233885 /nfs/dbraw/zinc/23/38/85/381233885.db2.gz PLIJUDOINIVFGO-OLZOCXBDSA-N 1 0 294.399 2.938 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183271858 381246633 /nfs/dbraw/zinc/24/66/33/381246633.db2.gz SLOKOJIQEXQRKI-HZSPNIEDSA-N 1 0 294.399 2.842 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCOC(C)(C)C1 ZINC000183285995 381250884 /nfs/dbraw/zinc/25/08/84/381250884.db2.gz WEYCZAZDLZMPQP-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000369589499 381293279 /nfs/dbraw/zinc/29/32/79/381293279.db2.gz YWAOQGIFIYIOCX-UHFFFAOYSA-N 1 0 299.330 2.562 20 5 CFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000354477031 381294715 /nfs/dbraw/zinc/29/47/15/381294715.db2.gz MRKLRSWHPJEPLP-HUUCEWRRSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000290108477 381302003 /nfs/dbraw/zinc/30/20/03/381302003.db2.gz ILRXYOHRWWAENR-WCQYABFASA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000290158889 381324115 /nfs/dbraw/zinc/32/41/15/381324115.db2.gz LUPPNWXJWNAYGM-TZMCWYRMSA-N 1 0 280.368 2.931 20 5 CFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000354538154 381328999 /nfs/dbraw/zinc/32/89/99/381328999.db2.gz GAJQBIKCQYVXFO-UKRRQHHQSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[NH+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000347711306 381309900 /nfs/dbraw/zinc/30/99/00/381309900.db2.gz WBAAMXUPBJBSTC-CHWSQXEVSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](CO)C1 ZINC000370071541 381378778 /nfs/dbraw/zinc/37/87/78/381378778.db2.gz TXHYFHOXIUZQRX-STQMWFEESA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](CO)CC1 ZINC000354700851 381408868 /nfs/dbraw/zinc/40/88/68/381408868.db2.gz XGPGSXXYESBMHW-BTKRWWFXSA-N 1 0 290.363 2.702 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290392244 381409716 /nfs/dbraw/zinc/40/97/16/381409716.db2.gz IXHKQDPXHSHAEM-CZUORRHYSA-N 1 0 291.395 2.675 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184253740 381393304 /nfs/dbraw/zinc/39/33/04/381393304.db2.gz RGXIDJOZOBUFDA-VIFPVBQESA-N 1 0 270.304 2.973 20 5 CFBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCO1 ZINC000342606898 381429903 /nfs/dbraw/zinc/42/99/03/381429903.db2.gz QMMBGSOVYIRONZ-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO COc1cc(C[N@H+](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342610438 381433335 /nfs/dbraw/zinc/43/33/35/381433335.db2.gz WTHGHSHKUIGCAJ-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000370656669 381485065 /nfs/dbraw/zinc/48/50/65/381485065.db2.gz MTAYAFVLXVFWDG-ODOQXGPZSA-N 1 0 294.326 2.612 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000342681761 381476549 /nfs/dbraw/zinc/47/65/49/381476549.db2.gz QXTAENRAUOSPEV-AWEZNQCLSA-N 1 0 277.368 2.509 20 5 CFBDRO C[NH+](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000348321354 381506971 /nfs/dbraw/zinc/50/69/71/381506971.db2.gz MRKPJQNAMDVAGX-KRWDZBQOSA-N 1 0 299.374 2.835 20 5 CFBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000359616256 381509848 /nfs/dbraw/zinc/50/98/48/381509848.db2.gz BFINFCKTWFCVRA-SECBINFHSA-N 1 0 294.277 2.502 20 5 CFBDRO CCC1CC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000342702143 381487099 /nfs/dbraw/zinc/48/70/99/381487099.db2.gz TZZAICKFZBPXQC-UHFFFAOYSA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC[C@@H]3C3CC3)nc2c1 ZINC000348382620 381543065 /nfs/dbraw/zinc/54/30/65/381543065.db2.gz KZBOJDOLUITRKB-VXGBXAGGSA-N 1 0 286.335 2.749 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000296725305 381521625 /nfs/dbraw/zinc/52/16/25/381521625.db2.gz NMNUMZJLSZXUIN-BIAAXOCRSA-N 1 0 264.325 2.811 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000348356233 381528034 /nfs/dbraw/zinc/52/80/34/381528034.db2.gz XJLSEDOSZXLYAS-AAEUAGOBSA-N 1 0 292.383 2.607 20 5 CFBDRO COc1cccc(N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290713118 381528710 /nfs/dbraw/zinc/52/87/10/381528710.db2.gz ONQVAGVSDGRHOI-LLVKDONJSA-N 1 0 281.356 2.744 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000342828581 381573289 /nfs/dbraw/zinc/57/32/89/381573289.db2.gz RNJKRORKYUCKCX-LBPRGKRZSA-N 1 0 278.352 2.859 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000414927518 381616052 /nfs/dbraw/zinc/61/60/52/381616052.db2.gz MDOLHGKWHWHLPA-HNNXBMFYSA-N 1 0 291.395 2.771 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348542115 381620160 /nfs/dbraw/zinc/62/01/60/381620160.db2.gz ATMCFGHRSHUKHH-GXIIQHASSA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(CNC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414943098 381633332 /nfs/dbraw/zinc/63/33/32/381633332.db2.gz CNIOCAWPNDMDAX-QGZVFWFLSA-N 1 0 297.358 2.571 20 5 CFBDRO CC[C@@H]([NH3+])CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414974709 381669320 /nfs/dbraw/zinc/66/93/20/381669320.db2.gz FBQIEWOQWUCENI-GFCCVEGCSA-N 1 0 265.357 2.545 20 5 CFBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343442692 381711855 /nfs/dbraw/zinc/71/18/55/381711855.db2.gz MILMKJBLWLOLLP-LDYMZIIASA-N 1 0 284.747 2.538 20 5 CFBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343442689 381712747 /nfs/dbraw/zinc/71/27/47/381712747.db2.gz MILMKJBLWLOLLP-GZMMTYOYSA-N 1 0 284.747 2.538 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000355232464 381692755 /nfs/dbraw/zinc/69/27/55/381692755.db2.gz CUEFURHLYWYSAU-LSDHHAIUSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291172681 381694767 /nfs/dbraw/zinc/69/47/67/381694767.db2.gz DTFIOCZYHPYZBC-CQSZACIVSA-N 1 0 264.325 2.594 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CO)CCCC1 ZINC000185802298 381738430 /nfs/dbraw/zinc/73/84/30/381738430.db2.gz NRVZLPVKXIUKIS-UHFFFAOYSA-N 1 0 278.352 2.546 20 5 CFBDRO COC[C@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000372093294 381750083 /nfs/dbraw/zinc/75/00/83/381750083.db2.gz CXJXUJXUOMXYNP-NSHDSACASA-N 1 0 284.381 2.905 20 5 CFBDRO CCc1ccccc1[C@H]([NH3+])CNCc1cccc([N+](=O)[O-])c1 ZINC000415065258 381751057 /nfs/dbraw/zinc/75/10/57/381751057.db2.gz MNJYYFWZIWKOFW-QGZVFWFLSA-N 1 0 299.374 2.947 20 5 CFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000291346312 381755165 /nfs/dbraw/zinc/75/51/65/381755165.db2.gz XGWWYEFMMBPUNQ-AWEZNQCLSA-N 1 0 280.368 2.996 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000299007361 381797092 /nfs/dbraw/zinc/79/70/92/381797092.db2.gz CFTHUIPTCDCZFK-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770049 381828985 /nfs/dbraw/zinc/82/89/85/381828985.db2.gz WRMSFCLGYNCICV-YPMHNXCESA-N 1 0 295.358 2.819 20 5 CFBDRO COC1(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000361509226 381837654 /nfs/dbraw/zinc/83/76/54/381837654.db2.gz AZUBXUWPERMCSY-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936207 381815448 /nfs/dbraw/zinc/81/54/48/381815448.db2.gz WIZWCFDERPNIIP-MNOVXSKESA-N 1 0 280.372 2.727 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292907175 381897652 /nfs/dbraw/zinc/89/76/52/381897652.db2.gz HABGSRMGRPQIPL-INIZCTEOSA-N 1 0 289.379 2.513 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000293030653 381958826 /nfs/dbraw/zinc/95/88/26/381958826.db2.gz ABBGCCNDYQBCEE-IINYFYTJSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293050785 381969277 /nfs/dbraw/zinc/96/92/77/381969277.db2.gz HUGJJYWSISEUAR-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000349467128 381940419 /nfs/dbraw/zinc/94/04/19/381940419.db2.gz WWYOATVZEIGVJA-AWEZNQCLSA-N 1 0 288.351 2.612 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000343849154 381980848 /nfs/dbraw/zinc/98/08/48/381980848.db2.gz HEJUCHXYBJBJLL-VHSXEESVSA-N 1 0 297.330 2.637 20 5 CFBDRO COC1(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000293103212 381991235 /nfs/dbraw/zinc/99/12/35/381991235.db2.gz XXOAVULPXJFHRI-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO Cc1cc(OCC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000186729804 381995128 /nfs/dbraw/zinc/99/51/28/381995128.db2.gz ZETBKQSSLSNUDR-UHFFFAOYSA-N 1 0 282.315 2.907 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CC2 ZINC000417345019 382047941 /nfs/dbraw/zinc/04/79/41/382047941.db2.gz XDGFOYHLORPPAU-WCQYABFASA-N 1 0 260.337 2.916 20 5 CFBDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343982830 382048206 /nfs/dbraw/zinc/04/82/06/382048206.db2.gz RWHKXETVSRKULD-RYUDHWBXSA-N 1 0 286.335 2.667 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000300405274 382060272 /nfs/dbraw/zinc/06/02/72/382060272.db2.gz HDKIWWNCRCFJCL-HUBLWGQQSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000293207028 382029717 /nfs/dbraw/zinc/02/97/17/382029717.db2.gz XIJGITMUUUFJCB-INIZCTEOSA-N 1 0 292.379 2.825 20 5 CFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000293207034 382031047 /nfs/dbraw/zinc/03/10/47/382031047.db2.gz XIJGITMUUUFJCB-MRXNPFEDSA-N 1 0 292.379 2.825 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344086844 382120630 /nfs/dbraw/zinc/12/06/30/382120630.db2.gz HDSLRMRYZWNCMG-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000301074207 382074243 /nfs/dbraw/zinc/07/42/43/382074243.db2.gz IETJDCFWVQIXTQ-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000301074141 382074598 /nfs/dbraw/zinc/07/45/98/382074598.db2.gz GICCBMWRDQYQFX-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000293316442 382075985 /nfs/dbraw/zinc/07/59/85/382075985.db2.gz QQPZESJZHUNKRZ-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000376243472 382127641 /nfs/dbraw/zinc/12/76/41/382127641.db2.gz PBYAZPSGARLPKX-NEPJUHHUSA-N 1 0 293.342 2.797 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351976847 382101619 /nfs/dbraw/zinc/10/16/19/382101619.db2.gz CUCNVHYLRKTEHO-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301292718 382140701 /nfs/dbraw/zinc/14/07/01/382140701.db2.gz VQWYIQWABVNLNY-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO COC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000352228109 382236291 /nfs/dbraw/zinc/23/62/91/382236291.db2.gz VNGBHIHPSILJPO-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO CSC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000187843401 382280684 /nfs/dbraw/zinc/28/06/84/382280684.db2.gz TWLHGQZYJAWJNB-CQSZACIVSA-N 1 0 298.408 2.529 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H]1CCOC1 ZINC000344269765 382242039 /nfs/dbraw/zinc/24/20/39/382242039.db2.gz MPHKVQBCAWREHS-MASHWEEQSA-N 1 0 276.336 2.624 20 5 CFBDRO Cc1cccc(NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000302504940 382258837 /nfs/dbraw/zinc/25/88/37/382258837.db2.gz QFMSHUKZPIDXNX-UHFFFAOYSA-N 1 0 275.352 2.967 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000364328647 382307592 /nfs/dbraw/zinc/30/75/92/382307592.db2.gz OJGOLGIXCMXMAY-ZIAGYGMSSA-N 1 0 290.367 2.785 20 5 CFBDRO CC/C=C/CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364344389 382311296 /nfs/dbraw/zinc/31/12/96/382311296.db2.gz YIAOLIDLCZGJET-OOPCZODUSA-N 1 0 278.356 2.785 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420285933 382340183 /nfs/dbraw/zinc/34/01/83/382340183.db2.gz PUHDQRUIGBUCBF-NEPJUHHUSA-N 1 0 278.356 2.536 20 5 CFBDRO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293827731 382294601 /nfs/dbraw/zinc/29/46/01/382294601.db2.gz WKITVXAOBZWJNU-VCTAVGKDSA-N 1 0 276.336 2.739 20 5 CFBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364274699 382295658 /nfs/dbraw/zinc/29/56/58/382295658.db2.gz UUQAUNAERBGHLF-AWEZNQCLSA-N 1 0 278.352 2.843 20 5 CFBDRO COc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352540045 382385765 /nfs/dbraw/zinc/38/57/65/382385765.db2.gz GNFOBABFEARKSD-QWRGUYRKSA-N 1 0 264.325 2.691 20 5 CFBDRO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000188325254 382393385 /nfs/dbraw/zinc/39/33/85/382393385.db2.gz KEAXTPLSDLYFGI-XHDPSFHLSA-N 1 0 278.352 2.760 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000305148355 382427843 /nfs/dbraw/zinc/42/78/43/382427843.db2.gz SNUYSFHZNHRQGA-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@H](F)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570311 382399948 /nfs/dbraw/zinc/39/99/48/382399948.db2.gz FUUFORCQUJKTAE-LBPRGKRZSA-N 1 0 254.305 2.817 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000358000480 382404003 /nfs/dbraw/zinc/40/40/03/382404003.db2.gz BNDUAUIMVSLTOC-CQSZACIVSA-N 1 0 278.352 2.890 20 5 CFBDRO CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000358006371 382405960 /nfs/dbraw/zinc/40/59/60/382405960.db2.gz SLAMVXXXIQUMFY-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO CC(C)=CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188452668 382417509 /nfs/dbraw/zinc/41/75/09/382417509.db2.gz VOEAWQUPRLUUKM-GFCCVEGCSA-N 1 0 291.351 2.868 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000352795776 382473604 /nfs/dbraw/zinc/47/36/04/382473604.db2.gz FJFOBWWJNIZISB-KCJUWKMLSA-N 1 0 270.329 2.575 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310785645 382496826 /nfs/dbraw/zinc/49/68/26/382496826.db2.gz AEBUGERSXYYPMP-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000188871789 382496924 /nfs/dbraw/zinc/49/69/24/382496924.db2.gz AKOCBEOIYIYGMI-CYBMUJFWSA-N 1 0 296.367 2.754 20 5 CFBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000381629014 382523340 /nfs/dbraw/zinc/52/33/40/382523340.db2.gz UXRUDJSQTWMOGP-AWEZNQCLSA-N 1 0 282.315 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378895691 382504361 /nfs/dbraw/zinc/50/43/61/382504361.db2.gz URFKOGIKSFZZAE-SNPRPXQTSA-N 1 0 260.337 2.916 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294314260 382506978 /nfs/dbraw/zinc/50/69/78/382506978.db2.gz OAEPKCPFYPIYAI-SNVBAGLBSA-N 1 0 281.356 2.500 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212133 382507792 /nfs/dbraw/zinc/50/77/92/382507792.db2.gz RRRDOASHQJVTBP-CABCVRRESA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212136 382508115 /nfs/dbraw/zinc/50/81/15/382508115.db2.gz RRRDOASHQJVTBP-HUUCEWRRSA-N 1 0 296.342 2.859 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC1(O)CCC1 ZINC000421396252 382516649 /nfs/dbraw/zinc/51/66/49/382516649.db2.gz ZBRZBWTZTZFSOI-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO CC1(CO)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000358272878 382540541 /nfs/dbraw/zinc/54/05/41/382540541.db2.gz AMIQXIKVDLVLOU-XQRVVYSFSA-N 1 0 290.363 2.702 20 5 CFBDRO CCC[C@@H]1C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346850314 382543853 /nfs/dbraw/zinc/54/38/53/382543853.db2.gz PXOFSQZFUTZOLE-SBJJXXPASA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294949504 382545678 /nfs/dbraw/zinc/54/56/78/382545678.db2.gz CWOLZAONAIUYCR-WMADIVHISA-N 1 0 278.352 2.747 20 5 CFBDRO CS[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294966841 382556696 /nfs/dbraw/zinc/55/66/96/382556696.db2.gz FJQUMGKDELEGOS-GFCCVEGCSA-N 1 0 266.366 2.841 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000295050982 382567562 /nfs/dbraw/zinc/56/75/62/382567562.db2.gz QHMOXXZUPNXPTJ-ABAIWWIYSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294860215 382534287 /nfs/dbraw/zinc/53/42/87/382534287.db2.gz DCYWHRJUJFGRIP-NSHDSACASA-N 1 0 293.342 2.654 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000346832918 382535102 /nfs/dbraw/zinc/53/51/02/382535102.db2.gz RDLWPTSKLKOAJH-UHFFFAOYSA-N 1 0 275.308 2.532 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000358356722 382585573 /nfs/dbraw/zinc/58/55/73/382585573.db2.gz PLXDEGIXHXBDRH-ZFWWWQNUSA-N 1 0 278.352 2.542 20 5 CFBDRO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1C ZINC000189350674 382596757 /nfs/dbraw/zinc/59/67/57/382596757.db2.gz VUMGHFMAASKFAK-IAQYHMDHSA-N 1 0 278.352 2.760 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189638861 382631484 /nfs/dbraw/zinc/63/14/84/382631484.db2.gz KTVUYHJZIWBAPV-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826293 382578182 /nfs/dbraw/zinc/57/81/82/382578182.db2.gz SLXFPCHHWICFCF-DGCLKSJQSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189932665 382645897 /nfs/dbraw/zinc/64/58/97/382645897.db2.gz OBAXCSYXOJBEIY-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000190300880 382661293 /nfs/dbraw/zinc/66/12/93/382661293.db2.gz ZXEQGEUYOLSVRN-LLVKDONJSA-N 1 0 292.364 2.766 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000190312868 382661512 /nfs/dbraw/zinc/66/15/12/382661512.db2.gz XQLLRAIDNQLYRP-UHFFFAOYSA-N 1 0 284.385 2.584 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190333483 382662572 /nfs/dbraw/zinc/66/25/72/382662572.db2.gz BEPZSHVMAYXBRW-RBSFLKMASA-N 1 0 276.336 2.560 20 5 CFBDRO C[NH+](C)CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593174 382710508 /nfs/dbraw/zinc/71/05/08/382710508.db2.gz YOOPFBICHRQZJH-OAHLLOKOSA-N 1 0 277.368 2.514 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192945043 382713863 /nfs/dbraw/zinc/71/38/63/382713863.db2.gz PNWUREMAQKQXGP-MLGOLLRUSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000193118971 382716086 /nfs/dbraw/zinc/71/60/86/382716086.db2.gz OWIJDCCTUKUDEK-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000193354312 382719115 /nfs/dbraw/zinc/71/91/15/382719115.db2.gz PPBMHHXMPORYDM-KGYLQXTDSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1cc(NCC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000336832124 382726328 /nfs/dbraw/zinc/72/63/28/382726328.db2.gz FFNFQPZOVKTLDX-UHFFFAOYSA-N 1 0 281.331 2.796 20 5 CFBDRO Cc1c(CNc2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000336866905 382736715 /nfs/dbraw/zinc/73/67/15/382736715.db2.gz YILUFNKKAMLIAA-UHFFFAOYSA-N 1 0 296.330 2.824 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194065045 382734119 /nfs/dbraw/zinc/73/41/19/382734119.db2.gz AXIFISVXBJPMTF-SNVBAGLBSA-N 1 0 279.296 2.735 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194059492 382734202 /nfs/dbraw/zinc/73/42/02/382734202.db2.gz UZPZOTGIAGLLTP-VHSXEESVSA-N 1 0 279.296 2.733 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195510088 382768710 /nfs/dbraw/zinc/76/87/10/382768710.db2.gz DPDOUCIVHJZWAZ-UHFFFAOYSA-N 1 0 284.385 2.726 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000217363700 382785914 /nfs/dbraw/zinc/78/59/14/382785914.db2.gz ZIWATRNRFCKESX-HIFRSBDPSA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000217363123 382785956 /nfs/dbraw/zinc/78/59/56/382785956.db2.gz XHQPNVFOJJIBBH-KGLIPLIRSA-N 1 0 279.315 2.773 20 5 CFBDRO C=Cn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194349807 382741465 /nfs/dbraw/zinc/74/14/65/382741465.db2.gz MMTZKCYCFIBYGJ-LLVKDONJSA-N 1 0 272.308 2.743 20 5 CFBDRO CC(C)[NH+](CCN(C)c1ncc([N+](=O)[O-])s1)C(C)C ZINC000336975663 382747484 /nfs/dbraw/zinc/74/74/84/382747484.db2.gz OHXSYUSTOODVPH-UHFFFAOYSA-N 1 0 286.401 2.606 20 5 CFBDRO CC(C)(C)[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000194633907 382750596 /nfs/dbraw/zinc/75/05/96/382750596.db2.gz JNIBGMHIVJESHO-IZPAUZPXSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000222470325 382802033 /nfs/dbraw/zinc/80/20/33/382802033.db2.gz VZXGWMZQJKLSRD-NXEZZACHSA-N 1 0 260.297 2.730 20 5 CFBDRO Cc1cnc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000576122972 382811425 /nfs/dbraw/zinc/81/14/25/382811425.db2.gz VNKKPYZDUILNLR-BETUJISGSA-N 1 0 293.367 2.655 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577200528 382851380 /nfs/dbraw/zinc/85/13/80/382851380.db2.gz ZOYUIDULLHAWMD-GFCCVEGCSA-N 1 0 297.786 2.774 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337474503 382827375 /nfs/dbraw/zinc/82/73/75/382827375.db2.gz RFIKETZJVUXRGR-CMPLNLGQSA-N 1 0 264.325 2.882 20 5 CFBDRO CCC[C@H]([NH2+]C[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227713468 382840363 /nfs/dbraw/zinc/84/03/63/382840363.db2.gz XVMLCBZWXNQCQU-GJZGRUSLSA-N 1 0 296.367 2.687 20 5 CFBDRO COc1cc(NCC[C@@H]2CCC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000227860224 382841590 /nfs/dbraw/zinc/84/15/90/382841590.db2.gz FSGDTQBFXUKOMP-JTQLQIEISA-N 1 0 297.330 2.544 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCOCC1 ZINC000577231470 382852509 /nfs/dbraw/zinc/85/25/09/382852509.db2.gz LJVRQAHPNNENDO-BXUZGUMPSA-N 1 0 276.336 2.741 20 5 CFBDRO CCC[N@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441284817 382905308 /nfs/dbraw/zinc/90/53/08/382905308.db2.gz XOXKCWYTEJERIQ-UHFFFAOYSA-N 1 0 282.340 2.714 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000231675286 382866211 /nfs/dbraw/zinc/86/62/11/382866211.db2.gz DLDNQNFVRBDUKO-ZKYQVNSYSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)(C)OCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648898 382866876 /nfs/dbraw/zinc/86/68/76/382866876.db2.gz NMSRHRRPBIEVBS-CYBMUJFWSA-N 1 0 278.352 2.987 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579136 382998051 /nfs/dbraw/zinc/99/80/51/382998051.db2.gz JEONOPSEPJPGFO-CQSZACIVSA-N 1 0 278.352 2.987 20 5 CFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245402591 382999397 /nfs/dbraw/zinc/99/93/97/382999397.db2.gz IPTQXDULVHCZJU-DGCLKSJQSA-N 1 0 292.335 2.541 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](C)CCO ZINC000579317649 383002780 /nfs/dbraw/zinc/00/27/80/383002780.db2.gz MBMGMSSMAKPZHG-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423358659 383062009 /nfs/dbraw/zinc/06/20/09/383062009.db2.gz JPTOTPWVJPZPHN-UGFHNGPFSA-N 1 0 277.368 2.634 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423378910 383072588 /nfs/dbraw/zinc/07/25/88/383072588.db2.gz LGKPBKUUCHMELS-IAQYHMDHSA-N 1 0 277.368 2.560 20 5 CFBDRO CCC[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000501062836 383137230 /nfs/dbraw/zinc/13/72/30/383137230.db2.gz DSYWKCDDZSSNTA-CYBMUJFWSA-N 1 0 277.368 2.905 20 5 CFBDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000449092003 383171100 /nfs/dbraw/zinc/17/11/00/383171100.db2.gz SHSPOLIHLYQLKK-NSHDSACASA-N 1 0 260.293 2.909 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000248146977 383214793 /nfs/dbraw/zinc/21/47/93/383214793.db2.gz QIBUIMJEOOLHOI-DZGCQCFKSA-N 1 0 289.379 2.511 20 5 CFBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000449279962 383196801 /nfs/dbraw/zinc/19/68/01/383196801.db2.gz UWIQZPINUHQKMC-DOMZBBRYSA-N 1 0 294.395 2.911 20 5 CFBDRO Cc1nn(C[C@@H]2CCCC[N@H+]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000339113824 383153690 /nfs/dbraw/zinc/15/36/90/383153690.db2.gz IFLWRXJQQKUJFN-ZDUSSCGKSA-N 1 0 280.372 2.671 20 5 CFBDRO CCOCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449067477 383158657 /nfs/dbraw/zinc/15/86/57/383158657.db2.gz LTIJJIAHLXMYLP-GFCCVEGCSA-N 1 0 266.341 2.542 20 5 CFBDRO CC(C)(CO)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449408953 383273779 /nfs/dbraw/zinc/27/37/79/383273779.db2.gz QEXIGQLLPLWEMO-ALCCZGGFSA-N 1 0 278.352 2.606 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449335802 383225227 /nfs/dbraw/zinc/22/52/27/383225227.db2.gz LXCMXIRWGPYIJV-IJLUTSLNSA-N 1 0 266.341 2.539 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000524619784 383377148 /nfs/dbraw/zinc/37/71/48/383377148.db2.gz JGFXUHGKLXHWBE-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253196000 383448320 /nfs/dbraw/zinc/44/83/20/383448320.db2.gz SEYIPTPMYNOWLA-JHJVBQTASA-N 1 0 277.368 2.573 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCCC[C@H]1O)CC2 ZINC000569007233 383461379 /nfs/dbraw/zinc/46/13/79/383461379.db2.gz FMHAPKNEZJDEPE-CZUORRHYSA-N 1 0 290.363 2.504 20 5 CFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000569089990 383466859 /nfs/dbraw/zinc/46/68/59/383466859.db2.gz RTZAVWHNVVQNSY-XQQFMLRXSA-N 1 0 292.383 2.768 20 5 CFBDRO CSCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255889072 383487474 /nfs/dbraw/zinc/48/74/74/383487474.db2.gz NPXOOAKFHPORBE-ALCCZGGFSA-N 1 0 266.366 2.903 20 5 CFBDRO COc1cc(C[N@@H+]2CCSC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488253020 383509569 /nfs/dbraw/zinc/50/95/69/383509569.db2.gz OWQJWLRWQCREHC-NSHDSACASA-N 1 0 296.392 2.788 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429461432 383534300 /nfs/dbraw/zinc/53/43/00/383534300.db2.gz JWYPPCONCJEZOD-PWSUYJOCSA-N 1 0 288.294 2.652 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C1CC1 ZINC000569826095 383541459 /nfs/dbraw/zinc/54/14/59/383541459.db2.gz WVIQOAHIGAEDIN-NHYWBVRUSA-N 1 0 289.379 2.654 20 5 CFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1ccccc1[N+](=O)[O-] ZINC000569847398 383543457 /nfs/dbraw/zinc/54/34/57/383543457.db2.gz TUZAFIGTUZRJFH-QGZVFWFLSA-N 1 0 297.358 2.653 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000341125309 383574334 /nfs/dbraw/zinc/57/43/34/383574334.db2.gz QCGFLRMTANTOSK-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000341125310 383574372 /nfs/dbraw/zinc/57/43/72/383574372.db2.gz QCGFLRMTANTOSK-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000450948177 383563680 /nfs/dbraw/zinc/56/36/80/383563680.db2.gz DXLRCJONKBQIFW-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H](O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553139 383644595 /nfs/dbraw/zinc/64/45/95/383644595.db2.gz XLUNHERPWMSQPK-HIFRSBDPSA-N 1 0 292.379 2.935 20 5 CFBDRO C[C@H](O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553142 383645479 /nfs/dbraw/zinc/64/54/79/383645479.db2.gz XLUNHERPWMSQPK-ZFWWWQNUSA-N 1 0 292.379 2.935 20 5 CFBDRO Cc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263220471 383656509 /nfs/dbraw/zinc/65/65/09/383656509.db2.gz LTIOTLJTNIAVHI-DOMZBBRYSA-N 1 0 291.351 2.749 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000451512439 383632965 /nfs/dbraw/zinc/63/29/65/383632965.db2.gz XPJYFSBVDWNQMQ-KGLIPLIRSA-N 1 0 294.351 2.507 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000451512440 383632982 /nfs/dbraw/zinc/63/29/82/383632982.db2.gz XPJYFSBVDWNQMQ-UONOGXRCSA-N 1 0 294.351 2.507 20 5 CFBDRO CC1CC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572104744 383754864 /nfs/dbraw/zinc/75/48/64/383754864.db2.gz YNLYZLUHZXYKAR-IFWUJCSASA-N 1 0 278.356 2.663 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN(C)C ZINC000571066313 383663066 /nfs/dbraw/zinc/66/30/66/383663066.db2.gz PXXSVTREJZGZMQ-RYUDHWBXSA-N 1 0 265.357 2.504 20 5 CFBDRO CC1(F)CC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453236242 383811662 /nfs/dbraw/zinc/81/16/62/383811662.db2.gz KWNPNZJQCXSLAP-ATJQQHLPSA-N 1 0 296.346 2.755 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@H]12 ZINC000531342501 383853635 /nfs/dbraw/zinc/85/36/35/383853635.db2.gz IAEIXYUACFETIQ-UPJWGTAASA-N 1 0 292.383 2.729 20 5 CFBDRO COC(C)(C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000531829821 383930081 /nfs/dbraw/zinc/93/00/81/383930081.db2.gz GYQAZZDLRUCYCV-UHFFFAOYSA-N 1 0 293.323 2.593 20 5 CFBDRO CC(C)([NH2+]CC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000437986202 383933132 /nfs/dbraw/zinc/93/31/32/383933132.db2.gz LFKPENGQYKZYGL-GFCCVEGCSA-N 1 0 278.352 2.846 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000573718129 383978787 /nfs/dbraw/zinc/97/87/87/383978787.db2.gz KIAAAUNFRFIMQG-ZOWXZIJZSA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000265793194 384001369 /nfs/dbraw/zinc/00/13/69/384001369.db2.gz RAQQESDZAPOBSA-CQSZACIVSA-N 1 0 292.360 2.654 20 5 CFBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000532579824 384047695 /nfs/dbraw/zinc/04/76/95/384047695.db2.gz VMUPQHPSTUUZIE-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)O ZINC000266009465 384052604 /nfs/dbraw/zinc/05/26/04/384052604.db2.gz LJJUOUHXSSXMNW-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO COc1cc(NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413351422 533029578 /nfs/dbraw/zinc/02/95/78/533029578.db2.gz ZNNVWUGZBGQZSL-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO COCCOCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020192927 285089892 /nfs/dbraw/zinc/08/98/92/285089892.db2.gz ZZASIDRMRLPLAX-ZDUSSCGKSA-N 1 0 296.367 2.607 20 5 CFBDRO CC(C)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266525349 384191783 /nfs/dbraw/zinc/19/17/83/384191783.db2.gz KCDDFBDMDFMYCG-CYBMUJFWSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000266786817 384237462 /nfs/dbraw/zinc/23/74/62/384237462.db2.gz OINLXPCLXNLMLL-UXEPBGEESA-N 1 0 298.342 2.904 20 5 CFBDRO CN(Cc1cnn(C)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266884362 384253280 /nfs/dbraw/zinc/25/32/80/384253280.db2.gz BSBDXNCMGIWFOF-UHFFFAOYSA-N 1 0 294.742 2.614 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000267098213 384298420 /nfs/dbraw/zinc/29/84/20/384298420.db2.gz SQQFFXAGFDACEO-LBPRGKRZSA-N 1 0 292.364 2.690 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000277759749 384396788 /nfs/dbraw/zinc/39/67/88/384396788.db2.gz MDKAETVZCJRRQS-ZDUSSCGKSA-N 1 0 284.381 2.783 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595984 384421838 /nfs/dbraw/zinc/42/18/38/384421838.db2.gz ITGPJADYHKFQEC-ZWNOBZJWSA-N 1 0 281.331 2.510 20 5 CFBDRO Cc1nc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000277698985 384380493 /nfs/dbraw/zinc/38/04/93/384380493.db2.gz HMWUAYUSHDXSCT-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344435628 220280885 /nfs/dbraw/zinc/28/08/85/220280885.db2.gz NSMNJMFZFSOTGF-UHFFFAOYSA-N 1 0 280.372 2.914 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000344433726 220281080 /nfs/dbraw/zinc/28/10/80/220281080.db2.gz MXUOWOPZGUQOLO-AWEZNQCLSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038589 285112204 /nfs/dbraw/zinc/11/22/04/285112204.db2.gz HZUJLDVNDULHDI-HOCLYGCPSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159521372 285115743 /nfs/dbraw/zinc/11/57/43/285115743.db2.gz ATSHLDZDNHYKDN-KKUMJFAQSA-N 1 0 288.347 2.642 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000269100405 384725686 /nfs/dbraw/zinc/72/56/86/384725686.db2.gz RLYBNSHQFIWXFE-KBPBESRZSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000268947746 384700181 /nfs/dbraw/zinc/70/01/81/384700181.db2.gz BRYSRBBWWPSNKW-TUAOUCFPSA-N 1 0 266.341 2.571 20 5 CFBDRO C[C@@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000268950292 384700830 /nfs/dbraw/zinc/70/08/30/384700830.db2.gz CCLZGDREHOYPDD-GFCCVEGCSA-N 1 0 286.335 2.753 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@H]3CCOC3)C2)cc1 ZINC000331534847 285138741 /nfs/dbraw/zinc/13/87/41/285138741.db2.gz XPVRBIMKIIDJMW-HIFRSBDPSA-N 1 0 276.336 2.563 20 5 CFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633909 384814014 /nfs/dbraw/zinc/81/40/14/384814014.db2.gz GNPMHJUVHXDUTN-FZMZJTMJSA-N 1 0 290.319 2.914 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000269696647 384840849 /nfs/dbraw/zinc/84/08/49/384840849.db2.gz KJUBBIXTWKQZFX-ZWNOBZJWSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1O)CCC2 ZINC000193306919 285145030 /nfs/dbraw/zinc/14/50/30/285145030.db2.gz WYSGDJVWMGHNPD-BZUAXINKSA-N 1 0 290.363 2.865 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC1)CCCC2 ZINC000417306989 285145675 /nfs/dbraw/zinc/14/56/75/285145675.db2.gz DUKUQEKEEARKRI-SWLSCSKDSA-N 1 0 276.336 2.741 20 5 CFBDRO C[NH+]1CCC([C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270170026 385002538 /nfs/dbraw/zinc/00/25/38/385002538.db2.gz KZZCUHFFNSLCNS-AWEZNQCLSA-N 1 0 289.379 2.763 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000270196945 385012224 /nfs/dbraw/zinc/01/22/24/385012224.db2.gz LOKUYTQINNXCOV-MRVPVSSYSA-N 1 0 280.715 2.822 20 5 CFBDRO Cc1c(C[N@@H+](CC2CCC2)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000280297507 384964193 /nfs/dbraw/zinc/96/41/93/384964193.db2.gz FNRQHXCDZSVIRF-LBPRGKRZSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[N@H+](CCOC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270678929 385187115 /nfs/dbraw/zinc/18/71/15/385187115.db2.gz CDTMFVZFCICVDA-LLVKDONJSA-N 1 0 252.314 2.624 20 5 CFBDRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270807007 385233220 /nfs/dbraw/zinc/23/32/20/385233220.db2.gz VSMIZTDHTVCQEW-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO Cc1ccncc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282412553 385305026 /nfs/dbraw/zinc/30/50/26/385305026.db2.gz IPDURZBXWWQRFL-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO COCC[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000282337864 385287463 /nfs/dbraw/zinc/28/74/63/385287463.db2.gz VDEPNGCHTRARQR-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282545311 385338436 /nfs/dbraw/zinc/33/84/36/385338436.db2.gz RVUZMGBHRBSUQZ-ZDUSSCGKSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264637611 285164098 /nfs/dbraw/zinc/16/40/98/285164098.db2.gz VENWWNALIXIEPG-CYBMUJFWSA-N 1 0 275.352 2.659 20 5 CFBDRO Cc1n[nH]c(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283077390 385432903 /nfs/dbraw/zinc/43/29/03/385432903.db2.gz QXARKGFEYODXDX-UHFFFAOYSA-N 1 0 288.351 2.609 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283432886 385465537 /nfs/dbraw/zinc/46/55/37/385465537.db2.gz CJFZCUCVGLSQCF-UHFFFAOYSA-N 1 0 292.383 2.709 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000288880970 197185058 /nfs/dbraw/zinc/18/50/58/197185058.db2.gz MAOQHQVKHCQJBU-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272422605 385533834 /nfs/dbraw/zinc/53/38/34/385533834.db2.gz MAFPLHVREWUBQO-RYUDHWBXSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284134243 385538849 /nfs/dbraw/zinc/53/88/49/385538849.db2.gz OLVLYSUFMQMMOD-UHFFFAOYSA-N 1 0 279.296 2.876 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272479313 385548321 /nfs/dbraw/zinc/54/83/21/385548321.db2.gz GMZHQPZVWUNGJR-ZFWWWQNUSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272557557 385564079 /nfs/dbraw/zinc/56/40/79/385564079.db2.gz DQWIRDQUKVRJNR-GOEBONIOSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCCO)CC2)c(F)c1 ZINC000272860255 385633936 /nfs/dbraw/zinc/63/39/36/385633936.db2.gz RXUSORPNCVXJBZ-UHFFFAOYSA-N 1 0 296.342 2.718 20 5 CFBDRO COc1cc(CN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000274350672 385772991 /nfs/dbraw/zinc/77/29/91/385772991.db2.gz XAOUTPBKOXVZFH-SECBINFHSA-N 1 0 268.288 2.584 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000274808090 385876020 /nfs/dbraw/zinc/87/60/20/385876020.db2.gz UBJXJMXTMCIELZ-LLVKDONJSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000275289505 385971617 /nfs/dbraw/zinc/97/16/17/385971617.db2.gz XUPXZZCILKWERM-UKRRQHHQSA-N 1 0 294.351 2.651 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276690663 386016002 /nfs/dbraw/zinc/01/60/02/386016002.db2.gz WFCRDWVAAZFMAG-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO CCOc1cc(CN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276830273 386055288 /nfs/dbraw/zinc/05/52/88/386055288.db2.gz AUUGDDBMORPUHG-LBPRGKRZSA-N 1 0 294.351 2.604 20 5 CFBDRO CCOc1cc(C[N@@H+]2CCCSCC2)ccc1[N+](=O)[O-] ZINC000276895920 386071898 /nfs/dbraw/zinc/07/18/98/386071898.db2.gz KXUJHXYQEDGEJX-UHFFFAOYSA-N 1 0 296.392 2.932 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1SCC[NH+](CC)CC ZINC000288304916 197048345 /nfs/dbraw/zinc/04/83/45/197048345.db2.gz CICOXYNQPKCLBR-UHFFFAOYSA-N 1 0 286.401 2.554 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281279875 195179008 /nfs/dbraw/zinc/17/90/08/195179008.db2.gz XKFIGYAZWMQWCP-SMDDNHRTSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCOCC1 ZINC000178730829 533222598 /nfs/dbraw/zinc/22/25/98/533222598.db2.gz LARDWDKQWQFGMX-LLVKDONJSA-N 1 0 294.351 2.508 20 5 CFBDRO CN(C)c1ccc(CNc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000341745862 130017229 /nfs/dbraw/zinc/01/72/29/130017229.db2.gz ZXHWZIPFDWYHJG-UHFFFAOYSA-N 1 0 290.298 2.807 20 5 CFBDRO CC1(C)CC(Nc2ncc([N+](=O)[O-])s2)CC(C)(C)[NH2+]1 ZINC000195507418 130744708 /nfs/dbraw/zinc/74/47/08/130744708.db2.gz SGXURWWWQCPGGC-UHFFFAOYSA-N 1 0 284.385 2.772 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000246834732 131097696 /nfs/dbraw/zinc/09/76/96/131097696.db2.gz BGYWUBWMFFKJAM-SCRDCRAPSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000252152130 131133261 /nfs/dbraw/zinc/13/32/61/131133261.db2.gz MQKYDYQMJVQHQY-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252196245 131133491 /nfs/dbraw/zinc/13/34/91/131133491.db2.gz SJSCSOWDXFPUPO-BXUZGUMPSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCCCO ZINC000263717286 131315037 /nfs/dbraw/zinc/31/50/37/131315037.db2.gz FBMURLZCWNHYPA-GFCCVEGCSA-N 1 0 266.341 2.750 20 5 CFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000263996807 131375704 /nfs/dbraw/zinc/37/57/04/131375704.db2.gz CZHUKIKLZYPFTP-MRXNPFEDSA-N 1 0 286.331 2.760 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CC2)CC1 ZINC000266972761 131805208 /nfs/dbraw/zinc/80/52/08/131805208.db2.gz MQDIJHSLXKBCGG-UHFFFAOYSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1nc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268429785 132008483 /nfs/dbraw/zinc/00/84/83/132008483.db2.gz AXFKNZWSSDJQLM-LBPRGKRZSA-N 1 0 290.323 2.606 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000268893877 132084692 /nfs/dbraw/zinc/08/46/92/132084692.db2.gz OPOASHDCCASVRZ-RISCZKNCSA-N 1 0 280.368 2.961 20 5 CFBDRO COCCC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268912249 132087090 /nfs/dbraw/zinc/08/70/90/132087090.db2.gz GOGJJXQNLIMHAP-GFCCVEGCSA-N 1 0 266.341 2.542 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000180423930 393482253 /nfs/dbraw/zinc/48/22/53/393482253.db2.gz LIANAGVWTFSLFQ-CYBMUJFWSA-N 1 0 293.367 2.637 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373488391 393466965 /nfs/dbraw/zinc/46/69/65/393466965.db2.gz ZJZWFPAACWLRIP-HUUCEWRRSA-N 1 0 276.336 2.657 20 5 CFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000181776335 393501153 /nfs/dbraw/zinc/50/11/53/393501153.db2.gz DUEKWWOGCOVHMI-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000375583534 393508747 /nfs/dbraw/zinc/50/87/47/393508747.db2.gz NZXQVTOHRRLURL-JTQLQIEISA-N 1 0 296.396 2.504 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182382463 393510080 /nfs/dbraw/zinc/51/00/80/393510080.db2.gz FECAQEUJZSWKIM-LLVKDONJSA-N 1 0 264.325 2.594 20 5 CFBDRO CC[C@H]([NH2+]CC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184518158 393528608 /nfs/dbraw/zinc/52/86/08/393528608.db2.gz KCUOWJNTUUGHFY-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186509247 393546243 /nfs/dbraw/zinc/54/62/43/393546243.db2.gz MIQQUUXEHNFLPH-NAGRZINJSA-N 1 0 264.325 2.573 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCOC(C)C)cccc1[N+](=O)[O-] ZINC000186633846 393548227 /nfs/dbraw/zinc/54/82/27/393548227.db2.gz BKKIJGQAEOXDPB-GFCCVEGCSA-N 1 0 266.341 2.979 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330817144 393554919 /nfs/dbraw/zinc/55/49/19/393554919.db2.gz GKAIYQTWZLGKJF-UPJWGTAASA-N 1 0 294.399 2.879 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2ccccc2)cs1 ZINC000042894771 393555589 /nfs/dbraw/zinc/55/55/89/393555589.db2.gz WFVQLMLHEISQJG-UHFFFAOYSA-N 1 0 278.333 2.825 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000191158211 393589643 /nfs/dbraw/zinc/58/96/43/393589643.db2.gz IFCWFPKCFQIUBG-UHFFFAOYSA-N 1 0 292.379 2.921 20 5 CFBDRO Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000218860119 393758485 /nfs/dbraw/zinc/75/84/85/393758485.db2.gz AHQKVFVJXOFFIB-NWDGAFQWSA-N 1 0 263.341 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCC2(O)CCC2)C2CC2)c1 ZINC000411319106 393698613 /nfs/dbraw/zinc/69/86/13/393698613.db2.gz DQWMHKSKQBMGMW-UHFFFAOYSA-N 1 0 290.363 2.864 20 5 CFBDRO CCCCNC(=O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411484103 393717911 /nfs/dbraw/zinc/71/79/11/393717911.db2.gz OHAGTXFPGQJSSQ-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO CCC[C@H](CCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000231383274 393781350 /nfs/dbraw/zinc/78/13/50/393781350.db2.gz WFPXSECXWKWBCW-SNVBAGLBSA-N 1 0 272.370 2.545 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737052 393869806 /nfs/dbraw/zinc/86/98/06/393869806.db2.gz NUKSQDKDKHSXDQ-SCRDCRAPSA-N 1 0 277.368 2.728 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000459784299 393888704 /nfs/dbraw/zinc/88/87/04/393888704.db2.gz XBQJHEISBKBOTP-SUHUHFCYSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424360548 393840780 /nfs/dbraw/zinc/84/07/80/393840780.db2.gz WGEASXKOZGUVQU-RUZUBIRVSA-N 1 0 260.337 2.914 20 5 CFBDRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246249245 393856686 /nfs/dbraw/zinc/85/66/86/393856686.db2.gz PEKAUNKIEWYRFU-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO CCOc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000471804370 393917214 /nfs/dbraw/zinc/91/72/14/393917214.db2.gz MAKAJJWTEQKSOJ-STQMWFEESA-N 1 0 293.367 2.888 20 5 CFBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])cc1F ZINC000347851757 393945317 /nfs/dbraw/zinc/94/53/17/393945317.db2.gz HOKZGLUPYFNINL-UHFFFAOYSA-N 1 0 299.346 2.504 20 5 CFBDRO CC(C)(O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429225727 393945414 /nfs/dbraw/zinc/94/54/14/393945414.db2.gz HMXHMZZQZVLCCL-UHFFFAOYSA-N 1 0 266.341 2.581 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417391177 393955535 /nfs/dbraw/zinc/95/55/35/393955535.db2.gz RGGLGZKRQLIPCC-CMPLNLGQSA-N 1 0 299.321 2.585 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000430207110 393968061 /nfs/dbraw/zinc/96/80/61/393968061.db2.gz YTVWGWCJCOXRKG-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213687 393969110 /nfs/dbraw/zinc/96/91/10/393969110.db2.gz UWNZOEVYKKAPLR-LBPRGKRZSA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C1CC1 ZINC000122778619 393971693 /nfs/dbraw/zinc/97/16/93/393971693.db2.gz RHGNEKBPTYASOK-MNOVXSKESA-N 1 0 291.351 2.700 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(C)(C)CC1 ZINC000127689424 394054122 /nfs/dbraw/zinc/05/41/22/394054122.db2.gz FKHCSZWLKGMWRF-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278766786 394062716 /nfs/dbraw/zinc/06/27/16/394062716.db2.gz NZXKFYWTLDIICO-PHIMTYICSA-N 1 0 295.770 2.554 20 5 CFBDRO C[C@H]1CCSCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000279180265 394065905 /nfs/dbraw/zinc/06/59/05/394065905.db2.gz CUKGAUXGLJFIEX-LBPRGKRZSA-N 1 0 280.393 2.965 20 5 CFBDRO C[NH2+][C@H](C)CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420241472 394103126 /nfs/dbraw/zinc/10/31/26/394103126.db2.gz MYDOHNPWCBRGAG-ZCFIWIBFSA-N 1 0 278.139 2.921 20 5 CFBDRO Cc1cc(N[C@@H]2CC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420150115 394086097 /nfs/dbraw/zinc/08/60/97/394086097.db2.gz JXSNYJUYHUDXLA-MRVPVSSYSA-N 1 0 289.257 2.696 20 5 CFBDRO CC(C)(CNc1ncc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000281890670 394089677 /nfs/dbraw/zinc/08/96/77/394089677.db2.gz MBPKKQULBSGZNM-UHFFFAOYSA-N 1 0 284.385 2.585 20 5 CFBDRO CC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420183730 394089974 /nfs/dbraw/zinc/08/99/74/394089974.db2.gz AEMXFIATOCMPNB-LBPRGKRZSA-N 1 0 291.351 2.599 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000420201288 394093278 /nfs/dbraw/zinc/09/32/78/394093278.db2.gz NGIAFDXVAGZOHX-JTQLQIEISA-N 1 0 288.351 2.719 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1(O)CCC1 ZINC000353505267 394031761 /nfs/dbraw/zinc/03/17/61/394031761.db2.gz CLKNQEVSGHWEOS-GFCCVEGCSA-N 1 0 278.352 2.811 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420272132 394112290 /nfs/dbraw/zinc/11/22/90/394112290.db2.gz CYRNLICUOPIGKE-GHMZBOCLSA-N 1 0 279.340 2.533 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])cc1F ZINC000420275268 394112952 /nfs/dbraw/zinc/11/29/52/394112952.db2.gz GQZVIVTXCUDJSL-HZNSRWLBSA-N 1 0 279.315 2.662 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130530365 394113166 /nfs/dbraw/zinc/11/31/66/394113166.db2.gz AJRZUPQXQSFFJT-GFCCVEGCSA-N 1 0 266.366 2.841 20 5 CFBDRO CSCCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000439477670 394118855 /nfs/dbraw/zinc/11/88/55/394118855.db2.gz VJIVFZKLTZHBLP-UHFFFAOYSA-N 1 0 284.381 2.659 20 5 CFBDRO C[NH2+]CCCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420385321 394119020 /nfs/dbraw/zinc/11/90/20/394119020.db2.gz HKBFFOBZVYVVDL-GFCCVEGCSA-N 1 0 265.357 2.506 20 5 CFBDRO CC(=O)c1ccc(N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000439660634 394125565 /nfs/dbraw/zinc/12/55/65/394125565.db2.gz JXLPZYJSVOSAIK-JSGCOSHPSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)CCCOC1 ZINC000449219967 394255659 /nfs/dbraw/zinc/25/56/59/394255659.db2.gz GBOMFPZABBJXCT-IUODEOHRSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2(O)CCC2)c(F)c1 ZINC000421380888 394211461 /nfs/dbraw/zinc/21/14/61/394211461.db2.gz WLBTUSVLOJIRLM-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO CCN(CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449112850 394217375 /nfs/dbraw/zinc/21/73/75/394217375.db2.gz TXIIBFHOEHOINU-AWEZNQCLSA-N 1 0 293.411 2.846 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000449150932 394230435 /nfs/dbraw/zinc/23/04/35/394230435.db2.gz UTZFNCUAZLAZAP-OCCSQVGLSA-N 1 0 294.395 2.913 20 5 CFBDRO CSCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159965 394235070 /nfs/dbraw/zinc/23/50/70/394235070.db2.gz JZWPCPLYFXZERJ-NSHDSACASA-N 1 0 268.382 2.869 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCCO ZINC000291519321 394240077 /nfs/dbraw/zinc/24/00/77/394240077.db2.gz IXWSOEAIUOIZAK-UHFFFAOYSA-N 1 0 293.150 2.764 20 5 CFBDRO CCC[C@H](CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173486 394241018 /nfs/dbraw/zinc/24/10/18/394241018.db2.gz LIHLPCKXDLLESJ-ZIAGYGMSSA-N 1 0 294.395 2.914 20 5 CFBDRO CC(C)OCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284055203 195971036 /nfs/dbraw/zinc/97/10/36/195971036.db2.gz KLJKIJRLCYKMHN-LLVKDONJSA-N 1 0 281.356 2.643 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccon1 ZINC000449235202 394261770 /nfs/dbraw/zinc/26/17/70/394261770.db2.gz FQAFMIUPHZLEMJ-GHMZBOCLSA-N 1 0 275.308 2.865 20 5 CFBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000156253973 394331356 /nfs/dbraw/zinc/33/13/56/394331356.db2.gz XSWDOCAGHAMWLL-UHFFFAOYSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCC1 ZINC000423515948 394288193 /nfs/dbraw/zinc/28/81/93/394288193.db2.gz XRDGWIFGGYHBPJ-WFASDCNBSA-N 1 0 291.395 2.633 20 5 CFBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493606640 394288711 /nfs/dbraw/zinc/28/87/11/394288711.db2.gz QRXQOAKQJMQBQB-KBPBESRZSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493606642 394288756 /nfs/dbraw/zinc/28/87/56/394288756.db2.gz QRXQOAKQJMQBQB-UONOGXRCSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493606641 394288771 /nfs/dbraw/zinc/28/87/71/394288771.db2.gz QRXQOAKQJMQBQB-KGLIPLIRSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)n1 ZINC000296090971 394306159 /nfs/dbraw/zinc/30/61/59/394306159.db2.gz TYFGAKXMVJFBJV-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296712358 394311222 /nfs/dbraw/zinc/31/12/22/394311222.db2.gz MEHIOKHVESLWDE-NWDGAFQWSA-N 1 0 293.367 2.501 20 5 CFBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000156716907 394338004 /nfs/dbraw/zinc/33/80/04/394338004.db2.gz PEJSHZAPYJCRSC-LBPRGKRZSA-N 1 0 280.372 2.692 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000510139470 394368237 /nfs/dbraw/zinc/36/82/37/394368237.db2.gz JXAJBTWOFXLTLV-TXEJJXNPSA-N 1 0 284.743 2.857 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000512887753 394368601 /nfs/dbraw/zinc/36/86/01/394368601.db2.gz BBADPIXMXYCHQC-NEPJUHHUSA-N 1 0 263.341 2.798 20 5 CFBDRO CC/C=C/C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453323849 394385521 /nfs/dbraw/zinc/38/55/21/394385521.db2.gz QFSGYRCNQLCTAD-QNTSXVQBSA-N 1 0 278.356 2.831 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453340341 394387354 /nfs/dbraw/zinc/38/73/54/394387354.db2.gz BPGWBCYAJZMVMH-OSAQELSMSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000537983004 394596861 /nfs/dbraw/zinc/59/68/61/394596861.db2.gz TUJSWCQBIQCTEC-BXUZGUMPSA-N 1 0 266.341 2.571 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC1 ZINC000537984776 394597354 /nfs/dbraw/zinc/59/73/54/394597354.db2.gz IZYGMIQTFPJWRS-LLVKDONJSA-N 1 0 291.351 2.702 20 5 CFBDRO COCC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000540622608 394650657 /nfs/dbraw/zinc/65/06/57/394650657.db2.gz UMUASMIKPPLDRB-UHFFFAOYSA-N 1 0 278.352 2.987 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CC2)CC1 ZINC000543453874 394731222 /nfs/dbraw/zinc/73/12/22/394731222.db2.gz SQERUNZOHYMRQP-UHFFFAOYSA-N 1 0 262.309 2.636 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(C4CC4)CC3)nc2c1 ZINC000542526855 394705893 /nfs/dbraw/zinc/70/58/93/394705893.db2.gz QRPFICAVVNERHS-UHFFFAOYSA-N 1 0 273.292 2.768 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000548096288 394910204 /nfs/dbraw/zinc/91/02/04/394910204.db2.gz QKDPLFXUTPILCO-PHIMTYICSA-N 1 0 291.351 2.715 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000555237752 394969058 /nfs/dbraw/zinc/96/90/58/394969058.db2.gz MTGUUTPBBHXQMM-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000189082467 296501175 /nfs/dbraw/zinc/50/11/75/296501175.db2.gz ZWJAIMYLIUXSFR-CYBMUJFWSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000558699337 395072646 /nfs/dbraw/zinc/07/26/46/395072646.db2.gz INEQHUYBPRYFOJ-CFVMTHIKSA-N 1 0 260.337 2.916 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](OC(F)F)C1 ZINC000558863478 395077907 /nfs/dbraw/zinc/07/79/07/395077907.db2.gz UXFQMQYGVSYVRD-ZJUUUORDSA-N 1 0 286.278 2.969 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000575600593 395091387 /nfs/dbraw/zinc/09/13/87/395091387.db2.gz XLVMVKBRWCYCTM-AWEZNQCLSA-N 1 0 291.395 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159521224 296504115 /nfs/dbraw/zinc/50/41/15/296504115.db2.gz ATSHLDZDNHYKDN-ZNMIVQPWSA-N 1 0 288.347 2.642 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H](C)OC)C(C)C ZINC000430229036 286249496 /nfs/dbraw/zinc/24/94/96/286249496.db2.gz UKARKYAZPWGHOJ-LBPRGKRZSA-N 1 0 296.367 2.849 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000269100409 292285873 /nfs/dbraw/zinc/28/58/73/292285873.db2.gz RLYBNSHQFIWXFE-KGLIPLIRSA-N 1 0 289.379 2.824 20 5 CFBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000343104452 154115640 /nfs/dbraw/zinc/11/56/40/154115640.db2.gz RZVPTQAUSVFPTP-UHFFFAOYSA-N 1 0 294.351 2.616 20 5 CFBDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000348060410 154301465 /nfs/dbraw/zinc/30/14/65/154301465.db2.gz GTCYQISFZPTVHX-VXGBXAGGSA-N 1 0 264.325 2.882 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000348065356 154303762 /nfs/dbraw/zinc/30/37/62/154303762.db2.gz QJPQDPNTPSOLEH-CHWSQXEVSA-N 1 0 276.336 2.882 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000348166159 154346322 /nfs/dbraw/zinc/34/63/22/154346322.db2.gz FUMRVZFHERPPDG-QWHCGFSZSA-N 1 0 292.383 2.607 20 5 CFBDRO COCCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000355508774 155026679 /nfs/dbraw/zinc/02/66/79/155026679.db2.gz YSUYWPXTUNYLCL-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO Cc1cnc(N[C@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000355783531 155084916 /nfs/dbraw/zinc/08/49/16/155084916.db2.gz OBDVDPQRDLCZQG-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO CC1=CCN(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000358230065 155681097 /nfs/dbraw/zinc/68/10/97/155681097.db2.gz GPIRTDHHDIFOCX-AWEZNQCLSA-N 1 0 289.379 2.897 20 5 CFBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000359148184 156004125 /nfs/dbraw/zinc/00/41/25/156004125.db2.gz UNZJQXIQBIYZFK-LURJTMIESA-N 1 0 268.260 2.944 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000366912937 156254690 /nfs/dbraw/zinc/25/46/90/156254690.db2.gz ZFSSNNNAAHEWGH-IINYFYTJSA-N 1 0 296.754 2.859 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cc1F ZINC000374515260 157125348 /nfs/dbraw/zinc/12/53/48/157125348.db2.gz SIOGFSXJJOQCBM-HUUCEWRRSA-N 1 0 294.326 2.877 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000374863219 157165851 /nfs/dbraw/zinc/16/58/51/157165851.db2.gz NTAYTYFHJWZEIP-QWHCGFSZSA-N 1 0 294.326 2.592 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000344412415 162038385 /nfs/dbraw/zinc/03/83/85/162038385.db2.gz SFPUENOGMAOUBS-NSHDSACASA-N 1 0 294.351 2.748 20 5 CFBDRO COc1cc(C[NH2+]CC2(C)CC2)c([N+](=O)[O-])cc1OC ZINC000344687778 162097797 /nfs/dbraw/zinc/09/77/97/162097797.db2.gz BCTOAIIOSSWCEL-UHFFFAOYSA-N 1 0 280.324 2.502 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(C)(C)O ZINC000344797769 162125118 /nfs/dbraw/zinc/12/51/18/162125118.db2.gz RBMXTBGAJROZEO-XFXZXTDPSA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCO1 ZINC000344843120 162133493 /nfs/dbraw/zinc/13/34/93/162133493.db2.gz FHOJLOSQLUGZMA-JQVXPOPVSA-N 1 0 276.336 2.767 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CCO)CC1 ZINC000344850075 162135374 /nfs/dbraw/zinc/13/53/74/162135374.db2.gz DAGSEJLSYSXAPN-LCYFTJDESA-N 1 0 290.363 2.750 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CCO ZINC000344882730 162139698 /nfs/dbraw/zinc/13/96/98/162139698.db2.gz XUYHZWCDSWLWCS-FMNNIJNLSA-N 1 0 278.352 2.606 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCC(CO)CC1 ZINC000344905860 162144752 /nfs/dbraw/zinc/14/47/52/162144752.db2.gz XDGWGETXWXXSSY-HYXAFXHYSA-N 1 0 290.363 2.749 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCCO ZINC000345030854 162164624 /nfs/dbraw/zinc/16/46/24/162164624.db2.gz LGULHSRZRZQXHA-KIWPFMIBSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@H](CCO)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000345043541 162166747 /nfs/dbraw/zinc/16/67/47/162166747.db2.gz IHNLXJLMJNKHEV-XXYUJHKVSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000346209974 162352441 /nfs/dbraw/zinc/35/24/41/162352441.db2.gz ONKOEVYCVLIFKG-GHMZBOCLSA-N 1 0 283.397 2.571 20 5 CFBDRO C[NH2+]CCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346684932 162488426 /nfs/dbraw/zinc/48/84/26/162488426.db2.gz SEGVOILOUOTOER-UHFFFAOYSA-N 1 0 289.335 2.506 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348521341 162865975 /nfs/dbraw/zinc/86/59/75/162865975.db2.gz PKYHUVOFDUBFGH-JQWIXIFHSA-N 1 0 286.278 2.845 20 5 CFBDRO COC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000349768303 163011963 /nfs/dbraw/zinc/01/19/63/163011963.db2.gz PHMYTFVGUVCJSO-XQRVVYSFSA-N 1 0 276.336 2.719 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccnn1C ZINC000350032010 163051273 /nfs/dbraw/zinc/05/12/73/163051273.db2.gz AAQCNNMQACSLBU-NSHDSACASA-N 1 0 274.324 2.521 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350311716 163072000 /nfs/dbraw/zinc/07/20/00/163072000.db2.gz JYAKUSCXUUPOPW-CMPLNLGQSA-N 1 0 284.331 2.621 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000350312687 163072815 /nfs/dbraw/zinc/07/28/15/163072815.db2.gz SWDOMXGAVNOHIN-LBPRGKRZSA-N 1 0 294.326 2.925 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000350390684 163076669 /nfs/dbraw/zinc/07/66/69/163076669.db2.gz KQWYBGOHTUXBPW-BXUZGUMPSA-N 1 0 264.325 2.560 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000351477797 163132090 /nfs/dbraw/zinc/13/20/90/163132090.db2.gz UVURFRSEDLNQHR-SNVBAGLBSA-N 1 0 299.346 2.885 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353037887 163291945 /nfs/dbraw/zinc/29/19/45/163291945.db2.gz XNYPMUCPFYBFTM-UHFFFAOYSA-N 1 0 296.330 2.841 20 5 CFBDRO CCn1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000353082744 163303411 /nfs/dbraw/zinc/30/34/11/163303411.db2.gz GMANAZLXERQDIM-ALCCZGGFSA-N 1 0 286.335 2.614 20 5 CFBDRO Cc1cc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000353089225 163305412 /nfs/dbraw/zinc/30/54/12/163305412.db2.gz RRPFTGYAEWIAAB-UHFFFAOYSA-N 1 0 275.308 2.532 20 5 CFBDRO CC(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)(C)C ZINC000353560485 163395342 /nfs/dbraw/zinc/39/53/42/163395342.db2.gz OELOWCCDJLAXIQ-UHFFFAOYSA-N 1 0 282.388 2.832 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000295143424 287060193 /nfs/dbraw/zinc/06/01/93/287060193.db2.gz CMESZICJJGKHQH-ZWNOBZJWSA-N 1 0 264.325 2.813 20 5 CFBDRO CCn1nccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000284427417 196052296 /nfs/dbraw/zinc/05/22/96/196052296.db2.gz PBUPDHAKAAFTAJ-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO COCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020142954 171028843 /nfs/dbraw/zinc/02/88/43/171028843.db2.gz BAUSWKNKACGPFQ-LLVKDONJSA-N 1 0 252.314 2.590 20 5 CFBDRO CC(C)[C@@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000020200975 171064515 /nfs/dbraw/zinc/06/45/15/171064515.db2.gz LVQZKSLCHWHEMP-MRXNPFEDSA-N 1 0 291.395 2.805 20 5 CFBDRO CC(C)C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000020201775 171066286 /nfs/dbraw/zinc/06/62/86/171066286.db2.gz QWSFCHKJDMKCKS-HNNXBMFYSA-N 1 0 279.384 2.661 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284651886 196104518 /nfs/dbraw/zinc/10/45/18/196104518.db2.gz GCBRGNVCPANYSD-LSDHHAIUSA-N 1 0 276.336 2.738 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000020526017 171238801 /nfs/dbraw/zinc/23/88/01/171238801.db2.gz AGUSXWKGMCYRLG-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000021504367 171307189 /nfs/dbraw/zinc/30/71/89/171307189.db2.gz FRPOMFVKZCJKST-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284879791 196149959 /nfs/dbraw/zinc/14/99/59/196149959.db2.gz BJDYSYBSKODTQW-AAEUAGOBSA-N 1 0 293.367 2.787 20 5 CFBDRO CC[NH+](CC)CCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995308 171923690 /nfs/dbraw/zinc/92/36/90/171923690.db2.gz LZFZPBXKWZZBIV-UHFFFAOYSA-N 1 0 279.384 2.725 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000035115425 171987463 /nfs/dbraw/zinc/98/74/63/171987463.db2.gz SCSQHOCCNCJHSL-MLGOLLRUSA-N 1 0 286.331 2.979 20 5 CFBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285051121 196186428 /nfs/dbraw/zinc/18/64/28/196186428.db2.gz ILKKMRSKXBTJDL-MNOVXSKESA-N 1 0 295.383 2.625 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000285106955 196198715 /nfs/dbraw/zinc/19/87/15/196198715.db2.gz QTEAQHBCWADNOZ-JKSUJKDBSA-N 1 0 299.330 2.610 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285281466 196240125 /nfs/dbraw/zinc/24/01/25/196240125.db2.gz RGWWXFHCEMXUAZ-WDEREUQCSA-N 1 0 293.367 2.643 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2)cc1 ZINC000035677543 172348639 /nfs/dbraw/zinc/34/86/39/172348639.db2.gz YIBHHPKCUYKTTB-UHFFFAOYSA-N 1 0 256.305 2.927 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000285493793 196304485 /nfs/dbraw/zinc/30/44/85/196304485.db2.gz IVEHMPKQTKHJJX-GFCCVEGCSA-N 1 0 270.354 2.705 20 5 CFBDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177213 173010922 /nfs/dbraw/zinc/01/09/22/173010922.db2.gz UPWXHKDREYAGAU-LBPRGKRZSA-N 1 0 274.324 2.532 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000285707099 196373085 /nfs/dbraw/zinc/37/30/85/196373085.db2.gz WFTGHJHGSRAUQW-OAHLLOKOSA-N 1 0 278.352 2.952 20 5 CFBDRO CCC[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285720784 196377640 /nfs/dbraw/zinc/37/76/40/196377640.db2.gz WWYBIXMXBCNQMX-OAHLLOKOSA-N 1 0 294.351 2.522 20 5 CFBDRO C[NH+](C)CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378972 173167397 /nfs/dbraw/zinc/16/73/97/173167397.db2.gz USFNSZZQLOOWAY-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000037668373 173610177 /nfs/dbraw/zinc/61/01/77/173610177.db2.gz XEMGYXNLOKLXQH-UHFFFAOYSA-N 1 0 268.316 2.852 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000038043621 174050836 /nfs/dbraw/zinc/05/08/36/174050836.db2.gz QFIVZCQSUHFELL-VXGBXAGGSA-N 1 0 264.325 2.672 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038044381 174052199 /nfs/dbraw/zinc/05/21/99/174052199.db2.gz GPUGVDJDKRNATP-QWHCGFSZSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000038079450 174089137 /nfs/dbraw/zinc/08/91/37/174089137.db2.gz GVEQOEWLCGYZSL-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087862 174100303 /nfs/dbraw/zinc/10/03/03/174100303.db2.gz ASXPUHCOQUZHOP-SWLSCSKDSA-N 1 0 279.384 2.976 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCSCC2)cc1 ZINC000040675970 174373336 /nfs/dbraw/zinc/37/33/36/174373336.db2.gz NBGPOLHNFXGRGX-UHFFFAOYSA-N 1 0 266.366 2.623 20 5 CFBDRO CC[NH+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000041894604 174625337 /nfs/dbraw/zinc/62/53/37/174625337.db2.gz OEEGNWLPWTUSGU-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534268 175197116 /nfs/dbraw/zinc/19/71/16/175197116.db2.gz XDECNNIGFMSAIK-STQMWFEESA-N 1 0 277.368 2.587 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534306 175197361 /nfs/dbraw/zinc/19/73/61/175197361.db2.gz UKAZFNOYKOWBAQ-UONOGXRCSA-N 1 0 291.395 2.896 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000044537763 175200218 /nfs/dbraw/zinc/20/02/18/175200218.db2.gz NBDLVLBYTIUKLT-GFCCVEGCSA-N 1 0 263.341 2.657 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000044572298 175209988 /nfs/dbraw/zinc/20/99/88/175209988.db2.gz XRZOTIDEQHRJES-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044725868 175237884 /nfs/dbraw/zinc/23/78/84/175237884.db2.gz RZQXDIHYDUEBAF-NSHDSACASA-N 1 0 261.325 2.552 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044725867 175238233 /nfs/dbraw/zinc/23/82/33/175238233.db2.gz RZQXDIHYDUEBAF-LLVKDONJSA-N 1 0 261.325 2.552 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000044747979 175243652 /nfs/dbraw/zinc/24/36/52/175243652.db2.gz MDRPKOPOEXBCDZ-NSHDSACASA-N 1 0 276.296 2.609 20 5 CFBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000286399407 196591162 /nfs/dbraw/zinc/59/11/62/196591162.db2.gz NXAHAWZDGRNDGY-LBPRGKRZSA-N 1 0 292.383 2.711 20 5 CFBDRO CCC[C@H]([NH2+]Cc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000071333272 176125891 /nfs/dbraw/zinc/12/58/91/176125891.db2.gz CUZBFWCRAGDKEA-HNNXBMFYSA-N 1 0 288.351 2.959 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000071333274 176126059 /nfs/dbraw/zinc/12/60/59/176126059.db2.gz CUZBFWCRAGDKEA-OAHLLOKOSA-N 1 0 288.351 2.959 20 5 CFBDRO CC(=O)c1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078542582 177352019 /nfs/dbraw/zinc/35/20/19/177352019.db2.gz DSCMHEWTTBKBSE-HNNXBMFYSA-N 1 0 291.351 2.550 20 5 CFBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000344431456 225073248 /nfs/dbraw/zinc/07/32/48/225073248.db2.gz GGUNWGRETIPJGT-UHFFFAOYSA-N 1 0 286.335 2.838 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC23CC3)c(F)c1 ZINC000418101844 228042948 /nfs/dbraw/zinc/04/29/48/228042948.db2.gz TZWKYOZRCUOUTA-SNVBAGLBSA-N 1 0 250.273 2.624 20 5 CFBDRO COc1ccc(C[NH2+]C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000395232660 270312080 /nfs/dbraw/zinc/31/20/80/270312080.db2.gz VKCFVGYEMOLESM-UHFFFAOYSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000222589612 260225871 /nfs/dbraw/zinc/22/58/71/260225871.db2.gz DRJDXHPKPMEZPV-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313069457 260244029 /nfs/dbraw/zinc/24/40/29/260244029.db2.gz SFIZAEPCUBQXER-FZMZJTMJSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCCC[C@H]1O)C2 ZINC000518192452 260352699 /nfs/dbraw/zinc/35/26/99/260352699.db2.gz KAUCHTFIKSSFDE-CZUORRHYSA-N 1 0 290.363 2.504 20 5 CFBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361237223 261179523 /nfs/dbraw/zinc/17/95/23/261179523.db2.gz NNTIIYRMSLRQBL-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190044365 264345779 /nfs/dbraw/zinc/34/57/79/264345779.db2.gz PWASIDQBVQXSQS-WBMJQRKESA-N 1 0 292.379 2.921 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192841777 270235315 /nfs/dbraw/zinc/23/53/15/270235315.db2.gz NUOPGRDSSQRSKE-LSDHHAIUSA-N 1 0 278.352 2.723 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000237143011 270264892 /nfs/dbraw/zinc/26/48/92/270264892.db2.gz KBSCEEITQQPTGG-VIFPVBQESA-N 1 0 280.324 2.500 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000250057538 270271579 /nfs/dbraw/zinc/27/15/79/270271579.db2.gz MPVYGSRHTGXBTE-LEWSCRJBSA-N 1 0 278.352 2.713 20 5 CFBDRO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000322915841 270297862 /nfs/dbraw/zinc/29/78/62/270297862.db2.gz KQTAHWCJLZGJEL-YHWZYXNKSA-N 1 0 291.351 2.641 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000395131670 270311004 /nfs/dbraw/zinc/31/10/04/270311004.db2.gz QMFYHKSQRUVUFZ-JFGNBEQYSA-N 1 0 264.325 2.738 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@H]2F)n1 ZINC000516776959 270387971 /nfs/dbraw/zinc/38/79/71/270387971.db2.gz GQZXLDARYFLRLY-VOAKCMCISA-N 1 0 296.346 2.755 20 5 CFBDRO C[NH+](C)C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000218906915 273791927 /nfs/dbraw/zinc/79/19/27/273791927.db2.gz HMSZGAAQJSWHOA-UHFFFAOYSA-N 1 0 285.294 2.769 20 5 CFBDRO C[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000130363963 274226381 /nfs/dbraw/zinc/22/63/81/274226381.db2.gz NHFCLHFEGVYENW-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H](O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000354734598 274264996 /nfs/dbraw/zinc/26/49/96/274264996.db2.gz OZCHPBRSYLMVAP-GFCCVEGCSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000266786810 274524039 /nfs/dbraw/zinc/52/40/39/274524039.db2.gz OINLXPCLXNLMLL-CXMBCZLWSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC000286434925 274621196 /nfs/dbraw/zinc/62/11/96/274621196.db2.gz SCTKRASGMVEUGD-AAEUAGOBSA-N 1 0 293.342 2.797 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277173820 274704867 /nfs/dbraw/zinc/70/48/67/274704867.db2.gz MZSIJHRAOGQNLE-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C1CC1)[NH+](C)C ZINC000120608194 274797068 /nfs/dbraw/zinc/79/70/68/274797068.db2.gz ZDCGZFKCADFZRV-ZDUSSCGKSA-N 1 0 263.341 2.655 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](C2CCC2)CC1 ZINC000355745685 275033295 /nfs/dbraw/zinc/03/32/95/275033295.db2.gz DNKOGXYUXRJXCH-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000287314972 275035869 /nfs/dbraw/zinc/03/58/69/275035869.db2.gz NLQYQNKGTQIVNS-LBPRGKRZSA-N 1 0 293.754 2.699 20 5 CFBDRO CCCC[C@H](C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343687171 275983717 /nfs/dbraw/zinc/98/37/17/275983717.db2.gz ZUEGRPNSEITICZ-RYUDHWBXSA-N 1 0 268.361 2.596 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000273406031 276002257 /nfs/dbraw/zinc/00/22/57/276002257.db2.gz HFXIZUJHVFLHQH-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000266184490 276115034 /nfs/dbraw/zinc/11/50/34/276115034.db2.gz DBXUXBPIJWKLAR-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CCN(CCC[NH+](C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289432501 276123033 /nfs/dbraw/zinc/12/30/33/276123033.db2.gz KYLQPXQUYKMONB-UHFFFAOYSA-N 1 0 279.384 2.677 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000037401092 276188171 /nfs/dbraw/zinc/18/81/71/276188171.db2.gz XSQNJFBNIXWVQX-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346184183 276242312 /nfs/dbraw/zinc/24/23/12/276242312.db2.gz KYYJBHSSPVYLSN-CHWSQXEVSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000127642829 276339903 /nfs/dbraw/zinc/33/99/03/276339903.db2.gz BYBKHCDCWRUGBY-CHWSQXEVSA-N 1 0 279.384 2.976 20 5 CFBDRO C[NH+](C)C1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302438419 276775107 /nfs/dbraw/zinc/77/51/07/276775107.db2.gz QXDHFDCGMDEFPI-UHFFFAOYSA-N 1 0 290.150 2.652 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287932053 276831587 /nfs/dbraw/zinc/83/15/87/276831587.db2.gz XIAYTAKKTJZLOD-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000268816370 277070098 /nfs/dbraw/zinc/07/00/98/277070098.db2.gz IMGMHDVMQMFGLL-IUODEOHRSA-N 1 0 275.352 2.515 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000133611294 277084721 /nfs/dbraw/zinc/08/47/21/277084721.db2.gz JCEOAYDMKZSYKS-STQMWFEESA-N 1 0 275.352 2.515 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668454 277284620 /nfs/dbraw/zinc/28/46/20/277284620.db2.gz GFNLSXNXVGLJKO-ZIAGYGMSSA-N 1 0 264.325 2.642 20 5 CFBDRO COCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279169520 277498882 /nfs/dbraw/zinc/49/88/82/277498882.db2.gz UPLLMVRVHHPCGZ-CQSZACIVSA-N 1 0 278.352 2.943 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433223704 277563140 /nfs/dbraw/zinc/56/31/40/277563140.db2.gz SBRPYAAIWUMWIJ-YGRLFVJLSA-N 1 0 278.352 2.942 20 5 CFBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000275652909 277568979 /nfs/dbraw/zinc/56/89/79/277568979.db2.gz ABUOWKWBSUIKTJ-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H]([C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000181443766 277645820 /nfs/dbraw/zinc/64/58/20/277645820.db2.gz YBSNDGPOTRYFBR-STQMWFEESA-N 1 0 294.399 2.986 20 5 CFBDRO C[C@H](CCCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000168248009 278169922 /nfs/dbraw/zinc/16/99/22/278169922.db2.gz KBEOWEFZYLQOKK-IUODEOHRSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177079 278257964 /nfs/dbraw/zinc/25/79/64/278257964.db2.gz OVTBYWGKXANVQS-ZDUSSCGKSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000166633682 278389594 /nfs/dbraw/zinc/38/95/94/278389594.db2.gz VZBKFZBMDYKLNP-NVGVWMPQSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000251566643 278483362 /nfs/dbraw/zinc/48/33/62/278483362.db2.gz ANCPMHOHEWZXAV-YGRLFVJLSA-N 1 0 297.786 2.807 20 5 CFBDRO CC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423372725 288090157 /nfs/dbraw/zinc/09/01/57/288090157.db2.gz IPIIWINQKKAAGZ-ZLDLUXBVSA-N 1 0 277.368 2.776 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000449071629 279382978 /nfs/dbraw/zinc/38/29/78/279382978.db2.gz BTCQMQVLDGEWFR-JMSVASOKSA-N 1 0 278.352 2.683 20 5 CFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900623 280127699 /nfs/dbraw/zinc/12/76/99/280127699.db2.gz CRJXPRSSYJEPQU-CHWSQXEVSA-N 1 0 280.372 2.692 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000219241641 280233492 /nfs/dbraw/zinc/23/34/92/280233492.db2.gz UGVPIDNOFPGFRD-AAEUAGOBSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062983395 280353560 /nfs/dbraw/zinc/35/35/60/280353560.db2.gz PGHWUBMDQHGWDH-LBPRGKRZSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000122526871 280628028 /nfs/dbraw/zinc/62/80/28/280628028.db2.gz NPDOCGXAMBLKCZ-NSHDSACASA-N 1 0 287.319 2.521 20 5 CFBDRO CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000126255996 280651363 /nfs/dbraw/zinc/65/13/63/280651363.db2.gz JPICVHMDHKYFQJ-NWANDNLSSA-N 1 0 292.379 2.667 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131540327 280720109 /nfs/dbraw/zinc/72/01/09/280720109.db2.gz SLYQPYAQFKFLPY-LBPRGKRZSA-N 1 0 266.341 2.980 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000135699934 280829515 /nfs/dbraw/zinc/82/95/15/280829515.db2.gz KFRBCZKFJLQBCS-GFCCVEGCSA-N 1 0 266.366 2.888 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191832548 280981423 /nfs/dbraw/zinc/98/14/23/280981423.db2.gz MATNIRZQFKNCEY-OBJOEFQTSA-N 1 0 278.352 2.979 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000248594865 281027114 /nfs/dbraw/zinc/02/71/14/281027114.db2.gz SLOKOJIQEXQRKI-MCIONIFRSA-N 1 0 294.399 2.842 20 5 CFBDRO Cc1c(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000249046810 281045809 /nfs/dbraw/zinc/04/58/09/281045809.db2.gz NRYXVYJKWNUNBO-GNXNZQSNSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249626028 281064660 /nfs/dbraw/zinc/06/46/60/281064660.db2.gz UANOCNMNCUFWIZ-NXEZZACHSA-N 1 0 284.385 2.584 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000294909249 281140333 /nfs/dbraw/zinc/14/03/33/281140333.db2.gz XYCAPACYPSAQFK-CYBMUJFWSA-N 1 0 294.395 2.914 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337311337 281165255 /nfs/dbraw/zinc/16/52/55/281165255.db2.gz CLKWBVGLIOFLSN-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO Cc1cccc(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302521444 281224592 /nfs/dbraw/zinc/22/45/92/281224592.db2.gz XQWLJVAFVUNIDY-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000512887756 281261418 /nfs/dbraw/zinc/26/14/18/281261418.db2.gz BBADPIXMXYCHQC-VXGBXAGGSA-N 1 0 263.341 2.798 20 5 CFBDRO COc1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000515831844 281298280 /nfs/dbraw/zinc/29/82/80/281298280.db2.gz VZODNYDAULXREC-HAQNSBGRSA-N 1 0 294.351 2.747 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C2CCC1CC2 ZINC000516135698 281299747 /nfs/dbraw/zinc/29/97/47/281299747.db2.gz RGQDGUBSIHAMQU-UHFFFAOYSA-N 1 0 262.309 2.730 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCC[NH+](C)C ZINC000516348344 281302912 /nfs/dbraw/zinc/30/29/12/281302912.db2.gz SXKPOVLDFGKSGR-SDNWHVSQSA-N 1 0 291.395 2.882 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)C(C)C ZINC000519559324 281308995 /nfs/dbraw/zinc/30/89/95/281308995.db2.gz QGKCIGIUIQVWEB-LPYTZGJOSA-N 1 0 292.379 2.852 20 5 CFBDRO COC[C@H](C)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000527111445 281325314 /nfs/dbraw/zinc/32/53/14/281325314.db2.gz DZRUHFVYNZPYAW-CYBMUJFWSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H](C)CO ZINC000540150414 281582236 /nfs/dbraw/zinc/58/22/36/281582236.db2.gz HMSIZOFVSMHVRL-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000547980709 281762672 /nfs/dbraw/zinc/76/26/72/281762672.db2.gz SUQDXTXJUKSTIM-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n(C)n1 ZINC000551777674 281841398 /nfs/dbraw/zinc/84/13/98/281841398.db2.gz PFLPKUKGZZDNSN-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000561880855 282062321 /nfs/dbraw/zinc/06/23/21/282062321.db2.gz WGKRCQKCTXUCSZ-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152923341 289857756 /nfs/dbraw/zinc/85/77/56/289857756.db2.gz OEXAEKFQDHIMPD-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000304144760 290007735 /nfs/dbraw/zinc/00/77/35/290007735.db2.gz WRQLKVGFEHXYIM-NSHDSACASA-N 1 0 266.341 2.579 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000268786663 290027578 /nfs/dbraw/zinc/02/75/78/290027578.db2.gz CRHUFWIXQGZLTJ-MQIPJXDCSA-N 1 0 289.379 2.728 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](C)O ZINC000562789443 290076013 /nfs/dbraw/zinc/07/60/13/290076013.db2.gz ASIOXLJHGNJZRK-MJVIPROJSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000563153314 290109596 /nfs/dbraw/zinc/10/95/96/290109596.db2.gz RDESFFVHYMBFOU-OLZOCXBDSA-N 1 0 277.368 2.635 20 5 CFBDRO CCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])COC1 ZINC000563416315 290146491 /nfs/dbraw/zinc/14/64/91/290146491.db2.gz HZIOLJBBSRKKNX-CYBMUJFWSA-N 1 0 276.336 2.598 20 5 CFBDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000563549271 290160027 /nfs/dbraw/zinc/16/00/27/290160027.db2.gz FLSDWIBBFAWRLS-LLVKDONJSA-N 1 0 288.351 2.796 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)CC ZINC000564099507 290192745 /nfs/dbraw/zinc/19/27/45/290192745.db2.gz KIGYVAHVUOJWTO-IPYPFGDCSA-N 1 0 278.352 2.721 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000564727468 290227348 /nfs/dbraw/zinc/22/73/48/290227348.db2.gz DQJGXTHFGBQXST-AAEUAGOBSA-N 1 0 278.352 2.985 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564811924 290234827 /nfs/dbraw/zinc/23/48/27/290234827.db2.gz SGRURXSVBVZFTG-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000564929678 290250278 /nfs/dbraw/zinc/25/02/78/290250278.db2.gz PRBHIBAPGDUJBR-UHFFFAOYSA-N 1 0 279.340 2.654 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000565218186 290283906 /nfs/dbraw/zinc/28/39/06/290283906.db2.gz LWKDBVNLTKRFCG-OCCSQVGLSA-N 1 0 278.352 2.721 20 5 CFBDRO COCCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475846 290391473 /nfs/dbraw/zinc/39/14/73/290391473.db2.gz QJXZMUWDWZKXDB-AWEZNQCLSA-N 1 0 278.352 2.988 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000566630662 290406601 /nfs/dbraw/zinc/40/66/01/290406601.db2.gz NCAXBBPQKLYDSF-AWEZNQCLSA-N 1 0 299.330 2.776 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC2(C1)CCOCC2 ZINC000568045392 290517764 /nfs/dbraw/zinc/51/77/64/290517764.db2.gz AFFODZQLDAYMAC-UHFFFAOYSA-N 1 0 276.336 2.516 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1O ZINC000568983634 290580301 /nfs/dbraw/zinc/58/03/01/290580301.db2.gz MMYQPLHMUUDVSI-QWRGUYRKSA-N 1 0 298.314 2.679 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276266952 293474402 /nfs/dbraw/zinc/47/44/02/293474402.db2.gz GPFBZVGPOKANLH-AXFHLTTASA-N 1 0 252.314 2.669 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000408172231 301202609 /nfs/dbraw/zinc/20/26/09/301202609.db2.gz UEWBEUYDNAOXNJ-QWHCGFSZSA-N 1 0 292.383 2.526 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000189080099 304807740 /nfs/dbraw/zinc/80/77/40/304807740.db2.gz LTRXZRIHDWACEF-CYBMUJFWSA-N 1 0 275.352 2.659 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000570580904 322540185 /nfs/dbraw/zinc/54/01/85/322540185.db2.gz HREDMBNLWJDFOD-XUJVJEKNSA-N 1 0 290.363 2.987 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC([NH2+]C(C)C)CC1 ZINC000572884047 322635664 /nfs/dbraw/zinc/63/56/64/322635664.db2.gz QBIBLSFPJOJFAH-UHFFFAOYSA-N 1 0 293.367 2.570 20 5 CFBDRO CC[NH2+]CCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000572951358 322638019 /nfs/dbraw/zinc/63/80/19/322638019.db2.gz HPAMXYNQCNKAEO-GFCCVEGCSA-N 1 0 265.357 2.553 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)CC1CCC1 ZINC000574703430 322703009 /nfs/dbraw/zinc/70/30/09/322703009.db2.gz MTQFNVYAORHPGQ-WFASDCNBSA-N 1 0 290.363 2.723 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576597510 324635851 /nfs/dbraw/zinc/63/58/51/324635851.db2.gz UUBLJQSVGBOPCC-HIFRSBDPSA-N 1 0 278.352 2.579 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(OCCC[NH+]2CCCCC2)c1 ZINC000577868612 324791385 /nfs/dbraw/zinc/79/13/85/324791385.db2.gz BKXNYTYZKIAIHD-UHFFFAOYSA-N 1 0 294.351 2.858 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC(F)F ZINC000578201528 324826960 /nfs/dbraw/zinc/82/69/60/324826960.db2.gz SAZSGPSDPDYODV-VHSXEESVSA-N 1 0 288.294 2.570 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000578893940 324900032 /nfs/dbraw/zinc/90/00/32/324900032.db2.gz IAZFQVVXVCVTPF-IINYFYTJSA-N 1 0 284.331 2.621 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000581097750 325089819 /nfs/dbraw/zinc/08/98/19/325089819.db2.gz ONAVBTBRWWHHGB-CHWSQXEVSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581499152 325127349 /nfs/dbraw/zinc/12/73/49/325127349.db2.gz VHUFDSKFRLWCAP-LERXQTSPSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H](O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000581877767 325155527 /nfs/dbraw/zinc/15/55/27/325155527.db2.gz FVYDAWACCALRDV-AWEZNQCLSA-N 1 0 290.363 2.783 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000582481345 325208851 /nfs/dbraw/zinc/20/88/51/325208851.db2.gz SYJURWCRHANBFU-HAQNSBGRSA-N 1 0 294.351 2.747 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cccnc1 ZINC000582796501 325235658 /nfs/dbraw/zinc/23/56/58/325235658.db2.gz RRHZWRMGWZGVEC-HNNXBMFYSA-N 1 0 283.331 2.809 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000361236972 521330860 /nfs/dbraw/zinc/33/08/60/521330860.db2.gz HPIQWQZEUGSULP-AWEZNQCLSA-N 1 0 264.325 2.514 20 5 CFBDRO CCSCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000300863247 521704633 /nfs/dbraw/zinc/70/46/33/521704633.db2.gz CSVQZUMHGZCNJK-UHFFFAOYSA-N 1 0 260.384 2.889 20 5 CFBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000158063445 533791814 /nfs/dbraw/zinc/79/18/14/533791814.db2.gz LCOABUFCCUESQL-JTQLQIEISA-N 1 0 294.351 2.842 20 5 CFBDRO Cc1c(C[N@H+]2CCSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000172587824 533847692 /nfs/dbraw/zinc/84/76/92/533847692.db2.gz KUAVPIWKDIGPNA-JTQLQIEISA-N 1 0 266.366 2.841 20 5 CFBDRO Cc1c([C@@H](C)N[C@@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000423259000 533948339 /nfs/dbraw/zinc/94/83/39/533948339.db2.gz CVVVRWARNFLJRY-CHWSQXEVSA-N 1 0 279.384 2.927 20 5 CFBDRO Cc1ccc(CN[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414832827 534081066 /nfs/dbraw/zinc/08/10/66/534081066.db2.gz DYOVMLVGKUTRTN-HNNXBMFYSA-N 1 0 291.395 2.900 20 5 CFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000354477033 520118675 /nfs/dbraw/zinc/11/86/75/520118675.db2.gz MRKLRSWHPJEPLP-LSDHHAIUSA-N 1 0 292.379 2.932 20 5 CFBDRO CCCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176205979 520174946 /nfs/dbraw/zinc/17/49/46/520174946.db2.gz WNGOGINKOBIVDV-UHFFFAOYSA-N 1 0 268.361 2.692 20 5 CFBDRO CCC[C@@H](C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365113656 520629734 /nfs/dbraw/zinc/62/97/34/520629734.db2.gz ABBCOSRHTGZXCI-GFCCVEGCSA-N 1 0 280.372 2.864 20 5 CFBDRO CCC[N@H+](CC)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000080242105 521608480 /nfs/dbraw/zinc/60/84/80/521608480.db2.gz VTQLKNBMSIOCNM-UHFFFAOYSA-N 1 0 279.384 2.725 20 5 CFBDRO CC[N@@H+]1CC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443489 521717034 /nfs/dbraw/zinc/71/70/34/521717034.db2.gz YIYOFUWJNGEFBP-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000142085431 521939118 /nfs/dbraw/zinc/93/91/18/521939118.db2.gz HPCCKKCGISOPCP-SRVKXCTJSA-N 1 0 293.367 2.946 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245466705 521998385 /nfs/dbraw/zinc/99/83/85/521998385.db2.gz RMIAAHLDSJYDAB-MISXGVKJSA-N 1 0 266.341 2.652 20 5 CFBDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000192864365 522687104 /nfs/dbraw/zinc/68/71/04/522687104.db2.gz VGGKIZKFMBOXKJ-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO COC(=O)C(C)(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000338547529 522749758 /nfs/dbraw/zinc/74/97/58/522749758.db2.gz SMYIBRLUXCNWMT-UHFFFAOYSA-N 1 0 294.351 2.616 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000230898232 522841779 /nfs/dbraw/zinc/84/17/79/522841779.db2.gz BKIDQEMCVVHEKO-OAHLLOKOSA-N 1 0 288.351 2.612 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000228941987 522906578 /nfs/dbraw/zinc/90/65/78/522906578.db2.gz RGPBLBVJEDNIFD-SMDDNHRTSA-N 1 0 293.367 2.549 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000360881594 523028822 /nfs/dbraw/zinc/02/88/22/523028822.db2.gz BKFTURQYYNSBGC-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](CC(C)C)[NH+](C)C ZINC000360882167 523146882 /nfs/dbraw/zinc/14/68/82/523146882.db2.gz ZRVODKJNSWJIIZ-LBPRGKRZSA-N 1 0 297.403 2.508 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361295 523404256 /nfs/dbraw/zinc/40/42/56/523404256.db2.gz IKKIKCLZRLODPT-OCCSQVGLSA-N 1 0 264.325 2.642 20 5 CFBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000073616612 523750305 /nfs/dbraw/zinc/75/03/05/523750305.db2.gz JNMGMEYTSQKHTG-UHFFFAOYSA-N 1 0 266.341 2.699 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366083153 523831868 /nfs/dbraw/zinc/83/18/68/523831868.db2.gz JPDBVAIODSKWIH-CHWSQXEVSA-N 1 0 293.342 2.797 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000360843102 523876067 /nfs/dbraw/zinc/87/60/67/523876067.db2.gz ZJOTWSRYGNYRRG-ZYHUDNBSSA-N 1 0 266.341 2.979 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000363448936 524029237 /nfs/dbraw/zinc/02/92/37/524029237.db2.gz HZPKTTBFNJNCRP-AWEZNQCLSA-N 1 0 284.319 2.588 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000054917828 524034117 /nfs/dbraw/zinc/03/41/17/524034117.db2.gz KPAZTPYEJMBQMD-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171911658 524098061 /nfs/dbraw/zinc/09/80/61/524098061.db2.gz CADAJNXRKPOXOJ-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311010031 524236457 /nfs/dbraw/zinc/23/64/57/524236457.db2.gz ZQSIDWJQYVOORK-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130372499 524478884 /nfs/dbraw/zinc/47/88/84/524478884.db2.gz SNZZFNZZFSBPNR-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000227535110 524695708 /nfs/dbraw/zinc/69/57/08/524695708.db2.gz ARJKSNAJKJEUCD-CHWSQXEVSA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443675 524780006 /nfs/dbraw/zinc/78/00/06/524780006.db2.gz YUYLGWPSNPEPEB-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000361155516 524919041 /nfs/dbraw/zinc/91/90/41/524919041.db2.gz UJNUEFITCQXQMN-APMKWMSLSA-N 1 0 289.379 2.632 20 5 CFBDRO C[C@@H]1C[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000338391043 525408919 /nfs/dbraw/zinc/40/89/19/525408919.db2.gz ZZAJCRQRVYVUEO-UKRRQHHQSA-N 1 0 292.379 2.884 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000338643618 525450915 /nfs/dbraw/zinc/45/09/15/525450915.db2.gz WBYNRSUPYXGPKZ-LBPRGKRZSA-N 1 0 295.383 2.992 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC)CC1 ZINC000361001089 525457504 /nfs/dbraw/zinc/45/75/04/525457504.db2.gz YMJAJVPTTRGBHO-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000340246054 525462718 /nfs/dbraw/zinc/46/27/18/525462718.db2.gz HIULYHJRAQAPNG-IUODEOHRSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000340321317 525464967 /nfs/dbraw/zinc/46/49/67/525464967.db2.gz AYAMLQLZFLAEQF-FZMZJTMJSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000166306696 525473361 /nfs/dbraw/zinc/47/33/61/525473361.db2.gz FNDHIPITEZMHDU-ABAIWWIYSA-N 1 0 277.368 2.586 20 5 CFBDRO C[C@H]([NH2+]Cc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000054788179 525481437 /nfs/dbraw/zinc/48/14/37/525481437.db2.gz QAEPNCBKBJAJJG-VIFPVBQESA-N 1 0 263.322 2.902 20 5 CFBDRO Cc1c(-c2nc([C@@H]([NH3+])CC(C)C)no2)cccc1[N+](=O)[O-] ZINC000339392181 525513506 /nfs/dbraw/zinc/51/35/06/525513506.db2.gz MDEUNXJZBNBPHF-NSHDSACASA-N 1 0 290.323 2.999 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000312632077 525558850 /nfs/dbraw/zinc/55/88/50/525558850.db2.gz QUDGWIPRDIBXNS-OUCADQQQSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000300415063 525578142 /nfs/dbraw/zinc/57/81/42/525578142.db2.gz RQKHKTPWAKGNOU-VQISRLSMSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000312466372 525612507 /nfs/dbraw/zinc/61/25/07/525612507.db2.gz QNVIKGNRWKGJFY-OBJOEFQTSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c(C[NH2+][C@@]2(C)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000235653747 525728346 /nfs/dbraw/zinc/72/83/46/525728346.db2.gz JWIHZILNIIHGHG-RISCZKNCSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305115087 525732021 /nfs/dbraw/zinc/73/20/21/525732021.db2.gz HQSCSLCWUYJJIO-IUODEOHRSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000162777921 525748836 /nfs/dbraw/zinc/74/88/36/525748836.db2.gz FTPUOKFUFIRFLK-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414583292 534887344 /nfs/dbraw/zinc/88/73/44/534887344.db2.gz LQHCKOHFUNKBQS-VXGBXAGGSA-N 1 0 258.277 2.834 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000361352894 525897024 /nfs/dbraw/zinc/89/70/24/525897024.db2.gz RRAANDNVFZYFSO-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000084726462 526062490 /nfs/dbraw/zinc/06/24/90/526062490.db2.gz SGGVFWSOWKSSAD-GFCCVEGCSA-N 1 0 263.341 2.657 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000339888282 526082670 /nfs/dbraw/zinc/08/26/70/526082670.db2.gz AZMZVWBSSFLNTF-UHFFFAOYSA-N 1 0 296.286 2.803 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CCCO1 ZINC000050443616 527332112 /nfs/dbraw/zinc/33/21/12/527332112.db2.gz UFJORGRONUSJBS-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1cc(F)cc(OCC[NH+]2CCCCC2)c1 ZINC000157916780 527336958 /nfs/dbraw/zinc/33/69/58/527336958.db2.gz WAQZOUCAZQGQPS-UHFFFAOYSA-N 1 0 268.288 2.599 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000261963819 527349174 /nfs/dbraw/zinc/34/91/74/527349174.db2.gz PNXFUZVWDPZAGJ-NEPJUHHUSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000230143606 527351453 /nfs/dbraw/zinc/35/14/53/527351453.db2.gz DKVOIVBSZJTBLV-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316736 527355588 /nfs/dbraw/zinc/35/55/88/527355588.db2.gz AKSBDJYYPQCVCK-UONOGXRCSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCCF ZINC000361046297 527397468 /nfs/dbraw/zinc/39/74/68/527397468.db2.gz WHKLGAFEOCZGGO-ALCCZGGFSA-N 1 0 252.289 2.947 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193855703 527401179 /nfs/dbraw/zinc/40/11/79/527401179.db2.gz CETUTTJVUMTHRO-LBPRGKRZSA-N 1 0 286.335 2.698 20 5 CFBDRO CC(C)c1ccc(CNCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414913446 528100416 /nfs/dbraw/zinc/10/04/16/528100416.db2.gz ZWLSZYGBQWRXMH-CQSZACIVSA-N 1 0 291.395 2.950 20 5 CFBDRO CCN(CC)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192595457 528138770 /nfs/dbraw/zinc/13/87/70/528138770.db2.gz QMKSPXDAECRTBG-INIZCTEOSA-N 1 0 291.395 2.904 20 5 CFBDRO CCOc1cc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111045578 528325319 /nfs/dbraw/zinc/32/53/19/528325319.db2.gz VILISHISFMVBID-UHFFFAOYSA-N 1 0 295.383 2.993 20 5 CFBDRO CCCCNC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411453901 528500432 /nfs/dbraw/zinc/50/04/32/528500432.db2.gz KDXSAEUDFVKFGX-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO CCOc1ccc([C@@H](C)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423281436 528594476 /nfs/dbraw/zinc/59/44/76/528594476.db2.gz UZTXEQZBDBFRRG-DGCLKSJQSA-N 1 0 295.383 2.627 20 5 CFBDRO CCCC[C@@H](CN)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299970 528821457 /nfs/dbraw/zinc/82/14/57/528821457.db2.gz QPMDXWKUZIXPMC-OCCSQVGLSA-N 1 0 279.384 2.633 20 5 CFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176224452 528916242 /nfs/dbraw/zinc/91/62/42/528916242.db2.gz FPLXCPYULBIFMC-UHFFFAOYSA-N 1 0 280.372 2.834 20 5 CFBDRO CCC[C@@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423319360 529005656 /nfs/dbraw/zinc/00/56/56/529005656.db2.gz FCDXMHCTARLMRD-CQSZACIVSA-N 1 0 277.368 2.907 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(C)C ZINC000414527177 529184623 /nfs/dbraw/zinc/18/46/23/529184623.db2.gz MJRIVSIMHVMCOQ-CABCVRRESA-N 1 0 280.368 2.788 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000421367869 529321220 /nfs/dbraw/zinc/32/12/20/529321220.db2.gz AGSPRIBJOYNMQY-KBPBESRZSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)[NH+](CCN(C)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000355571817 535065228 /nfs/dbraw/zinc/06/52/28/535065228.db2.gz JHSXYVMQGJMZIB-UHFFFAOYSA-N 1 0 280.372 2.545 20 5 CFBDRO CC[C@@H]([NH2+]CCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268782902 535804170 /nfs/dbraw/zinc/80/41/70/535804170.db2.gz CRTULGMKFXXWNU-OAHLLOKOSA-N 1 0 288.351 2.841 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000459746781 535948112 /nfs/dbraw/zinc/94/81/12/535948112.db2.gz VADZIIWXPHEIBI-KYOSRNDESA-N 1 0 278.352 2.683 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000449101501 536177733 /nfs/dbraw/zinc/17/77/33/536177733.db2.gz FMTZWWCZJOEBHV-OLZOCXBDSA-N 1 0 294.351 2.651 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449778669 536755135 /nfs/dbraw/zinc/75/51/35/536755135.db2.gz SIZUDJTZJHUEHV-CYBMUJFWSA-N 1 0 278.352 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000731678414 574126858 /nfs/dbraw/zinc/12/68/58/574126858.db2.gz MAKURTXBFHHMBZ-BBOMDTFKSA-N 1 0 298.342 2.931 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000733300109 574219648 /nfs/dbraw/zinc/21/96/48/574219648.db2.gz MTKGGDGRJHQNSA-LBPRGKRZSA-N 1 0 263.341 2.562 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000740860570 574270234 /nfs/dbraw/zinc/27/02/34/574270234.db2.gz QTKSPDOYVIWOHH-MNOVXSKESA-N 1 0 274.324 2.632 20 5 CFBDRO CCC[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000734835491 574305132 /nfs/dbraw/zinc/30/51/32/574305132.db2.gz ZBIMXVNAGLAHSA-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO CC[N@@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000742207137 574319093 /nfs/dbraw/zinc/31/90/93/574319093.db2.gz QZRJCOPCAIBAOS-HIFRSBDPSA-N 1 0 291.395 2.723 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056162 574322876 /nfs/dbraw/zinc/32/28/76/574322876.db2.gz YBEKQHVELCOXRO-OCCSQVGLSA-N 1 0 264.325 2.503 20 5 CFBDRO CCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000804795770 617884406 /nfs/dbraw/zinc/88/44/06/617884406.db2.gz YBWKCZIBDPDMSC-SNVBAGLBSA-N 1 0 283.759 2.779 20 5 CFBDRO CCC(C)(C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892004642 617910229 /nfs/dbraw/zinc/91/02/29/617910229.db2.gz KDRHZDIWDZNJAT-UHFFFAOYSA-N 1 0 282.340 2.929 20 5 CFBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000804855250 618055684 /nfs/dbraw/zinc/05/56/84/618055684.db2.gz PFRMUICLHJMLKT-VIFPVBQESA-N 1 0 271.748 2.919 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933877146 617804086 /nfs/dbraw/zinc/80/40/86/617804086.db2.gz QKNPGPCYVLYTNV-CYBMUJFWSA-N 1 0 291.351 2.571 20 5 CFBDRO Cc1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000804813219 617895390 /nfs/dbraw/zinc/89/53/90/617895390.db2.gz PSOCSVXFKLYIGC-KGLIPLIRSA-N 1 0 289.379 2.966 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892066273 617934289 /nfs/dbraw/zinc/93/42/89/617934289.db2.gz TUYKISXJSJGUBM-GHMZBOCLSA-N 1 0 294.351 2.787 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000892101940 617949411 /nfs/dbraw/zinc/94/94/11/617949411.db2.gz OYEFVHXQSJBENV-UWVGGRQHSA-N 1 0 280.324 2.539 20 5 CFBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000235650935 617974103 /nfs/dbraw/zinc/97/41/03/617974103.db2.gz YPDJNTNLNCADKN-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000892209630 618000210 /nfs/dbraw/zinc/00/02/10/618000210.db2.gz CJNLFJQEGYJTPE-NXEZZACHSA-N 1 0 280.324 2.539 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000807968020 618003788 /nfs/dbraw/zinc/00/37/88/618003788.db2.gz GOYGSKJFMNZMEY-LBPRGKRZSA-N 1 0 291.351 2.551 20 5 CFBDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000050371318 618116863 /nfs/dbraw/zinc/11/68/63/618116863.db2.gz LGLPLSYYLSAEMG-OCCSQVGLSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000050371325 618117120 /nfs/dbraw/zinc/11/71/20/618117120.db2.gz LGLPLSYYLSAEMG-GXTWGEPZSA-N 1 0 264.325 2.560 20 5 CFBDRO CSCCCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000235141551 618130098 /nfs/dbraw/zinc/13/00/98/618130098.db2.gz CEXWFVGUWMOULO-CQSZACIVSA-N 1 0 298.408 2.751 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219163813 618166193 /nfs/dbraw/zinc/16/61/93/618166193.db2.gz KMUPQIUWVBWBOS-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO CSCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000309926961 618254447 /nfs/dbraw/zinc/25/44/47/618254447.db2.gz VVOBPVKRTDGCQP-UHFFFAOYSA-N 1 0 260.746 2.701 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892445907 618281349 /nfs/dbraw/zinc/28/13/49/618281349.db2.gz CXPYFYDQCASUBD-CMPLNLGQSA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000223282500 618303860 /nfs/dbraw/zinc/30/38/60/618303860.db2.gz PUCAMVUYTDOXRM-MISXGVKJSA-N 1 0 266.341 2.652 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000895155251 618401863 /nfs/dbraw/zinc/40/18/63/618401863.db2.gz GHIDPZOIENSCEP-UHFFFAOYSA-N 1 0 292.335 2.731 20 5 CFBDRO CCC(CC)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892506202 618415407 /nfs/dbraw/zinc/41/54/07/618415407.db2.gz XSQCBVHZXWBPDI-UHFFFAOYSA-N 1 0 282.340 2.835 20 5 CFBDRO CC[C@](C)([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901394531 620804331 /nfs/dbraw/zinc/80/43/31/620804331.db2.gz IVRCIXXJNUFWSW-ZDUSSCGKSA-N 1 0 261.281 2.834 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000894175236 618427437 /nfs/dbraw/zinc/42/74/37/618427437.db2.gz ZLQPWMZUPURXID-WDEREUQCSA-N 1 0 294.351 2.835 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cc(C[NH+]2CCCC2)on1 ZINC000901395997 620804912 /nfs/dbraw/zinc/80/49/12/620804912.db2.gz OOINVEXGUCKKKU-UHFFFAOYSA-N 1 0 273.292 2.846 20 5 CFBDRO CC[C@]1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091734 618489058 /nfs/dbraw/zinc/48/90/58/618489058.db2.gz AGWHBKDIJQDKNH-HUUCEWRRSA-N 1 0 278.352 2.750 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895303369 618524096 /nfs/dbraw/zinc/52/40/96/618524096.db2.gz GDHUIDRGPJLDAM-FTXNUJCXSA-N 1 0 289.335 2.753 20 5 CFBDRO COC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230690006 618720511 /nfs/dbraw/zinc/72/05/11/618720511.db2.gz KGPKBLZEVOGDHR-UHFFFAOYSA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833636 618729854 /nfs/dbraw/zinc/72/98/54/618729854.db2.gz AKANMBVZJFONRA-BLFANLJRSA-N 1 0 264.325 2.669 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832337334 625288957 /nfs/dbraw/zinc/28/89/57/625288957.db2.gz SVEUGDNCZZDMHB-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO CCON1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000925695727 618945224 /nfs/dbraw/zinc/94/52/24/618945224.db2.gz WHXLXDJDISXTHQ-GFCCVEGCSA-N 1 0 293.367 2.661 20 5 CFBDRO CCOC(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000093446875 619023260 /nfs/dbraw/zinc/02/32/60/619023260.db2.gz OIACNZZQNMOFPS-LBPRGKRZSA-N 1 0 296.367 2.953 20 5 CFBDRO Nc1cc[nH+]c(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000925765734 619076636 /nfs/dbraw/zinc/07/66/36/619076636.db2.gz DDERBIFPGNAWKQ-INIZCTEOSA-N 1 0 298.346 2.739 20 5 CFBDRO Cc1ccc([C@H](C)NCc2cc(N)cc[nH+]2)cc1[N+](=O)[O-] ZINC000925772812 619088333 /nfs/dbraw/zinc/08/83/33/619088333.db2.gz WTPPTMVDMCLYBG-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO Cc1ccc(C[NH2+]CCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000894798344 619469058 /nfs/dbraw/zinc/46/90/58/619469058.db2.gz BZLIJCRXNIUMEY-HNNXBMFYSA-N 1 0 294.351 2.536 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000894924755 619513975 /nfs/dbraw/zinc/51/39/75/619513975.db2.gz AEPQUHAEPKFPMF-SNVBAGLBSA-N 1 0 294.351 2.929 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262087850 619533627 /nfs/dbraw/zinc/53/36/27/619533627.db2.gz UPAIHTKCTAFNSA-MFKMUULPSA-N 1 0 297.786 2.950 20 5 CFBDRO CCC[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057655 619537747 /nfs/dbraw/zinc/53/77/47/619537747.db2.gz GZIVYZSPPBAFNY-SNVBAGLBSA-N 1 0 269.370 2.543 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895736317 619597446 /nfs/dbraw/zinc/59/74/46/619597446.db2.gz KUKUCAIMEBWSTN-PWSUYJOCSA-N 1 0 286.335 2.648 20 5 CFBDRO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895737491 619597876 /nfs/dbraw/zinc/59/78/76/619597876.db2.gz WMXOHBXPFFNSRB-CMPLNLGQSA-N 1 0 291.351 2.692 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780356 619609031 /nfs/dbraw/zinc/60/90/31/619609031.db2.gz IFUXHAGDLURLNK-VDKLAZJHSA-N 1 0 290.388 2.903 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC2CC=CC2)c1[N+](=O)[O-] ZINC000896864545 619850204 /nfs/dbraw/zinc/85/02/04/619850204.db2.gz HVAKMOGSJLTNAU-UHFFFAOYSA-N 1 0 292.335 2.755 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(Cl)c1 ZINC000415134789 620069052 /nfs/dbraw/zinc/06/90/52/620069052.db2.gz DZYSNTOJKNJMIS-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000740861701 620152279 /nfs/dbraw/zinc/15/22/79/620152279.db2.gz XYUYGKCMWSJSHN-MNOVXSKESA-N 1 0 274.324 2.632 20 5 CFBDRO C[C@@H](C[NH2+]C[C@@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000897464369 620176719 /nfs/dbraw/zinc/17/67/19/620176719.db2.gz LWFHMYKKJQOPKI-STQMWFEESA-N 1 0 276.336 2.981 20 5 CFBDRO C[C@H](C[NH2+][C@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897460153 620176734 /nfs/dbraw/zinc/17/67/34/620176734.db2.gz FHXIZYYVRGHDQT-VXGBXAGGSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@@H](C[NH2+]CCC[C@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000897461106 620176826 /nfs/dbraw/zinc/17/68/26/620176826.db2.gz LGIBTGQNWNECEM-STQMWFEESA-N 1 0 278.352 2.857 20 5 CFBDRO CCn1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897469499 620178409 /nfs/dbraw/zinc/17/84/09/620178409.db2.gz LJGPXMCQGRUSIM-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000897469451 620178418 /nfs/dbraw/zinc/17/84/18/620178418.db2.gz KEIQHYCUBHBAEW-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c(F)c1 ZINC000897510482 620198429 /nfs/dbraw/zinc/19/84/29/620198429.db2.gz UQBWJGHQHOSGCW-ZFWWWQNUSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539548 620227396 /nfs/dbraw/zinc/22/73/96/620227396.db2.gz HSCQUCNEBSMAKJ-IUODEOHRSA-N 1 0 278.352 2.626 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000925308096 620241856 /nfs/dbraw/zinc/24/18/56/620241856.db2.gz BEBDIYFNAWWHOL-GOEBONIOSA-N 1 0 290.363 2.890 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000897683583 620271372 /nfs/dbraw/zinc/27/13/72/620271372.db2.gz FDZLNMQYDGKCBZ-ABAIWWIYSA-N 1 0 278.352 2.531 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1 ZINC000898065630 620330453 /nfs/dbraw/zinc/33/04/53/620330453.db2.gz LLHLPEINAQETLF-DZGCQCFKSA-N 1 0 288.347 2.644 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C1CC1 ZINC000898204419 620344534 /nfs/dbraw/zinc/34/45/34/620344534.db2.gz UDIMMTNLHBTALE-CKDIWJPDSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2cccnc2C)cc1[N+](=O)[O-] ZINC000898257010 620365330 /nfs/dbraw/zinc/36/53/30/620365330.db2.gz LVDZYXQNMLLYCS-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO CC[N@H+](CC(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000193395884 620380218 /nfs/dbraw/zinc/38/02/18/620380218.db2.gz ZHMYNJKUKIXATO-UHFFFAOYSA-N 1 0 276.340 2.880 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C/Cl ZINC000898432047 620463149 /nfs/dbraw/zinc/46/31/49/620463149.db2.gz DXOLLZDPGNIUNL-BPQDVTRRSA-N 1 0 297.742 2.654 20 5 CFBDRO C[C@@H](NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000899270995 620539154 /nfs/dbraw/zinc/53/91/54/620539154.db2.gz RSUMXSSLXQRENC-MRVPVSSYSA-N 1 0 296.758 2.661 20 5 CFBDRO CCC[C@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414473 621084407 /nfs/dbraw/zinc/08/44/07/621084407.db2.gz BFTCSYSSBGDBPW-ZDUSSCGKSA-N 1 0 263.341 2.517 20 5 CFBDRO CCC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902473087 621085527 /nfs/dbraw/zinc/08/55/27/621085527.db2.gz QKTKUPSSTOXYTP-SYAUCNOPSA-N 1 0 289.379 2.919 20 5 CFBDRO Cc1c([C@@H](C)N[C@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000902448997 621090905 /nfs/dbraw/zinc/09/09/05/621090905.db2.gz KLNUOGDBYGYBJJ-RISCZKNCSA-N 1 0 277.368 2.552 20 5 CFBDRO CCC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902467824 621099937 /nfs/dbraw/zinc/09/99/37/621099937.db2.gz QKTKUPSSTOXYTP-ARLBYUKCSA-N 1 0 289.379 2.919 20 5 CFBDRO C[C@H](NC[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902486819 621111929 /nfs/dbraw/zinc/11/19/29/621111929.db2.gz HGRXUPVPPSZYTF-GXTWGEPZSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902486821 621111932 /nfs/dbraw/zinc/11/19/32/621111932.db2.gz HGRXUPVPPSZYTF-JSGCOSHPSA-N 1 0 277.368 2.778 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC2CC2)cc([N+](=O)[O-])c1 ZINC000903067407 621239413 /nfs/dbraw/zinc/23/94/13/621239413.db2.gz PLDKMHXQOOGFNK-SECBINFHSA-N 1 0 250.298 2.664 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903080258 621245197 /nfs/dbraw/zinc/24/51/97/621245197.db2.gz PWKZQXXUTVIYPN-JBLDHEPKSA-N 1 0 264.325 2.910 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903088643 621248247 /nfs/dbraw/zinc/24/82/47/621248247.db2.gz KTTQRORMSLSNEJ-GHMZBOCLSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903103073 621253724 /nfs/dbraw/zinc/25/37/24/621253724.db2.gz DIKQFJJIQFEJLB-SRVKXCTJSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](CCO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903103045 621253993 /nfs/dbraw/zinc/25/39/93/621253993.db2.gz CZSBHIYWTJJRHK-NHYWBVRUSA-N 1 0 296.367 2.661 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000903126530 621262492 /nfs/dbraw/zinc/26/24/92/621262492.db2.gz DACBKNPBRKETGP-MEBBXXQBSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2OC)cc([N+](=O)[O-])c1 ZINC000903178970 621276314 /nfs/dbraw/zinc/27/63/14/621276314.db2.gz KSFVKBKDNXMXRJ-COLVAYQJSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903170699 621279823 /nfs/dbraw/zinc/27/98/23/621279823.db2.gz ATHINVIRXWMQNO-MXWKQRLJSA-N 1 0 282.340 2.677 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903219337 621291947 /nfs/dbraw/zinc/29/19/47/621291947.db2.gz IBSHGKMXNPMHTA-GMXVVIOVSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000903246404 621294909 /nfs/dbraw/zinc/29/49/09/621294909.db2.gz UQUCKMNJBLNVOY-NWDGAFQWSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903264465 621304917 /nfs/dbraw/zinc/30/49/17/621304917.db2.gz OYOGIQJDSHLHBU-KMUNFCNLSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903301366 621315618 /nfs/dbraw/zinc/31/56/18/621315618.db2.gz PWUPKBHRNDMFKS-UMVBOHGHSA-N 1 0 291.395 2.598 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903287906 621318938 /nfs/dbraw/zinc/31/89/38/621318938.db2.gz HUGYHNDOUIDKSG-UKRFAEJPSA-N 1 0 288.347 2.811 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000903288339 621319175 /nfs/dbraw/zinc/31/91/75/621319175.db2.gz YANPDNONDNKDBL-QWHCGFSZSA-N 1 0 288.351 2.921 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cccc1[N+](=O)[O-] ZINC000903287553 621319274 /nfs/dbraw/zinc/31/92/74/621319274.db2.gz DMJXLYPLZDHNLV-KDPNGRSJSA-N 1 0 288.347 2.730 20 5 CFBDRO C[C@H]([NH2+]C1CC(CCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903331276 621341008 /nfs/dbraw/zinc/34/10/08/621341008.db2.gz DCMHLVFTJVRART-WHXUTIOJSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903331274 621341330 /nfs/dbraw/zinc/34/13/30/621341330.db2.gz DCMHLVFTJVRART-KPPDAEKUSA-N 1 0 282.315 2.546 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000903407296 621362786 /nfs/dbraw/zinc/36/27/86/621362786.db2.gz NORTUTGTDXJRSE-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000903470249 621389309 /nfs/dbraw/zinc/38/93/09/621389309.db2.gz IVOUFQABXIFIPS-RISCZKNCSA-N 1 0 275.352 2.530 20 5 CFBDRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903854483 621456301 /nfs/dbraw/zinc/45/63/01/621456301.db2.gz JIGLLLFMDWZIOY-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832779062 625512388 /nfs/dbraw/zinc/51/23/88/625512388.db2.gz TVFMYMKAXILDIG-CQSZACIVSA-N 1 0 295.358 2.648 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000905257361 621728843 /nfs/dbraw/zinc/72/88/43/621728843.db2.gz UMVQBKQXTWRDFA-AWEZNQCLSA-N 1 0 298.770 2.674 20 5 CFBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]CC[N+](=O)[O-])c2ccccc21 ZINC000905240813 621732820 /nfs/dbraw/zinc/73/28/20/621732820.db2.gz AFQGSHDWOIUFGL-WFASDCNBSA-N 1 0 262.353 2.780 20 5 CFBDRO CC(C)C[C@@H](CNCC[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000905294867 621733663 /nfs/dbraw/zinc/73/36/63/621733663.db2.gz LXEHFUQBLGKLNJ-HOCLYGCPSA-N 1 0 293.411 2.618 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000905286877 621738052 /nfs/dbraw/zinc/73/80/52/621738052.db2.gz SNFDOUMZSSCNCB-WCQYABFASA-N 1 0 268.744 2.842 20 5 CFBDRO CCCCN(C)c1ccc(NCC[N+](=O)[O-])cc1 ZINC000905318735 621740011 /nfs/dbraw/zinc/74/00/11/621740011.db2.gz JEGDOECUDRCNBT-UHFFFAOYSA-N 1 0 251.330 2.612 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@]1(Cc2ccccc2)C=CCCC1 ZINC000905401896 621759472 /nfs/dbraw/zinc/75/94/72/621759472.db2.gz XMVAYNHAJZKBLD-MRXNPFEDSA-N 1 0 274.364 2.822 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(CC3CC3)CC2)cc1 ZINC000905422458 621765350 /nfs/dbraw/zinc/76/53/50/621765350.db2.gz HPFKYPUSMSRSNW-HNNXBMFYSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000905663224 621811712 /nfs/dbraw/zinc/81/17/12/621811712.db2.gz CMIRDYDVOFKXLK-HUUCEWRRSA-N 1 0 262.353 2.969 20 5 CFBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000905641757 621816484 /nfs/dbraw/zinc/81/64/84/621816484.db2.gz VPCNAEPGMCYUDD-CQSZACIVSA-N 1 0 278.352 2.654 20 5 CFBDRO [NH3+][C@@H]1CC[C@H](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000905733798 621839513 /nfs/dbraw/zinc/83/95/13/621839513.db2.gz MHBUPFAEPSVCQU-SMDDNHRTSA-N 1 0 286.335 2.586 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CO1 ZINC000924853463 622828125 /nfs/dbraw/zinc/82/81/25/622828125.db2.gz NULOXYNVBJWIBQ-NUYPLMSZSA-N 1 0 276.336 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000151239440 622872276 /nfs/dbraw/zinc/87/22/76/622872276.db2.gz ADXKXSVMWNRPOD-TXEJJXNPSA-N 1 0 286.335 2.634 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000164246792 622942942 /nfs/dbraw/zinc/94/29/42/622942942.db2.gz QCMLGABFJZSRHY-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000225511814 623043092 /nfs/dbraw/zinc/04/30/92/623043092.db2.gz VDCWFWGLAZUZLN-VXGBXAGGSA-N 1 0 266.366 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061981212 623244294 /nfs/dbraw/zinc/24/42/94/623244294.db2.gz YIUXVYQVRFMLBO-JTQLQIEISA-N 1 0 281.743 2.897 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000230669573 623289583 /nfs/dbraw/zinc/28/95/83/623289583.db2.gz NWAYSAORBFTGTP-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000230696515 623292848 /nfs/dbraw/zinc/29/28/48/623292848.db2.gz FXOKYCZXBSSQSY-RYUDHWBXSA-N 1 0 296.392 2.977 20 5 CFBDRO C[N@H+](CCCCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000173471424 623350725 /nfs/dbraw/zinc/35/07/25/623350725.db2.gz JSGULLLJZWNOBU-UHFFFAOYSA-N 1 0 280.368 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000231983942 623378964 /nfs/dbraw/zinc/37/89/64/623378964.db2.gz ACBNCEXMMXSOBO-CQSZACIVSA-N 1 0 292.360 2.522 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174308917 623410176 /nfs/dbraw/zinc/41/01/76/623410176.db2.gz NVPQSJQXCWXOES-AWEZNQCLSA-N 1 0 295.358 2.650 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825091160 623627351 /nfs/dbraw/zinc/62/73/51/623627351.db2.gz VIDPPQFTIZMFIC-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313523029 623693407 /nfs/dbraw/zinc/69/34/07/623693407.db2.gz MAAWHOMQYPWZCM-ZWNOBZJWSA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000929820306 623822246 /nfs/dbraw/zinc/82/22/46/623822246.db2.gz HNPTUXXVLWARMI-HOTGVXAUSA-N 1 0 292.379 2.631 20 5 CFBDRO O=[N+]([O-])CCN1CCC[C@H]1c1ccccc1Br ZINC000929821126 623822792 /nfs/dbraw/zinc/82/27/92/623822792.db2.gz IZVQKRHOUJFBBN-LBPRGKRZSA-N 1 0 299.168 2.863 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914433160 623847280 /nfs/dbraw/zinc/84/72/80/623847280.db2.gz LAWNDWHKPWURAQ-QWHCGFSZSA-N 1 0 296.754 2.763 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914432820 623847966 /nfs/dbraw/zinc/84/79/66/623847966.db2.gz FLOMZUDUMMDCCE-OGCZOTBESA-N 1 0 288.347 2.623 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827006918 623923122 /nfs/dbraw/zinc/92/31/22/623923122.db2.gz XQWRONARDYVMOR-XYPYZODXSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1Cl ZINC000827366270 623994021 /nfs/dbraw/zinc/99/40/21/623994021.db2.gz UGOSXSPGGWZLBH-CHWSQXEVSA-N 1 0 296.754 2.641 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(C)CO ZINC000827698727 624068928 /nfs/dbraw/zinc/06/89/28/624068928.db2.gz BNCCJTOSGRBCDT-QMTHXVAHSA-N 1 0 298.770 2.699 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3=CCCC3)CC2)cc1 ZINC000827712546 624073457 /nfs/dbraw/zinc/07/34/57/624073457.db2.gz JJRQOFYWQDPZDO-UHFFFAOYSA-N 1 0 287.363 2.827 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000324515959 624153648 /nfs/dbraw/zinc/15/36/48/624153648.db2.gz VEVOAPBJVMOZMY-LBPRGKRZSA-N 1 0 279.296 2.781 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000829017040 624355683 /nfs/dbraw/zinc/35/56/83/624355683.db2.gz REYNLOYNYAZRLL-RCBQFDQVSA-N 1 0 290.363 2.893 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000829243473 624406770 /nfs/dbraw/zinc/40/67/70/624406770.db2.gz DSQOTAFNTCNQCW-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085987366 626221283 /nfs/dbraw/zinc/22/12/83/626221283.db2.gz WILQMFJHVAEEJZ-SMDDNHRTSA-N 1 0 298.770 2.889 20 5 CFBDRO COC(OC)[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922312645 626266764 /nfs/dbraw/zinc/26/67/64/626266764.db2.gz FOOSPPFVVSOIRJ-KGTBHZDVSA-N 1 0 294.351 2.595 20 5 CFBDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000922537196 626304592 /nfs/dbraw/zinc/30/45/92/626304592.db2.gz APSBBEROQSUDJK-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO Cc1c(C[NH2+]C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC000922696699 626344042 /nfs/dbraw/zinc/34/40/42/626344042.db2.gz PFDJZEHGTUVIEG-HZPDHXFCSA-N 1 0 290.363 2.952 20 5 CFBDRO COC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000922949172 626431282 /nfs/dbraw/zinc/43/12/82/626431282.db2.gz CCFOFIQGABRCDD-AWEZNQCLSA-N 1 0 280.368 2.911 20 5 CFBDRO Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)nc(N)[nH+]1 ZINC000756973000 626480504 /nfs/dbraw/zinc/48/05/04/626480504.db2.gz HZQPBVZILUITOB-UHFFFAOYSA-N 1 0 293.714 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000839141732 626528555 /nfs/dbraw/zinc/52/85/55/626528555.db2.gz XRPNQLZRTBWNSN-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000839190518 626530591 /nfs/dbraw/zinc/53/05/91/626530591.db2.gz HFPWAQFPXYRJQE-ZIAGYGMSSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000839195555 626531784 /nfs/dbraw/zinc/53/17/84/626531784.db2.gz CMADKKUPEPZLDY-ICCXJUOJSA-N 1 0 291.307 2.781 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(F)n1 ZINC000757855753 626565533 /nfs/dbraw/zinc/56/55/33/626565533.db2.gz DHQKTFWMFVFNEZ-UHFFFAOYSA-N 1 0 275.283 2.727 20 5 CFBDRO Cc1noc(CN(C)CCc2ccccc2F)c1[N+](=O)[O-] ZINC000851766773 634515967 /nfs/dbraw/zinc/51/59/67/634515967.db2.gz MQKABSFOKCEICL-UHFFFAOYSA-N 1 0 293.298 2.705 20 5 CFBDRO CN(CC[NH+]1CCCC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000760831691 626775830 /nfs/dbraw/zinc/77/58/30/626775830.db2.gz FLMQKCTULOWTKA-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293137 626821891 /nfs/dbraw/zinc/82/18/91/626821891.db2.gz RMBUOQKQFSBICA-QWRGUYRKSA-N 1 0 288.351 2.941 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1Cl ZINC000761523052 626842229 /nfs/dbraw/zinc/84/22/29/626842229.db2.gz QFHWXEYUAXWKRE-NSHDSACASA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521093 626842411 /nfs/dbraw/zinc/84/24/11/626842411.db2.gz JGNJINMNHRNDGA-WPRPVWTQSA-N 1 0 254.717 2.994 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@H](C)CC2(C)C)c1[N+](=O)[O-] ZINC000851799638 634536974 /nfs/dbraw/zinc/53/69/74/634536974.db2.gz STSWUEVMRDSNAS-MRVPVSSYSA-N 1 0 253.302 2.512 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000763269309 626974871 /nfs/dbraw/zinc/97/48/71/626974871.db2.gz YNXLGZXWCCPEFN-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000767613417 627264491 /nfs/dbraw/zinc/26/44/91/627264491.db2.gz SNVXEEBSPLQLGM-UHFFFAOYSA-N 1 0 288.347 2.928 20 5 CFBDRO Cc1ccc(CN2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000769234147 627414368 /nfs/dbraw/zinc/41/43/68/627414368.db2.gz YEWKQUFARZJREY-OAHLLOKOSA-N 1 0 291.395 2.866 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000851905179 634582644 /nfs/dbraw/zinc/58/26/44/634582644.db2.gz BBFBPAINBHFFJN-RYUDHWBXSA-N 1 0 294.351 2.787 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000851905177 634582758 /nfs/dbraw/zinc/58/27/58/634582758.db2.gz BBFBPAINBHFFJN-NWDGAFQWSA-N 1 0 294.351 2.787 20 5 CFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000774535083 627935917 /nfs/dbraw/zinc/93/59/17/627935917.db2.gz YLFOEQRQLXDBFZ-CQSZACIVSA-N 1 0 289.379 2.763 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(F)n1 ZINC000852018522 634628728 /nfs/dbraw/zinc/62/87/28/634628728.db2.gz NXXPUYCOPQIBBA-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580600 628160463 /nfs/dbraw/zinc/16/04/63/628160463.db2.gz WVXBYBAHNOWVII-SWLSCSKDSA-N 1 0 278.352 2.750 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000776578664 628160820 /nfs/dbraw/zinc/16/08/20/628160820.db2.gz HMBDZHKFHSCDFL-HNNXBMFYSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[C@]1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585962 628161291 /nfs/dbraw/zinc/16/12/91/628161291.db2.gz FOBIKTCNIBNOSL-HUUCEWRRSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584350 628161303 /nfs/dbraw/zinc/16/13/03/628161303.db2.gz MTBZRZAWYPHFMB-IUODEOHRSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000776582518 628161533 /nfs/dbraw/zinc/16/15/33/628161533.db2.gz VAPFYVIVXAZYCE-CVEARBPZSA-N 1 0 290.363 2.893 20 5 CFBDRO CSCC[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592321 628162906 /nfs/dbraw/zinc/16/29/06/628162906.db2.gz KXOYGHNWZRIJBY-RISCZKNCSA-N 1 0 298.408 2.702 20 5 CFBDRO Cc1nn(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000779858533 628414849 /nfs/dbraw/zinc/41/48/49/628414849.db2.gz IFRCHABGKUKFHT-VTXSZYRJSA-N 1 0 290.367 2.568 20 5 CFBDRO CC[C@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783636087 628729123 /nfs/dbraw/zinc/72/91/23/628729123.db2.gz MKTUTBPWDOYPLO-NSHDSACASA-N 1 0 286.759 2.889 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000784034286 628767120 /nfs/dbraw/zinc/76/71/20/628767120.db2.gz VHVMJQAYVKDLAL-GFCCVEGCSA-N 1 0 280.372 2.734 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290431 634712038 /nfs/dbraw/zinc/71/20/38/634712038.db2.gz IAEUIDBDNUFBBM-BXUZGUMPSA-N 1 0 266.341 2.749 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000791053738 629283504 /nfs/dbraw/zinc/28/35/04/629283504.db2.gz FTGZYVKAHVTZES-UHFFFAOYSA-N 1 0 254.717 2.586 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCCCC1 ZINC000796110637 629877624 /nfs/dbraw/zinc/87/76/24/629877624.db2.gz AUCCISNMSCWCKW-UHFFFAOYSA-N 1 0 292.379 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000798963486 630265843 /nfs/dbraw/zinc/26/58/43/630265843.db2.gz FQWNOFQYSJIAGJ-CQSZACIVSA-N 1 0 283.331 2.979 20 5 CFBDRO CC(C)CC1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000852683464 634806432 /nfs/dbraw/zinc/80/64/32/634806432.db2.gz XMSGRMVBMMFPTJ-AWEZNQCLSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523410 630453140 /nfs/dbraw/zinc/45/31/40/630453140.db2.gz GXWDANFNDUXEAG-CQSZACIVSA-N 1 0 298.314 2.555 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801523213 630453687 /nfs/dbraw/zinc/45/36/87/630453687.db2.gz LGNKSXUSDZKZPD-CYBMUJFWSA-N 1 0 295.358 2.696 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804423508 630680645 /nfs/dbraw/zinc/68/06/45/630680645.db2.gz RAXNVABZYVNULR-SNVBAGLBSA-N 1 0 296.327 2.645 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000804520022 630689303 /nfs/dbraw/zinc/68/93/03/630689303.db2.gz BAVJKLUYMYWVCT-JTQLQIEISA-N 1 0 267.304 2.630 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+](C)C(C)C ZINC000807958033 630926156 /nfs/dbraw/zinc/92/61/56/630926156.db2.gz HTEKJZNEPPNTRA-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000840977665 631292407 /nfs/dbraw/zinc/29/24/07/631292407.db2.gz IXIKXTOFWUMYML-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000841100163 631339592 /nfs/dbraw/zinc/33/95/92/631339592.db2.gz VZRITOOYAVLVRL-PWSUYJOCSA-N 1 0 297.786 2.665 20 5 CFBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811515775 631576049 /nfs/dbraw/zinc/57/60/49/631576049.db2.gz HLCIMACOHBCKSA-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(C)=O)C(C)C ZINC000811799589 631623770 /nfs/dbraw/zinc/62/37/70/631623770.db2.gz XRHDDDKYOHOHDW-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000811869416 631634703 /nfs/dbraw/zinc/63/47/03/631634703.db2.gz NHQOBHCADDAGGX-NSHDSACASA-N 1 0 280.372 2.709 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476147 631640456 /nfs/dbraw/zinc/64/04/56/631640456.db2.gz HWAQVJSMEPUPJU-ISTVAULSSA-N 1 0 297.786 2.724 20 5 CFBDRO COCC1(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000842890787 631774598 /nfs/dbraw/zinc/77/45/98/631774598.db2.gz MALNIMOHFOWYLM-NSHDSACASA-N 1 0 293.367 2.644 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842915416 631781541 /nfs/dbraw/zinc/78/15/41/631781541.db2.gz GRMAJONDFGWCIH-GMXVVIOVSA-N 1 0 295.383 2.625 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC23CCCC3)c1 ZINC000844277142 632152448 /nfs/dbraw/zinc/15/24/48/632152448.db2.gz ZLWANPPIRKGXKE-AWEZNQCLSA-N 1 0 276.336 2.647 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844374575 632184474 /nfs/dbraw/zinc/18/44/74/632184474.db2.gz IAUNQNZOLXNUEC-MFKMUULPSA-N 1 0 284.331 2.621 20 5 CFBDRO CC[N@H+](CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000815573796 632289828 /nfs/dbraw/zinc/28/98/28/632289828.db2.gz ULOLDADFSKBFRD-LBPRGKRZSA-N 1 0 294.399 2.558 20 5 CFBDRO Cc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000105909028 632434919 /nfs/dbraw/zinc/43/49/19/632434919.db2.gz FAQHJHMNVUIPNC-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817299398 632599058 /nfs/dbraw/zinc/59/90/58/632599058.db2.gz ZFAZPJSPFIEVFC-GFCCVEGCSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@H]1CC[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906725 632728495 /nfs/dbraw/zinc/72/84/95/632728495.db2.gz DFXFJYGZDKXFRD-IINYFYTJSA-N 1 0 297.786 2.726 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000818979433 632920787 /nfs/dbraw/zinc/92/07/87/632920787.db2.gz MCAGCZYASUTCDD-DOMZBBRYSA-N 1 0 276.336 2.574 20 5 CFBDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819200095 633017439 /nfs/dbraw/zinc/01/74/39/633017439.db2.gz JMSTWQDHUKZZCN-JSGCOSHPSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCCS2)c1 ZINC000819222739 633026223 /nfs/dbraw/zinc/02/62/23/633026223.db2.gz WVKHZTPWVWYINH-ZIAGYGMSSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000819266621 633044814 /nfs/dbraw/zinc/04/48/14/633044814.db2.gz ZMVNEZVZQLFFPK-OAHLLOKOSA-N 1 0 290.363 2.941 20 5 CFBDRO C[C@@H](COC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847958252 633164777 /nfs/dbraw/zinc/16/47/77/633164777.db2.gz GHWBFLAIMVTTQA-LBPRGKRZSA-N 1 0 292.335 2.626 20 5 CFBDRO C[C@H](COC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000847958635 633165647 /nfs/dbraw/zinc/16/56/47/633165647.db2.gz LRQOIKCZWAJJJJ-GFCCVEGCSA-N 1 0 292.335 2.626 20 5 CFBDRO CN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848474403 633263349 /nfs/dbraw/zinc/26/33/49/633263349.db2.gz BCJJGMRUIGCPGX-UHFFFAOYSA-N 1 0 272.308 2.510 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000848507083 633268309 /nfs/dbraw/zinc/26/83/09/633268309.db2.gz UCDKKKFEPDEQGB-ZDUSSCGKSA-N 1 0 278.356 2.794 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1ccccc1 ZINC000848514305 633270043 /nfs/dbraw/zinc/27/00/43/633270043.db2.gz LYANNEWAGRIWTR-NVXWUHKLSA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOC1CCC1 ZINC000848539840 633283095 /nfs/dbraw/zinc/28/30/95/633283095.db2.gz JJEKIGJENJRGBF-AWEZNQCLSA-N 1 0 276.336 2.741 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000848785625 633343630 /nfs/dbraw/zinc/34/36/30/633343630.db2.gz NMKRIOBZRGYUEJ-CHWSQXEVSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523344 634031930 /nfs/dbraw/zinc/03/19/30/634031930.db2.gz GSEHITSBGDLDKN-SMDDNHRTSA-N 1 0 288.347 2.883 20 5 CFBDRO C[C@H]([NH2+]CCc1ccoc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850532540 634039227 /nfs/dbraw/zinc/03/92/27/634039227.db2.gz VOMDAJHVZVGIPW-JTQLQIEISA-N 1 0 275.308 2.663 20 5 CFBDRO CC(C)[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[NH3+] ZINC000109504620 634069703 /nfs/dbraw/zinc/06/97/03/634069703.db2.gz KBUAPIVXPKGCKF-CABZTGNLSA-N 1 0 290.323 2.732 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000111165619 634936682 /nfs/dbraw/zinc/93/66/82/634936682.db2.gz KSGIZDRJHBFMBQ-LLVKDONJSA-N 1 0 276.340 2.880 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000853555588 635035895 /nfs/dbraw/zinc/03/58/95/635035895.db2.gz ZBVFRTXXVQOIQT-ZDUSSCGKSA-N 1 0 278.356 2.651 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853579863 635041776 /nfs/dbraw/zinc/04/17/76/635041776.db2.gz ZYZRLDJGZLZWMU-RYUDHWBXSA-N 1 0 286.335 2.552 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853604745 635046776 /nfs/dbraw/zinc/04/67/76/635046776.db2.gz HYLROTKOFROJNU-CYBMUJFWSA-N 1 0 278.356 2.794 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000853687617 635074825 /nfs/dbraw/zinc/07/48/25/635074825.db2.gz XPKCYBZAGKPRJK-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO C[C@@H](CCNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+](C)C ZINC000853799356 635110567 /nfs/dbraw/zinc/11/05/67/635110567.db2.gz OFZGRHDNAIMXNP-VIFPVBQESA-N 1 0 294.380 2.957 20 5 CFBDRO CC[C@@H]([NH2+]C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000854136983 635225638 /nfs/dbraw/zinc/22/56/38/635225638.db2.gz KBPMJZOBZWZSHO-SNVBAGLBSA-N 1 0 276.296 2.624 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CN3C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000925490616 635837676 /nfs/dbraw/zinc/83/76/76/635837676.db2.gz BZPFGIWDCHVUCN-VHDGCEQUSA-N 1 0 289.379 2.648 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000857858025 636036716 /nfs/dbraw/zinc/03/67/16/636036716.db2.gz KFHUKVKVPVMORH-CQSZACIVSA-N 1 0 286.335 2.528 20 5 CFBDRO CCC(CC)[NH2+]CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000858608967 636307960 /nfs/dbraw/zinc/30/79/60/636307960.db2.gz NQWYLCGDHIJEAV-UHFFFAOYSA-N 1 0 299.346 2.933 20 5 CFBDRO CC(C)[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000075666380 650343651 /nfs/dbraw/zinc/34/36/51/650343651.db2.gz XBZUUENYUIHKDS-UHFFFAOYSA-N 1 0 274.324 2.775 20 5 CFBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863548591 637693559 /nfs/dbraw/zinc/69/35/59/637693559.db2.gz SSYCDIOUYFATDZ-CQSZACIVSA-N 1 0 297.786 2.678 20 5 CFBDRO Cc1ccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)cc1[N+](=O)[O-] ZINC000863719042 637757457 /nfs/dbraw/zinc/75/74/57/637757457.db2.gz VOUWTGZQVUXNPE-IRXDYDNUSA-N 1 0 298.342 2.966 20 5 CFBDRO CCc1nocc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865788110 638574198 /nfs/dbraw/zinc/57/41/98/638574198.db2.gz ZFCQDKBDEDBBKI-UHFFFAOYSA-N 1 0 275.308 2.743 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000865788140 638574701 /nfs/dbraw/zinc/57/47/01/638574701.db2.gz ZTPQYBZCUNZONV-AWEZNQCLSA-N 1 0 291.395 2.866 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000865925288 638659178 /nfs/dbraw/zinc/65/91/78/638659178.db2.gz IFEYICKEEQCNBY-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)CCC1(C)C ZINC000866114669 638744249 /nfs/dbraw/zinc/74/42/49/638744249.db2.gz ONEZCLUHKYUSLH-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209151 638771207 /nfs/dbraw/zinc/77/12/07/638771207.db2.gz PPSXFMHEMVLYAG-YPMHNXCESA-N 1 0 293.342 2.573 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000866273331 638786853 /nfs/dbraw/zinc/78/68/53/638786853.db2.gz KBJKQGXHKYEFNV-MDZLAQPJSA-N 1 0 296.342 2.680 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866341936 638799787 /nfs/dbraw/zinc/79/97/87/638799787.db2.gz CHDTYUVFSLALDZ-QWRGUYRKSA-N 1 0 284.331 2.680 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000866362169 638804355 /nfs/dbraw/zinc/80/43/55/638804355.db2.gz BBEBOWOYXPBXKP-HZMBPMFUSA-N 1 0 298.358 2.804 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000866540682 638838598 /nfs/dbraw/zinc/83/85/98/638838598.db2.gz RNRDQXMWOVYVKX-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(c3ccccc3)C2)c1 ZINC000871988065 641544493 /nfs/dbraw/zinc/54/44/93/641544493.db2.gz HRACHHLOYMWZRC-KRWDZBQOSA-N 1 0 298.342 2.728 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015947 641547421 /nfs/dbraw/zinc/54/74/21/641547421.db2.gz AOAZZHFMBODADQ-SNVBAGLBSA-N 1 0 270.304 2.811 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019488 641549746 /nfs/dbraw/zinc/54/97/46/641549746.db2.gz YGXILZJAUQGWJE-VXGBXAGGSA-N 1 0 295.358 2.869 20 5 CFBDRO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025940 641557155 /nfs/dbraw/zinc/55/71/55/641557155.db2.gz WBBGXIZRNZPQOG-NWDGAFQWSA-N 1 0 295.358 2.726 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036137 641568350 /nfs/dbraw/zinc/56/83/50/641568350.db2.gz QJIOQXREDKEKHJ-OPQQBVKSSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035998 641568490 /nfs/dbraw/zinc/56/84/90/641568490.db2.gz OTUWIZRHBYEEIK-XPTSAGLGSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037508 641570845 /nfs/dbraw/zinc/57/08/45/641570845.db2.gz CNUPUHZDFXTCBE-SRVKXCTJSA-N 1 0 295.358 2.867 20 5 CFBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049561 641583638 /nfs/dbraw/zinc/58/36/38/641583638.db2.gz STGDBRQQHSEHFU-CABZTGNLSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@@H](NCC1([NH+](C)C)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065238 641598098 /nfs/dbraw/zinc/59/80/98/641598098.db2.gz WEXXOQRLSLSFLV-LLVKDONJSA-N 1 0 295.358 2.869 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872068424 641599862 /nfs/dbraw/zinc/59/98/62/641599862.db2.gz XLVLGTPGCBXZQO-VHSXEESVSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068422 641600256 /nfs/dbraw/zinc/60/02/56/641600256.db2.gz XLVLGTPGCBXZQO-NXEZZACHSA-N 1 0 270.304 2.546 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872071935 641603533 /nfs/dbraw/zinc/60/35/33/641603533.db2.gz AGZTWQWONOPVJZ-NOZJJQNGSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074897 641607243 /nfs/dbraw/zinc/60/72/43/641607243.db2.gz JZKCNBFJQWAZSS-MNOVXSKESA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076294 641608034 /nfs/dbraw/zinc/60/80/34/641608034.db2.gz YVDCVLDNAXHIEF-WDEREUQCSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079582 641612181 /nfs/dbraw/zinc/61/21/81/641612181.db2.gz JDGDKBWNAOTABK-TUAOUCFPSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872082028 641615721 /nfs/dbraw/zinc/61/57/21/641615721.db2.gz NRMIWGLJMDKTNG-KCJUWKMLSA-N 1 0 250.273 2.937 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089732 641623111 /nfs/dbraw/zinc/62/31/11/641623111.db2.gz CVXSCBNFUAGWAZ-NURSFMCSSA-N 1 0 294.326 2.952 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000872129599 641657833 /nfs/dbraw/zinc/65/78/33/641657833.db2.gz RPVGSCBHEGKOHG-UTUOFQBUSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129847 641657991 /nfs/dbraw/zinc/65/79/91/641657991.db2.gz ZFPKNYSHQQOMTM-HNCHTBHHSA-N 1 0 264.325 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000872779860 641933333 /nfs/dbraw/zinc/93/33/33/641933333.db2.gz JBJRFNCKFHMDGX-OLZOCXBDSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1nccn1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873016712 641985508 /nfs/dbraw/zinc/98/55/08/641985508.db2.gz PYDIUESSEAUVSL-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000873050419 641995504 /nfs/dbraw/zinc/99/55/04/641995504.db2.gz WASFSKGWSJHJDY-LLVKDONJSA-N 1 0 292.257 2.570 20 5 CFBDRO Cc1cc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000873080912 642007284 /nfs/dbraw/zinc/00/72/84/642007284.db2.gz VZUVIONKVOWTAQ-JTQLQIEISA-N 1 0 288.351 2.656 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000873133200 642024665 /nfs/dbraw/zinc/02/46/65/642024665.db2.gz BLFXNESBNIZTRV-LBPRGKRZSA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)COCC2CC2)cccc1[N+](=O)[O-] ZINC000873133566 642024734 /nfs/dbraw/zinc/02/47/34/642024734.db2.gz SHETUPGEGRMGKW-LLVKDONJSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000873138129 642027438 /nfs/dbraw/zinc/02/74/38/642027438.db2.gz NMZPGWHYNMJBBA-HUUCEWRRSA-N 1 0 290.363 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000873149321 642031956 /nfs/dbraw/zinc/03/19/56/642031956.db2.gz CFHAIQRXCBYKLI-VHRBIJSZSA-N 1 0 278.352 2.867 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c(F)c1 ZINC000873155885 642038603 /nfs/dbraw/zinc/03/86/03/642038603.db2.gz HWULTLWCDVVFCJ-VZJVUDMVSA-N 1 0 294.326 2.781 20 5 CFBDRO CC[N@H+](CCOC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876568549 642927632 /nfs/dbraw/zinc/92/76/32/642927632.db2.gz JXFMJKAIYGWYTF-UHFFFAOYSA-N 1 0 266.341 2.680 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC[C@H]1CCO1)C2 ZINC000876739858 642989157 /nfs/dbraw/zinc/98/91/57/642989157.db2.gz KJWKRFYAYPTOOP-ZDUSSCGKSA-N 1 0 276.336 2.522 20 5 CFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876893274 643054128 /nfs/dbraw/zinc/05/41/28/643054128.db2.gz FAXSNUHTZZERAX-MLCFOIATSA-N 1 0 278.356 2.663 20 5 CFBDRO CSCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877055699 643124293 /nfs/dbraw/zinc/12/42/93/643124293.db2.gz OBZQKBOJLZZTRU-SECBINFHSA-N 1 0 295.364 2.967 20 5 CFBDRO CC[C@@H](C)C[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877067461 643132466 /nfs/dbraw/zinc/13/24/66/643132466.db2.gz HWGLQICETGOATL-IALDZJHCSA-N 1 0 280.372 2.909 20 5 CFBDRO CC(C)CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877087188 643145530 /nfs/dbraw/zinc/14/55/30/643145530.db2.gz HNXLGVLOWGYRBR-UHFFFAOYSA-N 1 0 292.383 2.911 20 5 CFBDRO CC(C)C[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877112781 643157909 /nfs/dbraw/zinc/15/79/09/643157909.db2.gz ZJZAPPJETWFABD-VOMCLLRMSA-N 1 0 266.345 2.519 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000877596224 643387782 /nfs/dbraw/zinc/38/77/82/643387782.db2.gz JZRYMFIWJCTMRG-CQSZACIVSA-N 1 0 291.395 2.738 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615393 643401269 /nfs/dbraw/zinc/40/12/69/643401269.db2.gz QIFNHSQIYWCYFR-TXEJJXNPSA-N 1 0 282.290 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000877621307 643407592 /nfs/dbraw/zinc/40/75/92/643407592.db2.gz QJGBQUJKGSCUGM-LLVKDONJSA-N 1 0 278.352 2.557 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)O1 ZINC000877683208 643452705 /nfs/dbraw/zinc/45/27/05/643452705.db2.gz UIWCYIZYGBOAHW-LNLATYFQSA-N 1 0 284.743 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000877738957 643504263 /nfs/dbraw/zinc/50/42/63/643504263.db2.gz QTZXREBBEPHCIE-KBPBESRZSA-N 1 0 292.404 2.822 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000245988899 650848350 /nfs/dbraw/zinc/84/83/50/650848350.db2.gz WMXSBEHUJOWNMT-ZYHUDNBSSA-N 1 0 288.351 2.941 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC000877805507 643567184 /nfs/dbraw/zinc/56/71/84/643567184.db2.gz KDOVCYGXUZBUQV-BPUTZDHNSA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1F ZINC000879565932 644326645 /nfs/dbraw/zinc/32/66/45/644326645.db2.gz RLKBERVUSFBGRU-VXGBXAGGSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000127934150 644378888 /nfs/dbraw/zinc/37/88/88/644378888.db2.gz IBSFIRQHGHICPZ-SKDRFNHKSA-N 1 0 288.307 2.705 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000251841964 650996114 /nfs/dbraw/zinc/99/61/14/650996114.db2.gz QXBCFDONOOYGSB-UKRRQHHQSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882822813 645471540 /nfs/dbraw/zinc/47/15/40/645471540.db2.gz YNXMBDGCZOGHMT-CYBMUJFWSA-N 1 0 298.346 2.705 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000304260004 651018392 /nfs/dbraw/zinc/01/83/92/651018392.db2.gz FJLRXCNNWTWWMZ-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000130704867 645555795 /nfs/dbraw/zinc/55/57/95/645555795.db2.gz STTBKZPSULMORN-MFKMUULPSA-N 1 0 266.341 2.652 20 5 CFBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756634 645563616 /nfs/dbraw/zinc/56/36/16/645563616.db2.gz GDOLQHAEEVTEBM-NWDGAFQWSA-N 1 0 266.345 2.649 20 5 CFBDRO CC(C)c1c[nH]c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000883077204 645593739 /nfs/dbraw/zinc/59/37/39/645593739.db2.gz BWLRHCPVIDPFDM-UHFFFAOYSA-N 1 0 288.351 2.774 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883245728 645693129 /nfs/dbraw/zinc/69/31/29/645693129.db2.gz QHQMZKGSDCJYLR-WDEREUQCSA-N 1 0 261.325 2.794 20 5 CFBDRO C=C/C=C\CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000883268863 645711388 /nfs/dbraw/zinc/71/13/88/645711388.db2.gz UVRAGQXSHDDYCC-TYHIMRJMSA-N 1 0 290.367 2.997 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000883270218 645712294 /nfs/dbraw/zinc/71/22/94/645712294.db2.gz ISGSGRWSOBPWSY-YRGRVCCFSA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883272651 645714413 /nfs/dbraw/zinc/71/44/13/645714413.db2.gz RZEZTEKSDSJZOT-PJODQICGSA-N 1 0 290.363 2.987 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000883320670 645739356 /nfs/dbraw/zinc/73/93/56/645739356.db2.gz RRCOZHZWUUYIMU-UPJWGTAASA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000253194089 651039904 /nfs/dbraw/zinc/03/99/04/651039904.db2.gz PMPATOLBFPGMNG-ZYHUDNBSSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253203265 651040137 /nfs/dbraw/zinc/04/01/37/651040137.db2.gz ZKYMVDJXUXLICV-ZYHUDNBSSA-N 1 0 297.786 2.665 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000883353798 645756762 /nfs/dbraw/zinc/75/67/62/645756762.db2.gz DPTMYSOZGAEEBE-QWHCGFSZSA-N 1 0 277.368 2.648 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884563966 646454587 /nfs/dbraw/zinc/45/45/87/646454587.db2.gz UIELPAMEPDSJMR-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000885983421 646795476 /nfs/dbraw/zinc/79/54/76/646795476.db2.gz GBPYOYAFQHKYRA-CYBMUJFWSA-N 1 0 261.325 2.754 20 5 CFBDRO C[C@H](O)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885987808 646797430 /nfs/dbraw/zinc/79/74/30/646797430.db2.gz BGNMKVBPQRMVBY-LBPRGKRZSA-N 1 0 293.367 2.505 20 5 CFBDRO CC[C@@H](c1ccncc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886093562 646863879 /nfs/dbraw/zinc/86/38/79/646863879.db2.gz COLVQKAXMSINEC-AWEZNQCLSA-N 1 0 286.335 2.968 20 5 CFBDRO CC(C)([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886215427 646924565 /nfs/dbraw/zinc/92/45/65/646924565.db2.gz KDHAIJJMYHMNNU-MLGOLLRUSA-N 1 0 290.363 2.846 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000886237026 646933563 /nfs/dbraw/zinc/93/35/63/646933563.db2.gz TZIIQGBVCLJCKR-CQSZACIVSA-N 1 0 293.392 2.709 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000886542448 647038720 /nfs/dbraw/zinc/03/87/20/647038720.db2.gz AEJMQAMYGXANDO-HNNXBMFYSA-N 1 0 288.351 2.815 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815670 647149053 /nfs/dbraw/zinc/14/90/53/647149053.db2.gz HXYBGIMZOHXOSN-GOEBONIOSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cs1 ZINC000886832044 647155511 /nfs/dbraw/zinc/15/55/11/647155511.db2.gz ABCLUBPUNFWRQY-NWDGAFQWSA-N 1 0 282.365 2.657 20 5 CFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000887275752 647259155 /nfs/dbraw/zinc/25/91/55/647259155.db2.gz PROZQWFEFMQQAW-MRVPVSSYSA-N 1 0 278.337 2.513 20 5 CFBDRO C[C@@H]([NH3+])[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925595434 648231635 /nfs/dbraw/zinc/23/16/35/648231635.db2.gz RZKJYWSJHYAVRA-WBMJQRKESA-N 1 0 285.347 2.773 20 5 CFBDRO CC[C@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926494005 648508950 /nfs/dbraw/zinc/50/89/50/648508950.db2.gz XRPWNZMTOPWIJX-COPLHBTASA-N 1 0 264.325 2.670 20 5 CFBDRO CCOCCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000927086318 648705155 /nfs/dbraw/zinc/70/51/55/648705155.db2.gz GEOWPZVPHMDJPJ-CYBMUJFWSA-N 1 0 296.367 2.607 20 5 CFBDRO C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928250183 648890349 /nfs/dbraw/zinc/89/03/49/648890349.db2.gz ZCYWWVIXDYDQBU-GFCCVEGCSA-N 1 0 293.367 2.504 20 5 CFBDRO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CC[N+](=O)[O-] ZINC000929384329 649042821 /nfs/dbraw/zinc/04/28/21/649042821.db2.gz XOOJEEWIWFAOBB-SECBINFHSA-N 1 0 276.258 2.975 20 5 CFBDRO C[C@H](Cc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035254666 649057242 /nfs/dbraw/zinc/05/72/42/649057242.db2.gz IJXARXXZNSNKTK-LLVKDONJSA-N 1 0 260.293 2.909 20 5 CFBDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929723595 649107219 /nfs/dbraw/zinc/10/72/19/649107219.db2.gz LPSOVKUQKVIZFU-HUUCEWRRSA-N 1 0 262.353 2.840 20 5 CFBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929819798 649130117 /nfs/dbraw/zinc/13/01/17/649130117.db2.gz VYQJRSQFNOOKKD-OAHLLOKOSA-N 1 0 262.353 2.608 20 5 CFBDRO CC(=O)NCCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208803 649207492 /nfs/dbraw/zinc/20/74/92/649207492.db2.gz WZRFYTMPYCWIGA-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930239236 649212074 /nfs/dbraw/zinc/21/20/74/649212074.db2.gz UZFAMUPEZHZBRN-ICCXJUOJSA-N 1 0 268.744 2.903 20 5 CFBDRO CC[NH+](CC)CCCNCc1cccc([N+](=O)[O-])c1C ZINC000035648740 649265784 /nfs/dbraw/zinc/26/57/84/649265784.db2.gz AUVFHMUSHXRTLF-UHFFFAOYSA-N 1 0 279.384 2.725 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOC3CC3)C2)cc1 ZINC000930635826 649293461 /nfs/dbraw/zinc/29/34/61/649293461.db2.gz AHYCMVUXXCDOJT-CQSZACIVSA-N 1 0 290.363 2.953 20 5 CFBDRO [NH3+]CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697507 649299370 /nfs/dbraw/zinc/29/93/70/649299370.db2.gz OVOJRLNCFNWQMU-UHFFFAOYSA-N 1 0 290.323 2.706 20 5 CFBDRO CCCCN(CC[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032929 649367643 /nfs/dbraw/zinc/36/76/43/649367643.db2.gz CGEZXQDUGJNGMN-UHFFFAOYSA-N 1 0 285.432 2.674 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724780 649480526 /nfs/dbraw/zinc/48/05/26/649480526.db2.gz MTIQTQWPOUCPFH-MJBXVCDLSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931924761 649512528 /nfs/dbraw/zinc/51/25/28/649512528.db2.gz XYFOZPMAFATNFX-DOTOQJQBSA-N 1 0 295.342 2.763 20 5 CFBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932169279 649557403 /nfs/dbraw/zinc/55/74/03/649557403.db2.gz PPHYJCDEJLAYEW-ZDUSSCGKSA-N 1 0 293.367 2.769 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000932177288 649559893 /nfs/dbraw/zinc/55/98/93/649559893.db2.gz WDCWTNHCDZQMBO-UXIGCNINSA-N 1 0 276.336 2.672 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000932177286 649559929 /nfs/dbraw/zinc/55/99/29/649559929.db2.gz WDCWTNHCDZQMBO-KYOSRNDESA-N 1 0 276.336 2.672 20 5 CFBDRO Cc1cc(C)n(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000932179269 649559970 /nfs/dbraw/zinc/55/99/70/649559970.db2.gz XRIDBBNNDLFBLN-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCO[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000932334217 649578850 /nfs/dbraw/zinc/57/88/50/649578850.db2.gz AHSXMLPVKKSYSP-LBPRGKRZSA-N 1 0 264.325 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000932361866 649585440 /nfs/dbraw/zinc/58/54/40/649585440.db2.gz YRFRMRPSUXCGBS-OAHLLOKOSA-N 1 0 298.346 2.668 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932814768 649645519 /nfs/dbraw/zinc/64/55/19/649645519.db2.gz JHUODIYAHYHBFZ-UHFFFAOYSA-N 1 0 290.363 2.722 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933745059 649719155 /nfs/dbraw/zinc/71/91/55/649719155.db2.gz KRQDIHXKVXJSNO-DUVNUKRYSA-N 1 0 289.379 2.539 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934007411 649741458 /nfs/dbraw/zinc/74/14/58/649741458.db2.gz AJUOJPDYBVEDCM-AWEZNQCLSA-N 1 0 296.342 2.765 20 5 CFBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105834 649750268 /nfs/dbraw/zinc/75/02/68/649750268.db2.gz QFMQPWSUKMUPPI-TZMCWYRMSA-N 1 0 264.325 2.512 20 5 CFBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123365 649752416 /nfs/dbraw/zinc/75/24/16/649752416.db2.gz AFXYKSOAWHOEIZ-LEWSCRJBSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000934235395 649764929 /nfs/dbraw/zinc/76/49/29/649764929.db2.gz UBOVVJWJDXLRHM-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[N+](=O)[O-])cc2ccccc21 ZINC000934629350 649807032 /nfs/dbraw/zinc/80/70/32/649807032.db2.gz DMYMZJFKJGHVHC-NSHDSACASA-N 1 0 274.320 2.776 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000934673438 649814137 /nfs/dbraw/zinc/81/41/37/649814137.db2.gz FSLBAFJQZHDFQN-UHFFFAOYSA-N 1 0 272.345 2.965 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000113711387 651203519 /nfs/dbraw/zinc/20/35/19/651203519.db2.gz AYXXJDHJQWOFIU-AWEZNQCLSA-N 1 0 292.360 2.788 20 5 CFBDRO CN(C)c1cc[nH+]cc1Nc1cccc([N+](=O)[O-])c1F ZINC001210378969 770275124 /nfs/dbraw/zinc/27/51/24/770275124.db2.gz PHKMCJKZJMACLU-UHFFFAOYSA-N 1 0 276.271 2.939 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000723990881 770735426 /nfs/dbraw/zinc/73/54/26/770735426.db2.gz VPTNVPTZXZXMMM-UKRRQHHQSA-N 1 0 278.352 2.890 20 5 CFBDRO C[NH+](C)CC[C@H](O[C@H](C[N+](=O)[O-])C1CC1)c1ccccc1 ZINC001224133292 775107556 /nfs/dbraw/zinc/10/75/56/775107556.db2.gz KRVCUTGZTZCHTA-JKSUJKDBSA-N 1 0 292.379 2.751 20 5 CFBDRO C[N+](C)(C)CCCOC1CCN(c2ccccc2)CC1 ZINC001224623039 775229481 /nfs/dbraw/zinc/22/94/81/775229481.db2.gz KIXRQFSGWZMGJT-UHFFFAOYSA-N 1 0 277.432 2.768 20 5 CFBDRO C[N+](C)(C)CCCO[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001224621359 775229774 /nfs/dbraw/zinc/22/97/74/775229774.db2.gz RZYDKTLHJACGRD-CALCHBBNSA-N 1 0 278.416 2.847 20 5 CFBDRO C[N+](C)(C)CCO[C@@H]1CC[C@@H](OCc2ccccc2)C1 ZINC001224773976 775269954 /nfs/dbraw/zinc/26/99/54/775269954.db2.gz OOHYDTAJEIFXEF-IAGOWNOFSA-N 1 0 278.416 2.847 20 5 CFBDRO Cc1ccc(N2CCC(OCC[N+](C)(C)C)CC2)cc1 ZINC001224771909 775270281 /nfs/dbraw/zinc/27/02/81/775270281.db2.gz UHHMTPIEBOOIQG-UHFFFAOYSA-N 1 0 277.432 2.687 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCCCCC(=O)OC(C)(C)C ZINC001224881204 775297576 /nfs/dbraw/zinc/29/75/76/775297576.db2.gz HQRBDFBVAMVMDE-ZDUSSCGKSA-N 1 0 274.425 2.610 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1Cl ZINC001217980131 775416533 /nfs/dbraw/zinc/41/65/33/775416533.db2.gz KHUUXTUAQLUOPX-CMPLNLGQSA-N 1 0 288.706 2.717 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001218000961 775425508 /nfs/dbraw/zinc/42/55/08/775425508.db2.gz NORWBGAWSOXXQJ-IONNQARKSA-N 1 0 295.097 2.590 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001218060069 775464639 /nfs/dbraw/zinc/46/46/39/775464639.db2.gz LLRBJPMSSLKTDW-NWDGAFQWSA-N 1 0 264.325 2.731 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225579456 775509388 /nfs/dbraw/zinc/50/93/88/775509388.db2.gz UGGQFOCEKORUJE-NSHDSACASA-N 1 0 268.288 2.595 20 5 CFBDRO Cc1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001225663587 775547489 /nfs/dbraw/zinc/54/74/89/775547489.db2.gz RIMRAZIVYIZMKC-LBPRGKRZSA-N 1 0 279.340 2.550 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225665599 775549096 /nfs/dbraw/zinc/54/90/96/775549096.db2.gz BKQXJNLVQOOYTQ-SNVBAGLBSA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001225678784 775554456 /nfs/dbraw/zinc/55/44/56/775554456.db2.gz JNMPOGJTNZGDHD-CLLJXQQHSA-N 1 0 276.336 2.907 20 5 CFBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)c1 ZINC001225877454 775619993 /nfs/dbraw/zinc/61/99/93/775619993.db2.gz XCGUAWNOAOQFCU-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218390396 775620782 /nfs/dbraw/zinc/62/07/82/775620782.db2.gz XQKUIYCFEQUVOP-XUOSJQGZSA-N 1 0 277.107 2.641 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225940857 775642420 /nfs/dbraw/zinc/64/24/20/775642420.db2.gz AUQKCSSYGAXGDY-LLVKDONJSA-N 1 0 268.288 2.595 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(F)c(F)ccc1[N+](=O)[O-] ZINC001225960071 775648919 /nfs/dbraw/zinc/64/89/19/775648919.db2.gz OQSXJZQLGZCHDV-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO Cc1cc(C)c(O[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001218482420 775682274 /nfs/dbraw/zinc/68/22/74/775682274.db2.gz JVEOPYYZSDWIBH-MFKMUULPSA-N 1 0 264.325 2.588 20 5 CFBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC001226256272 775756984 /nfs/dbraw/zinc/75/69/84/775756984.db2.gz ROQYRZBLFZYMIM-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226271403 775765609 /nfs/dbraw/zinc/76/56/09/775765609.db2.gz YZZCSFLGMAGXIN-LBPRGKRZSA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccc(F)cc21 ZINC001226372074 775793625 /nfs/dbraw/zinc/79/36/25/775793625.db2.gz JOMHAPQXEMCQGD-SECBINFHSA-N 1 0 298.769 2.896 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2cc(F)ccc21 ZINC001226373392 775794871 /nfs/dbraw/zinc/79/48/71/775794871.db2.gz JJKBXTOVNLUPGA-SECBINFHSA-N 1 0 298.769 2.896 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC001226765524 775954837 /nfs/dbraw/zinc/95/48/37/775954837.db2.gz RMOQDBTWWAKKEW-LLVKDONJSA-N 1 0 252.314 2.704 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H](C)C[NH+](C)C ZINC001226990910 776051971 /nfs/dbraw/zinc/05/19/71/776051971.db2.gz ZIALJEKGQAHSIG-VIFPVBQESA-N 1 0 272.732 2.886 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(OC2CCC([NH+](C)C)CC2)n1 ZINC001227062811 776080732 /nfs/dbraw/zinc/08/07/32/776080732.db2.gz UNRCHFQIAPDKQC-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152869 776117782 /nfs/dbraw/zinc/11/77/82/776117782.db2.gz FHRYAOGNSHFDPX-MRVPVSSYSA-N 1 0 288.706 2.860 20 5 CFBDRO COC(=O)c1ccc(Cl)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227156379 776118779 /nfs/dbraw/zinc/11/87/79/776118779.db2.gz JWVFYGLPBUYSQK-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO COc1ccc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227697406 776261092 /nfs/dbraw/zinc/26/10/92/776261092.db2.gz PHNXKZCUBXAANM-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001227702378 776262337 /nfs/dbraw/zinc/26/23/37/776262337.db2.gz VZTRMPBOPRBWGC-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001227702688 776263813 /nfs/dbraw/zinc/26/38/13/776263813.db2.gz YNRRAACHAOYGIB-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccn(-c2ccc(Cl)cc2)n1 ZINC001228003093 776357850 /nfs/dbraw/zinc/35/78/50/776357850.db2.gz QFDPHCFAIMDSBQ-LBPRGKRZSA-N 1 0 294.806 2.999 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228013961 776363415 /nfs/dbraw/zinc/36/34/15/776363415.db2.gz BFPOFCVHUOYUKJ-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CCCOc1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001228179364 776416233 /nfs/dbraw/zinc/41/62/33/776416233.db2.gz MGDADSJPDYIIQG-ZDUSSCGKSA-N 1 0 252.378 2.949 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cs1 ZINC000722319646 776449271 /nfs/dbraw/zinc/44/92/71/776449271.db2.gz JRDRKIGVJVJYIC-NWDGAFQWSA-N 1 0 282.365 2.704 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229345466 776786266 /nfs/dbraw/zinc/78/62/66/776786266.db2.gz FMQMMPBRVDOMIU-NSHDSACASA-N 1 0 290.343 2.617 20 5 CFBDRO COc1cccc2c1ccnc2O[C@H](C)C[N+](C)(C)C ZINC001229554249 776845390 /nfs/dbraw/zinc/84/53/90/776845390.db2.gz DIDMFNQBVFNBSR-GFCCVEGCSA-N 1 0 275.372 2.717 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCc2nccn2C1 ZINC001229881097 776909588 /nfs/dbraw/zinc/90/95/88/776909588.db2.gz NFIZDKJVSNLIKX-LBPRGKRZSA-N 1 0 287.319 2.802 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC001229896088 776914108 /nfs/dbraw/zinc/91/41/08/776914108.db2.gz YYVNXPVXSCWOAZ-LLVKDONJSA-N 1 0 282.315 2.904 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229915020 776917016 /nfs/dbraw/zinc/91/70/16/776917016.db2.gz IENVYUBYSVKQHR-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229918702 776917926 /nfs/dbraw/zinc/91/79/26/776917926.db2.gz GLMPXPKTEUSYHZ-JTQLQIEISA-N 1 0 299.758 2.895 20 5 CFBDRO CC(=O)c1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001230564910 777015220 /nfs/dbraw/zinc/01/52/20/777015220.db2.gz USOPVNRSSYPFLF-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001230724638 777051866 /nfs/dbraw/zinc/05/18/66/777051866.db2.gz YTMMOHLZNKZYQM-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C2 ZINC001230872426 777078526 /nfs/dbraw/zinc/07/85/26/777078526.db2.gz NHTRZJREUMHPGJ-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO COc1cccc2c(O[C@@H](C)C[N+](C)(C)C)ccnc12 ZINC001231054259 777126282 /nfs/dbraw/zinc/12/62/82/777126282.db2.gz LKKGXYQVOMHQOK-LBPRGKRZSA-N 1 0 275.372 2.717 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2c(F)cccc2c1 ZINC001231145460 777156461 /nfs/dbraw/zinc/15/64/61/777156461.db2.gz JAKBPSQGVAOACH-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2c(cccc2[N+](=O)[O-])c1 ZINC001231156938 777159207 /nfs/dbraw/zinc/15/92/07/777159207.db2.gz VDZNREZLRIOHFL-NSHDSACASA-N 1 0 290.343 2.617 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c(F)cccc1[N+](=O)[O-] ZINC001226006359 777375750 /nfs/dbraw/zinc/37/57/50/777375750.db2.gz CDRUMPRIJRQRKM-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO Cc1ccc(OC[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000697089197 778048811 /nfs/dbraw/zinc/04/88/11/778048811.db2.gz VLDLQVHEUJQIQR-GFCCVEGCSA-N 1 0 264.325 2.672 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)cnc1[N+](=O)[O-])C2 ZINC001233714219 778051983 /nfs/dbraw/zinc/05/19/83/778051983.db2.gz ZWAMZDHTEFXWNO-JGPRNRPPSA-N 1 0 297.742 2.647 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)cnc1[N+](=O)[O-])C2 ZINC001233714228 778052481 /nfs/dbraw/zinc/05/24/81/778052481.db2.gz ZWAMZDHTEFXWNO-URLYPYJESA-N 1 0 297.742 2.647 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CC[NH+](C)CC1 ZINC001228572146 778158149 /nfs/dbraw/zinc/15/81/49/778158149.db2.gz XRUKOIBLILDGRQ-UHFFFAOYSA-N 1 0 264.325 2.685 20 5 CFBDRO COc1cc2c(ccnc2O[C@H](C)C[N+](C)(C)C)cc1F ZINC001234866691 778316041 /nfs/dbraw/zinc/31/60/41/778316041.db2.gz DWRGCELJAKHZLX-LLVKDONJSA-N 1 0 293.362 2.856 20 5 CFBDRO COc1cc(C(C)=O)c(C)cc1O[C@H](C)C[N+](C)(C)C ZINC001234953412 778339530 /nfs/dbraw/zinc/33/95/30/778339530.db2.gz CYNYVRNEBDIIIZ-GFCCVEGCSA-N 1 0 280.388 2.680 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NC1CSC1 ZINC001168364275 778524735 /nfs/dbraw/zinc/52/47/35/778524735.db2.gz MYXHESBSEUCTJJ-UHFFFAOYSA-N 1 0 251.419 2.810 20 5 CFBDRO C[C@H](OCCC[N+](C)(C)C)c1cnc2ccccn21 ZINC001224619119 778602109 /nfs/dbraw/zinc/60/21/09/778602109.db2.gz LIIFHQDSAXVVCK-ZDUSSCGKSA-N 1 0 262.377 2.508 20 5 CFBDRO COc1cccc(OC[C@@H](C)OCCC[N+](C)(C)C)c1 ZINC001224622209 778603068 /nfs/dbraw/zinc/60/30/68/778603068.db2.gz GGVSREJTJPSDSA-CQSZACIVSA-N 1 0 282.404 2.575 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ncsc21 ZINC001234473534 779233774 /nfs/dbraw/zinc/23/37/74/779233774.db2.gz HQXDPHZEYVNFCH-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453119681 780415158 /nfs/dbraw/zinc/41/51/58/780415158.db2.gz MKCPSNCWWNFJRG-LSDHHAIUSA-N 1 0 290.363 2.685 20 5 CFBDRO COC1CC(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000703121005 780992648 /nfs/dbraw/zinc/99/26/48/780992648.db2.gz QELYFDJDRUCRKD-UNXYVOJBSA-N 1 0 264.325 2.670 20 5 CFBDRO CSC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000706774173 781201228 /nfs/dbraw/zinc/20/12/28/781201228.db2.gz DVYZBKMGAYVRIQ-UHFFFAOYSA-N 1 0 266.366 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000706954548 781218707 /nfs/dbraw/zinc/21/87/07/781218707.db2.gz ABZVEJDXVOPQKV-ZIAGYGMSSA-N 1 0 276.336 2.551 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cs1 ZINC000711837640 781473408 /nfs/dbraw/zinc/47/34/08/781473408.db2.gz BGMQBFPSVFVLNQ-OCCSQVGLSA-N 1 0 296.392 2.951 20 5 CFBDRO Cc1cc(Cl)nc(N2C[C@@H](C)CC[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC001164067474 781659840 /nfs/dbraw/zinc/65/98/40/781659840.db2.gz CLZFNAAHDSXFME-WPRPVWTQSA-N 1 0 298.774 2.515 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c(Cl)cccc12 ZINC001230776479 781871257 /nfs/dbraw/zinc/87/12/57/781871257.db2.gz QOOPOLLMVHIAJJ-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594518930 349440029 /nfs/dbraw/zinc/44/00/29/349440029.db2.gz RFYXBXITRIKKOS-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO CC[NH+](CC)CCCNc1c(OC)cccc1[N+](=O)[O-] ZINC000594540384 349443564 /nfs/dbraw/zinc/44/35/64/349443564.db2.gz PATAYRSMQRWZGL-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000124412527 187136408 /nfs/dbraw/zinc/13/64/08/187136408.db2.gz TWVCTHJLNGXNFC-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N(C)CC[NH+]1CCCCC1 ZINC000594586795 349452130 /nfs/dbraw/zinc/45/21/30/349452130.db2.gz GDRZDJJKWIMCSY-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592289 349453949 /nfs/dbraw/zinc/45/39/49/349453949.db2.gz PFSIDTADKSFAPF-UPJWGTAASA-N 1 0 293.367 2.504 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594591834 349453987 /nfs/dbraw/zinc/45/39/87/349453987.db2.gz MOOBAMADDNSIPF-BJHJDKERSA-N 1 0 263.341 2.655 20 5 CFBDRO Cc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594601245 349457921 /nfs/dbraw/zinc/45/79/21/349457921.db2.gz MXQGTXQWZBVGJA-JSGCOSHPSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594601968 349458226 /nfs/dbraw/zinc/45/82/26/349458226.db2.gz QDGDVNLDOMRGPO-CHWSQXEVSA-N 1 0 294.330 2.558 20 5 CFBDRO CC(C)c1ccc(CN(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000594734616 349484072 /nfs/dbraw/zinc/48/40/72/349484072.db2.gz COYOKVKNPCICMS-UHFFFAOYSA-N 1 0 279.384 2.887 20 5 CFBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000067711091 346816356 /nfs/dbraw/zinc/81/63/56/346816356.db2.gz NWCBXZVRSNHOEJ-UHFFFAOYSA-N 1 0 292.383 2.691 20 5 CFBDRO CCCn1nccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000594929469 349513784 /nfs/dbraw/zinc/51/37/84/349513784.db2.gz KCIGEUSFOUTKIA-UHFFFAOYSA-N 1 0 288.351 2.534 20 5 CFBDRO CC[C@@H]([NH2+]CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000127742765 187330224 /nfs/dbraw/zinc/33/02/24/187330224.db2.gz NCDHXYUHRALCBC-OAHLLOKOSA-N 1 0 276.336 2.982 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594982983 349537668 /nfs/dbraw/zinc/53/76/68/349537668.db2.gz DHXSWLXMMUOJST-DGCLKSJQSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)CC1CC1 ZINC000594981938 349537862 /nfs/dbraw/zinc/53/78/62/349537862.db2.gz CKHDWNYOMLMQRK-LYKUJDHUSA-N 1 0 290.363 2.606 20 5 CFBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000594983575 349538859 /nfs/dbraw/zinc/53/88/59/349538859.db2.gz FSRPGPVDUJMFSC-GWCFXTLKSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595008086 349546048 /nfs/dbraw/zinc/54/60/48/349546048.db2.gz PRZGZHQZJRFVOZ-WCQYABFASA-N 1 0 276.336 2.957 20 5 CFBDRO C[C@H](O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595007014 349546412 /nfs/dbraw/zinc/54/64/12/349546412.db2.gz OJGWLVBCSSYPPY-BLLLJJGKSA-N 1 0 286.331 2.807 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000595027804 349555967 /nfs/dbraw/zinc/55/59/67/349555967.db2.gz TXENCJLYISWYKV-SDDRHHMPSA-N 1 0 294.351 2.822 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594996006 349542382 /nfs/dbraw/zinc/54/23/82/349542382.db2.gz QCEQXJAWPHIUAZ-PHACEPHWSA-N 1 0 276.336 2.765 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCc1ccco1 ZINC000594997927 349543389 /nfs/dbraw/zinc/54/33/89/349543389.db2.gz SBABMFWNDNUGBV-UHFFFAOYSA-N 1 0 260.293 2.910 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000595045507 349562705 /nfs/dbraw/zinc/56/27/05/349562705.db2.gz MZRXCYYWYVUZEN-SUNKGSAMSA-N 1 0 294.351 2.679 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)C1CCC1)CCC2 ZINC000595056624 349568580 /nfs/dbraw/zinc/56/85/80/349568580.db2.gz OIAVSQSOSXIUDR-CVEARBPZSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595057476 349569170 /nfs/dbraw/zinc/56/91/70/349569170.db2.gz XNWWKUCSQLJIHV-BXUZGUMPSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068509 349573105 /nfs/dbraw/zinc/57/31/05/349573105.db2.gz PQWJKYVSGNHVBL-ABAIWWIYSA-N 1 0 290.363 2.723 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](C)OC ZINC000595038825 349559677 /nfs/dbraw/zinc/55/96/77/349559677.db2.gz NTJDBJJVHLDHMV-GHMZBOCLSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000595041375 349561117 /nfs/dbraw/zinc/56/11/17/349561117.db2.gz KPIWHAHQDXCFLW-LERXQTSPSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000595040948 349561174 /nfs/dbraw/zinc/56/11/74/349561174.db2.gz IUDKHAKURUNORD-NWDGAFQWSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595090874 349578003 /nfs/dbraw/zinc/57/80/03/349578003.db2.gz RSGPJGGOEAWITC-TZMCWYRMSA-N 1 0 292.379 2.962 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092662 349579223 /nfs/dbraw/zinc/57/92/23/349579223.db2.gz YUVNUMOVMDUWMI-RRFJBIMHSA-N 1 0 290.363 2.939 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595105000 349583097 /nfs/dbraw/zinc/58/30/97/349583097.db2.gz CTEPWUMDHXHEPU-HONMWMINSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000595070988 349574267 /nfs/dbraw/zinc/57/42/67/349574267.db2.gz WWTATBTUQDRNEN-NEPJUHHUSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595309423 349599612 /nfs/dbraw/zinc/59/96/12/349599612.db2.gz SGCJPMUOLITUME-NSHDSACASA-N 1 0 265.313 2.656 20 5 CFBDRO Cc1noc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595313023 349599814 /nfs/dbraw/zinc/59/98/14/349599814.db2.gz QYHZWDQYEJBVSI-IUCAKERBSA-N 1 0 253.302 2.654 20 5 CFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333337 349604720 /nfs/dbraw/zinc/60/47/20/349604720.db2.gz SDHLGGRPJWXGCO-PSASIEDQSA-N 1 0 253.302 2.512 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595319734 349601281 /nfs/dbraw/zinc/60/12/81/349601281.db2.gz CWCKQPAWHSPMOP-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO CC(C)OCCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330203 349603182 /nfs/dbraw/zinc/60/31/82/349603182.db2.gz KSYLPIHBBFXCFI-UHFFFAOYSA-N 1 0 284.331 2.981 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CC=CC3)CC2)c1 ZINC000595291376 349592606 /nfs/dbraw/zinc/59/26/06/349592606.db2.gz RXHAWQVYXWGEHZ-UHFFFAOYSA-N 1 0 287.363 2.683 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000595348603 349608862 /nfs/dbraw/zinc/60/88/62/349608862.db2.gz UEZFAHHKDILKJY-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595348605 349608933 /nfs/dbraw/zinc/60/89/33/349608933.db2.gz UEZFAHHKDILKJY-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3CCC3)C2)nc1 ZINC000595372783 349611306 /nfs/dbraw/zinc/61/13/06/349611306.db2.gz VDFVZJBXCQAQHN-CYBMUJFWSA-N 1 0 290.367 2.666 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595424532 349621275 /nfs/dbraw/zinc/62/12/75/349621275.db2.gz FPSRMTBWDYCLIJ-ZMLRMANQSA-N 1 0 279.340 2.902 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000595429890 349623637 /nfs/dbraw/zinc/62/36/37/349623637.db2.gz HYAKGXUAQBKPHK-UHFFFAOYSA-N 1 0 250.273 2.766 20 5 CFBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595432564 349624376 /nfs/dbraw/zinc/62/43/76/349624376.db2.gz SBXCVWXYRWERFC-WPRPVWTQSA-N 1 0 253.302 2.560 20 5 CFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595438783 349625583 /nfs/dbraw/zinc/62/55/83/349625583.db2.gz BIYQNFGSDGEBEV-MNOVXSKESA-N 1 0 267.329 2.950 20 5 CFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269690429 190536046 /nfs/dbraw/zinc/53/60/46/190536046.db2.gz UTVIVWLGJCXHMN-HNNXBMFYSA-N 1 0 278.352 2.893 20 5 CFBDRO Cc1noc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000595467569 349636120 /nfs/dbraw/zinc/63/61/20/349636120.db2.gz HXMJFLBWWYBVHS-HTQZYQBOSA-N 1 0 293.245 2.664 20 5 CFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595482965 349639314 /nfs/dbraw/zinc/63/93/14/349639314.db2.gz DHELQRAKLXLBJX-ONGXEEELSA-N 1 0 285.369 2.655 20 5 CFBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595481738 349639381 /nfs/dbraw/zinc/63/93/81/349639381.db2.gz GAFGJIALMUCLAP-KWQFWETISA-N 1 0 270.329 2.575 20 5 CFBDRO CO[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595485535 349640313 /nfs/dbraw/zinc/64/03/13/349640313.db2.gz UXTRKRPCRGEVTC-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO Cc1noc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513389 349648356 /nfs/dbraw/zinc/64/83/56/349648356.db2.gz UYNILSIHXVSEAR-NEPJUHHUSA-N 1 0 297.355 2.573 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595519863 349649112 /nfs/dbraw/zinc/64/91/12/349649112.db2.gz HXXMMPQRWKNOGP-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595523515 349650291 /nfs/dbraw/zinc/65/02/91/349650291.db2.gz RQAWCLDKVVALSL-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595538735 349654172 /nfs/dbraw/zinc/65/41/72/349654172.db2.gz JRHGGMVJADUMBW-ZIAGYGMSSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(CN3C[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000595567885 349662526 /nfs/dbraw/zinc/66/25/26/349662526.db2.gz RTJJLCZQMHOJBE-HZMBPMFUSA-N 1 0 286.335 2.846 20 5 CFBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc2ncccc21 ZINC000069287109 346887390 /nfs/dbraw/zinc/88/73/90/346887390.db2.gz RXEMAJOUIGKLFC-LLVKDONJSA-N 1 0 298.346 2.792 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000125901308 187204172 /nfs/dbraw/zinc/20/41/72/187204172.db2.gz RFCKHAZBEALUOG-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595689170 349701253 /nfs/dbraw/zinc/70/12/53/349701253.db2.gz MQTRKPFVVGAEAJ-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679746 349698128 /nfs/dbraw/zinc/69/81/28/349698128.db2.gz XNNGAZZDUZFDKU-IAQYHMDHSA-N 1 0 296.342 2.717 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595806757 349736772 /nfs/dbraw/zinc/73/67/72/349736772.db2.gz FYJPETNWDWYRNR-VXGBXAGGSA-N 1 0 276.336 2.835 20 5 CFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595765513 349727646 /nfs/dbraw/zinc/72/76/46/349727646.db2.gz KAJVXLNISILACK-LBPRGKRZSA-N 1 0 291.351 2.702 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000595874641 349759814 /nfs/dbraw/zinc/75/98/14/349759814.db2.gz XLELSZGDWMSPTJ-UHFFFAOYSA-N 1 0 279.384 2.805 20 5 CFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000595902928 349765386 /nfs/dbraw/zinc/76/53/86/349765386.db2.gz IIAMIRNHVNVZFA-INIZCTEOSA-N 1 0 297.358 2.875 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000595835693 349748477 /nfs/dbraw/zinc/74/84/77/349748477.db2.gz WCWPVUKZHRGUTO-LBPRGKRZSA-N 1 0 276.336 2.687 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000596014906 349776496 /nfs/dbraw/zinc/77/64/96/349776496.db2.gz WKIJUJJKAUEZCN-VXGBXAGGSA-N 1 0 293.367 2.557 20 5 CFBDRO COc1ccc(C[N@@H+]2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000595914451 349768084 /nfs/dbraw/zinc/76/80/84/349768084.db2.gz AEXVCVROTWOZEX-UHFFFAOYSA-N 1 0 262.309 2.588 20 5 CFBDRO Cc1cc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596083894 349789747 /nfs/dbraw/zinc/78/97/47/349789747.db2.gz YAZMBFDLKIMUQD-UHFFFAOYSA-N 1 0 283.397 2.743 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126389817 187236931 /nfs/dbraw/zinc/23/69/31/187236931.db2.gz YVQFNYHQRNOJMI-QMTHXVAHSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596114629 349797941 /nfs/dbraw/zinc/79/79/41/349797941.db2.gz LKQQJOGMJDMIIQ-NSHDSACASA-N 1 0 269.370 2.717 20 5 CFBDRO CC[C@H](O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422081611 529708708 /nfs/dbraw/zinc/70/87/08/529708708.db2.gz CZEWKRFQBFHAOK-LBPRGKRZSA-N 1 0 266.341 2.579 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169185 349816184 /nfs/dbraw/zinc/81/61/84/349816184.db2.gz SCVGALNUMNAWFF-NWDGAFQWSA-N 1 0 295.408 2.885 20 5 CFBDRO Cc1cc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])s1 ZINC000596223545 349832314 /nfs/dbraw/zinc/83/23/14/349832314.db2.gz SHCGQXCWEOCYCG-UHFFFAOYSA-N 1 0 269.370 2.861 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596336736 349868970 /nfs/dbraw/zinc/86/89/70/349868970.db2.gz SIQRDAQFARXDKM-VIFPVBQESA-N 1 0 298.774 2.928 20 5 CFBDRO C[C@@H](CCNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000596428731 349900612 /nfs/dbraw/zinc/90/06/12/349900612.db2.gz HNONSMAIQOXCKX-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000127121125 187284759 /nfs/dbraw/zinc/28/47/59/187284759.db2.gz MQJQDIOMRBCKGJ-GFCCVEGCSA-N 1 0 274.324 2.532 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)c1 ZINC000596433846 349901461 /nfs/dbraw/zinc/90/14/61/349901461.db2.gz UTUQVTCEOQMBDG-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000074744537 347030558 /nfs/dbraw/zinc/03/05/58/347030558.db2.gz NICQFCWAMWSOPD-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO CCC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074745253 347030627 /nfs/dbraw/zinc/03/06/27/347030627.db2.gz KYDCJTKZMZBZOD-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000075061467 347052286 /nfs/dbraw/zinc/05/22/86/347052286.db2.gz XUVOKRMTXHIEHH-OCCSQVGLSA-N 1 0 275.352 2.576 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000596543299 349936675 /nfs/dbraw/zinc/93/66/75/349936675.db2.gz RHNXCTAACYNJTF-UHFFFAOYSA-N 1 0 297.403 2.652 20 5 CFBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596551642 349939366 /nfs/dbraw/zinc/93/93/66/349939366.db2.gz HPGCMYKEEAVUQF-CQSZACIVSA-N 1 0 298.346 2.676 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000596558115 349941694 /nfs/dbraw/zinc/94/16/94/349941694.db2.gz NQXXYASJJJJMHB-HNNXBMFYSA-N 1 0 298.346 2.676 20 5 CFBDRO Cc1cccnc1CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295123935 199357859 /nfs/dbraw/zinc/35/78/59/199357859.db2.gz XQPCRQKOOSWNCQ-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016880845 346239184 /nfs/dbraw/zinc/23/91/84/346239184.db2.gz HFSZLKADVKANGY-NSHDSACASA-N 1 0 292.335 2.693 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026159270 346264053 /nfs/dbraw/zinc/26/40/53/346264053.db2.gz SMZNJBACUMUFCM-GFCCVEGCSA-N 1 0 291.351 2.655 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccccc2)cc1 ZINC000035677588 346321366 /nfs/dbraw/zinc/32/13/66/346321366.db2.gz FVUCJWNYDYBQSF-UHFFFAOYSA-N 1 0 270.332 2.970 20 5 CFBDRO Cc1c(NC(=O)C2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000037029858 346325995 /nfs/dbraw/zinc/32/59/95/346325995.db2.gz FTQFKZGNNDOHEY-UHFFFAOYSA-N 1 0 277.324 2.503 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000039367131 346343445 /nfs/dbraw/zinc/34/34/45/346343445.db2.gz VPDBFTXQWHLCJI-WBMJQRKESA-N 1 0 286.331 2.807 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000046091872 346419722 /nfs/dbraw/zinc/41/97/22/346419722.db2.gz ZNUMOXUFMSHIME-GFCCVEGCSA-N 1 0 276.336 2.596 20 5 CFBDRO C[NH2+]C[C@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596654985 349969732 /nfs/dbraw/zinc/96/97/32/349969732.db2.gz OYXBYAVAFZROHF-GUYCJALGSA-N 1 0 299.374 2.882 20 5 CFBDRO CCC[C@@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596654923 349969736 /nfs/dbraw/zinc/96/97/36/349969736.db2.gz RMMBTACSAGBWNZ-DSSZZKGTSA-N 1 0 289.379 2.778 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CCOC1 ZINC000052072612 346512905 /nfs/dbraw/zinc/51/29/05/346512905.db2.gz IKORFNNPDJQPQS-CYBMUJFWSA-N 1 0 278.352 2.762 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCCC3)CC2)cs1 ZINC000054174265 346561844 /nfs/dbraw/zinc/56/18/44/346561844.db2.gz XVRRPFMNJJCHHY-UHFFFAOYSA-N 1 0 295.408 2.717 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000060333537 346662336 /nfs/dbraw/zinc/66/23/36/346662336.db2.gz YSVXQSUGZKSNQH-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000060333542 346662451 /nfs/dbraw/zinc/66/24/51/346662451.db2.gz PTQFUJVXGIOEET-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1csc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000057399177 346626140 /nfs/dbraw/zinc/62/61/40/346626140.db2.gz DWIPVLDCEHJNKW-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000066796556 346779864 /nfs/dbraw/zinc/77/98/64/346779864.db2.gz GFSYCQSKHRBRNR-AWEZNQCLSA-N 1 0 298.346 2.676 20 5 CFBDRO C[C@@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076110760 347121434 /nfs/dbraw/zinc/12/14/34/347121434.db2.gz VKRZOTJNDXYIMH-VXGBXAGGSA-N 1 0 264.325 2.561 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000078576425 347262486 /nfs/dbraw/zinc/26/24/86/347262486.db2.gz DQXYOTWIEWBKSH-ZDUSSCGKSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000078575667 347262596 /nfs/dbraw/zinc/26/25/96/347262596.db2.gz CZVZBSJYMRXRFR-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000078575072 347262831 /nfs/dbraw/zinc/26/28/31/347262831.db2.gz NFDARBKOXTTWLM-AWEZNQCLSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000078630360 347266233 /nfs/dbraw/zinc/26/62/33/347266233.db2.gz SHJYLTHWXTWKBB-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605372 347368750 /nfs/dbraw/zinc/36/87/50/347368750.db2.gz CMBLDEKYPQADEU-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000080611252 347369694 /nfs/dbraw/zinc/36/96/94/347369694.db2.gz KXLOTLCXBZKQFL-CQSZACIVSA-N 1 0 275.352 2.578 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170420 347449341 /nfs/dbraw/zinc/44/93/41/347449341.db2.gz RSIQKAFDZIEEBC-VIFPVBQESA-N 1 0 263.297 2.966 20 5 CFBDRO CC1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000087044842 347490871 /nfs/dbraw/zinc/49/08/71/347490871.db2.gz RVZXUOMPADSFFU-UHFFFAOYSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000091484280 347590450 /nfs/dbraw/zinc/59/04/50/347590450.db2.gz OKHPIOWYHBZYJW-SMDDNHRTSA-N 1 0 263.341 2.514 20 5 CFBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCCC1 ZINC000092607789 347634392 /nfs/dbraw/zinc/63/43/92/347634392.db2.gz AFXUKAJDABJRGB-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCCC1 ZINC000092607790 347634562 /nfs/dbraw/zinc/63/45/62/347634562.db2.gz AFXUKAJDABJRGB-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCC2)c1 ZINC000097635437 347710429 /nfs/dbraw/zinc/71/04/29/347710429.db2.gz XNBIZKGMZDFKRP-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000114771120 347775136 /nfs/dbraw/zinc/77/51/36/347775136.db2.gz QVXGBODPNWXDLB-NSHDSACASA-N 1 0 290.319 2.715 20 5 CFBDRO C[C@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000114771399 347775169 /nfs/dbraw/zinc/77/51/69/347775169.db2.gz WISAEYSMEITJDI-NSHDSACASA-N 1 0 290.319 2.715 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000111253867 347752953 /nfs/dbraw/zinc/75/29/53/347752953.db2.gz QIYYHERKCSSLSD-LBPRGKRZSA-N 1 0 266.341 2.952 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(C)CC2)n1 ZINC000120431309 347806945 /nfs/dbraw/zinc/80/69/45/347806945.db2.gz AEMABIZVWGQRGZ-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121440098 347811880 /nfs/dbraw/zinc/81/18/80/347811880.db2.gz XTXGZLAJCNQIQU-SGMGOOAPSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000122026049 347814145 /nfs/dbraw/zinc/81/41/45/347814145.db2.gz VKIYQSPIXFMEDF-NSHDSACASA-N 1 0 266.341 2.572 20 5 CFBDRO C[C@H](O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603431 347816606 /nfs/dbraw/zinc/81/66/06/347816606.db2.gz SRPXISZKRDQJFQ-QWRGUYRKSA-N 1 0 298.770 2.841 20 5 CFBDRO CCC[C@H]([NH2+]CC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000126813087 347836940 /nfs/dbraw/zinc/83/69/40/347836940.db2.gz UYMGPYZRFJOYEO-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130196671 347868729 /nfs/dbraw/zinc/86/87/29/347868729.db2.gz LSEDDCAWAFZXTK-GUTXKFCHSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H](CSC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000132643666 347886231 /nfs/dbraw/zinc/88/62/31/347886231.db2.gz XETQNRYNIJXDCH-LBPRGKRZSA-N 1 0 268.382 2.869 20 5 CFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000131908640 347881656 /nfs/dbraw/zinc/88/16/56/347881656.db2.gz OMVLSLQFJYHPDN-ONGXEEELSA-N 1 0 283.759 2.560 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000140823529 347927891 /nfs/dbraw/zinc/92/78/91/347927891.db2.gz PEVFMUNFPTYZQM-CQSZACIVSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157747696 348002740 /nfs/dbraw/zinc/00/27/40/348002740.db2.gz PVGNBBBTXQRWGG-QWRGUYRKSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000154575337 347980751 /nfs/dbraw/zinc/98/07/51/347980751.db2.gz IRHAMSSKIUBFDA-TZMCWYRMSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@H]1SCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000220691716 348170275 /nfs/dbraw/zinc/17/02/75/348170275.db2.gz JSEXMGRXSCUQQE-MFKMUULPSA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000235528297 348227817 /nfs/dbraw/zinc/22/78/17/348227817.db2.gz XKYVKYCJXRTXPF-DMDPSCGWSA-N 1 0 264.325 2.670 20 5 CFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000227649201 348189082 /nfs/dbraw/zinc/18/90/82/348189082.db2.gz WJFKRYYZJCEHCZ-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO CC[C@@H]([NH2+]C[C@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012337 179378885 /nfs/dbraw/zinc/37/88/85/179378885.db2.gz KDHVFAAPQBWAKW-ZIAGYGMSSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)SCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000306065356 348383674 /nfs/dbraw/zinc/38/36/74/348383674.db2.gz XZJGNHPMXYSBDK-UHFFFAOYSA-N 1 0 268.382 2.869 20 5 CFBDRO COc1cc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1C ZINC000312661569 348420519 /nfs/dbraw/zinc/42/05/19/348420519.db2.gz MIXCIDGYXPCEDV-UHFFFAOYSA-N 1 0 281.356 2.664 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1C)OC ZINC000322837673 348438288 /nfs/dbraw/zinc/43/82/88/348438288.db2.gz DXKQRGFQHZEEGX-CQSZACIVSA-N 1 0 266.341 2.808 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC)OC ZINC000322911204 348438469 /nfs/dbraw/zinc/43/84/69/348438469.db2.gz ITAMTRNMDBGMEE-CQSZACIVSA-N 1 0 282.340 2.508 20 5 CFBDRO C[NH+](C)CCSc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413180015 233030241 /nfs/dbraw/zinc/03/02/41/233030241.db2.gz DEGACTWZMISFJO-UHFFFAOYSA-N 1 0 277.349 2.797 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSCC1 ZINC000273426556 192146812 /nfs/dbraw/zinc/14/68/12/192146812.db2.gz SDASDJWMMHJPRZ-UHFFFAOYSA-N 1 0 266.366 2.842 20 5 CFBDRO C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404518718 348592653 /nfs/dbraw/zinc/59/26/53/348592653.db2.gz USPFNCWIWWCRFK-JQWIXIFHSA-N 1 0 283.397 2.606 20 5 CFBDRO O=[N+]([O-])c1ccsc1NCC12CCC[NH+]1CCC2 ZINC000588036812 348767999 /nfs/dbraw/zinc/76/79/99/348767999.db2.gz IJTBUFGSXYKZIN-UHFFFAOYSA-N 1 0 267.354 2.697 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000589198186 348818884 /nfs/dbraw/zinc/81/88/84/348818884.db2.gz PVMJKHZYRUCYKH-OQRGYWNNSA-N 1 0 290.363 2.701 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000589501681 348836151 /nfs/dbraw/zinc/83/61/51/348836151.db2.gz AWKFDORQDZXAHN-QWRGUYRKSA-N 1 0 292.335 2.612 20 5 CFBDRO CCOc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590569633 348910228 /nfs/dbraw/zinc/91/02/28/348910228.db2.gz POIKQDRMJWUFIJ-DGCLKSJQSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000590647198 348920280 /nfs/dbraw/zinc/92/02/80/348920280.db2.gz MMTMLOROIVKVOD-ZFWWWQNUSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000590970291 348974662 /nfs/dbraw/zinc/97/46/62/348974662.db2.gz IBIHHTLPXZSPFU-CABCVRRESA-N 1 0 288.347 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000590969008 348974743 /nfs/dbraw/zinc/97/47/43/348974743.db2.gz ZGONYARXNYQUDI-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO CC1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591136881 348991703 /nfs/dbraw/zinc/99/17/03/348991703.db2.gz AUIWVBFTNWCQJL-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444706 349022741 /nfs/dbraw/zinc/02/27/41/349022741.db2.gz IMPBMQCMBMQXDB-NWDGAFQWSA-N 1 0 293.342 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCCC[NH2+]1)CCC2 ZINC000591578039 349031939 /nfs/dbraw/zinc/03/19/39/349031939.db2.gz OYADWUIBLFHVQD-XJKSGUPXSA-N 1 0 289.379 2.704 20 5 CFBDRO C[C@@H]1CC2(C[N@@H+]1Cc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000591658935 349037497 /nfs/dbraw/zinc/03/74/97/349037497.db2.gz SRADMJKXBZSGEN-CYBMUJFWSA-N 1 0 289.379 2.559 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356134 349107817 /nfs/dbraw/zinc/10/78/17/349107817.db2.gz WZCOIRVRNCPFSN-NSHDSACASA-N 1 0 288.307 2.686 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592374996 349111436 /nfs/dbraw/zinc/11/14/36/349111436.db2.gz OZQQHRLENMSLAJ-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000414200012 233194260 /nfs/dbraw/zinc/19/42/60/233194260.db2.gz LHVDTUVCXFQILU-NEPJUHHUSA-N 1 0 266.341 2.918 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2(O)CC2)CC1 ZINC000593051873 349195017 /nfs/dbraw/zinc/19/50/17/349195017.db2.gz QHAGUIDTISMKDI-GFCCVEGCSA-N 1 0 290.363 2.893 20 5 CFBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593674189 349308552 /nfs/dbraw/zinc/30/85/52/349308552.db2.gz PGYZZWLDUPMDRJ-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)CCO ZINC000593693820 349310538 /nfs/dbraw/zinc/31/05/38/349310538.db2.gz FHIACMHWICFYNY-SRXBQZRASA-N 1 0 278.352 2.701 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593694750 349311275 /nfs/dbraw/zinc/31/12/75/349311275.db2.gz RJPJFHKSEJGMLV-GFCCVEGCSA-N 1 0 280.368 2.921 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)CCF)c2cc([N+](=O)[O-])ccc21 ZINC000593718492 349314746 /nfs/dbraw/zinc/31/47/46/349314746.db2.gz IBOQKOJLGZYAME-IINYFYTJSA-N 1 0 296.342 2.627 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000594502812 349433240 /nfs/dbraw/zinc/43/32/40/349433240.db2.gz PFTXJOIVZWXFRD-TYNCELHUSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc(CN2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000271201161 190993890 /nfs/dbraw/zinc/99/38/90/190993890.db2.gz UFFQXLBKUHKCDH-UHFFFAOYSA-N 1 0 289.379 2.573 20 5 CFBDRO COCC[C@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414479953 233265948 /nfs/dbraw/zinc/26/59/48/233265948.db2.gz JHNLQTCOKWKUAG-VGVVRCBHSA-N 1 0 278.352 2.870 20 5 CFBDRO Cc1cnc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000090692120 180024817 /nfs/dbraw/zinc/02/48/17/180024817.db2.gz IJZAPYZWWNHZFG-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO Cc1cnc(NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090691960 180024867 /nfs/dbraw/zinc/02/48/67/180024867.db2.gz FUCRKYSCXKRZPU-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)O1 ZINC000414517732 233278354 /nfs/dbraw/zinc/27/83/54/233278354.db2.gz RFRQGWOUPFYFJO-SCVCMEIPSA-N 1 0 282.315 2.637 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414563600 233293840 /nfs/dbraw/zinc/29/38/40/233293840.db2.gz DAKQIUUBJWMRAM-OCCSQVGLSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271308765 191064425 /nfs/dbraw/zinc/06/44/25/191064425.db2.gz WGEJPTUVQYUJOQ-HRLNJXSSSA-N 1 0 276.336 2.765 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000091395513 180146486 /nfs/dbraw/zinc/14/64/86/180146486.db2.gz NMOOAFGVVCNTMI-GFCCVEGCSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271321194 191071971 /nfs/dbraw/zinc/07/19/71/191071971.db2.gz DJOOIJXQUSRIRJ-TZMCWYRMSA-N 1 0 278.352 2.808 20 5 CFBDRO CO[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091772321 180249331 /nfs/dbraw/zinc/24/93/31/180249331.db2.gz VSYPCYHFNRVHRN-BTKRWWFXSA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000105454689 186057542 /nfs/dbraw/zinc/05/75/42/186057542.db2.gz IGEFXFZBDRECOR-UHFFFAOYSA-N 1 0 291.395 2.725 20 5 CFBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000414856720 233380421 /nfs/dbraw/zinc/38/04/21/233380421.db2.gz ZJQCFBSHYRRHCL-HNNXBMFYSA-N 1 0 277.368 2.592 20 5 CFBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959917 180292059 /nfs/dbraw/zinc/29/20/59/180292059.db2.gz QTEYNMBNUPVINV-DYEKYZERSA-N 1 0 277.368 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598683336 350310051 /nfs/dbraw/zinc/31/00/51/350310051.db2.gz RRMMKNZMMYWBRP-XEZPLFJOSA-N 1 0 289.379 2.777 20 5 CFBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000598614575 350294059 /nfs/dbraw/zinc/29/40/59/350294059.db2.gz LQXQSFQTKZPOOF-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO C[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000598954391 350348789 /nfs/dbraw/zinc/34/87/89/350348789.db2.gz DTIQOVGYPBAXDH-CYBMUJFWSA-N 1 0 277.368 2.557 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000598985535 350353986 /nfs/dbraw/zinc/35/39/86/350353986.db2.gz RNIUVBBHRLFMSS-GFCCVEGCSA-N 1 0 264.325 2.501 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OCC ZINC000598989660 350355106 /nfs/dbraw/zinc/35/51/06/350355106.db2.gz PURTWACRJMRMNR-CYBMUJFWSA-N 1 0 296.367 2.898 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598990283 350355749 /nfs/dbraw/zinc/35/57/49/350355749.db2.gz CDAHODFKDKMZRX-KEDPEKRHSA-N 1 0 292.379 2.995 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000599018041 350359595 /nfs/dbraw/zinc/35/95/95/350359595.db2.gz STVJWCATNROPCU-VDISTLRHSA-N 1 0 294.351 2.508 20 5 CFBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[C@@H](O)C2)ccc2cnccc21 ZINC000599079455 350371526 /nfs/dbraw/zinc/37/15/26/350371526.db2.gz KUMZBRJQZVVXOK-ZYHUDNBSSA-N 1 0 287.319 2.716 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599092241 350374291 /nfs/dbraw/zinc/37/42/91/350374291.db2.gz JMMDXXXNNGCNPJ-UXIGCNINSA-N 1 0 276.336 2.739 20 5 CFBDRO CCO[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599403609 350431479 /nfs/dbraw/zinc/43/14/79/350431479.db2.gz DURJDYQLMFDQAN-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000599627240 350467114 /nfs/dbraw/zinc/46/71/14/350467114.db2.gz VOWAERDBZACVEO-ZAZJYDDPSA-N 1 0 278.352 2.539 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092391949 180375519 /nfs/dbraw/zinc/37/55/19/180375519.db2.gz KNECDQQNLMHVEY-DGCLKSJQSA-N 1 0 266.341 2.571 20 5 CFBDRO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000107904462 186197349 /nfs/dbraw/zinc/19/73/49/186197349.db2.gz KWDCLZPWHHZBOM-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708817 350599281 /nfs/dbraw/zinc/59/92/81/350599281.db2.gz GODQZAQZYZOPAM-MBNYWOFBSA-N 1 0 277.368 2.694 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000109544640 186262098 /nfs/dbraw/zinc/26/20/98/186262098.db2.gz SMUXRWRBUMFSKD-SNVBAGLBSA-N 1 0 270.716 2.517 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000109333498 186247618 /nfs/dbraw/zinc/24/76/18/186247618.db2.gz NTPJWYLBXBUNGV-UHFFFAOYSA-N 1 0 266.341 2.843 20 5 CFBDRO C[NH2+]CCc1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600782106 350610642 /nfs/dbraw/zinc/61/06/42/350610642.db2.gz JWUXOCSBOKROJD-UHFFFAOYSA-N 1 0 286.331 2.516 20 5 CFBDRO Cc1cc(-c2ccc([N+](=O)[O-])nc2)cc2c1C[NH2+]CC2 ZINC000600788361 350612234 /nfs/dbraw/zinc/61/22/34/350612234.db2.gz INDCKMRXNCECQW-UHFFFAOYSA-N 1 0 269.304 2.611 20 5 CFBDRO COc1cc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000110793416 186325219 /nfs/dbraw/zinc/32/52/19/186325219.db2.gz OHMQYRKYWDEKHB-JTQLQIEISA-N 1 0 297.330 2.544 20 5 CFBDRO CCOc1cc(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000111048845 186348182 /nfs/dbraw/zinc/34/81/82/186348182.db2.gz HIRFBZFKKFLKKW-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCCC23CC3)c([N+](=O)[O-])cc1O ZINC000601137322 350679118 /nfs/dbraw/zinc/67/91/18/350679118.db2.gz AZIUOMUBDUCHRX-CQSZACIVSA-N 1 0 292.335 2.731 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000601149229 350682227 /nfs/dbraw/zinc/68/22/27/350682227.db2.gz HUYRILUVRSJTNF-MISXGVKJSA-N 1 0 264.325 2.559 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC([NH+]2CCCCC2)C1 ZINC000601157658 350684509 /nfs/dbraw/zinc/68/45/09/350684509.db2.gz CERQXVYWECYNGB-UHFFFAOYSA-N 1 0 294.330 2.558 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183732 350690875 /nfs/dbraw/zinc/69/08/75/350690875.db2.gz DPPCSEXWIYGLMN-MNOVXSKESA-N 1 0 295.770 2.636 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601192526 350693673 /nfs/dbraw/zinc/69/36/73/350693673.db2.gz YBLRHTLALGHLNQ-VIFPVBQESA-N 1 0 269.370 2.941 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601201062 350695465 /nfs/dbraw/zinc/69/54/65/350695465.db2.gz KLXWIEBGALBQMC-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000601288636 350717736 /nfs/dbraw/zinc/71/77/36/350717736.db2.gz ACZAJBBDRISYQD-AAEUAGOBSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1c(CN2CCCCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000601324514 350723751 /nfs/dbraw/zinc/72/37/51/350723751.db2.gz PGFSXBPQAMLQGF-CQSZACIVSA-N 1 0 277.368 2.607 20 5 CFBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000446854968 535154512 /nfs/dbraw/zinc/15/45/12/535154512.db2.gz DZUZQEZMGFXLDP-UHFFFAOYSA-N 1 0 274.324 2.751 20 5 CFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CC12CC(C1)C[NH2+]2 ZINC000602017618 350833082 /nfs/dbraw/zinc/83/30/82/350833082.db2.gz PKAWRALJVOBCIK-UHFFFAOYSA-N 1 0 289.379 2.557 20 5 CFBDRO COc1ccc(C[N@H+](C)CC2CCC2)cc1[N+](=O)[O-] ZINC000111298267 186391707 /nfs/dbraw/zinc/39/17/07/186391707.db2.gz OAWIPJLDNCPCFX-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(O)cc2)cc1 ZINC000602528042 350914968 /nfs/dbraw/zinc/91/49/68/350914968.db2.gz MCKSPTSOKTZERZ-UHFFFAOYSA-N 1 0 286.331 2.675 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CCC3)nc2c1 ZINC000602529961 350915705 /nfs/dbraw/zinc/91/57/05/350915705.db2.gz RMXFXAXBTSPNDW-UHFFFAOYSA-N 1 0 261.281 2.626 20 5 CFBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602556367 350923023 /nfs/dbraw/zinc/92/30/23/350923023.db2.gz DMZZNXDANQRLLE-OCCSQVGLSA-N 1 0 280.368 2.524 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602556368 350923063 /nfs/dbraw/zinc/92/30/63/350923063.db2.gz DMZZNXDANQRLLE-TZMCWYRMSA-N 1 0 280.368 2.524 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(C2CC2)no1 ZINC000602560204 350924052 /nfs/dbraw/zinc/92/40/52/350924052.db2.gz WXFNWQPHCJEKPG-UHFFFAOYSA-N 1 0 287.319 2.793 20 5 CFBDRO CCC(CC)(CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602562659 350925128 /nfs/dbraw/zinc/92/51/28/350925128.db2.gz XNNAAHUUTWOGHF-UHFFFAOYSA-N 1 0 294.395 2.916 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602436038 350881841 /nfs/dbraw/zinc/88/18/41/350881841.db2.gz UITUXHXQLPTIST-AWEZNQCLSA-N 1 0 286.335 2.665 20 5 CFBDRO C[C@@H](C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602456624 350889534 /nfs/dbraw/zinc/88/95/34/350889534.db2.gz BDSAYEPIEINKKR-LBPRGKRZSA-N 1 0 288.351 2.564 20 5 CFBDRO Cn1cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602686083 350978381 /nfs/dbraw/zinc/97/83/81/350978381.db2.gz OFPKAHSPRLEUKB-LLVKDONJSA-N 1 0 280.372 2.586 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CS1 ZINC000602690038 350980502 /nfs/dbraw/zinc/98/05/02/350980502.db2.gz JNTLNUDBUAIEHS-IUCAKERBSA-N 1 0 293.348 2.720 20 5 CFBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OCC1CC1 ZINC000602688797 350980596 /nfs/dbraw/zinc/98/05/96/350980596.db2.gz DDINOPXGCPPYPG-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000602691857 350981343 /nfs/dbraw/zinc/98/13/43/350981343.db2.gz URUUVSXDYKCUOG-HUUCEWRRSA-N 1 0 280.368 2.522 20 5 CFBDRO CC(C)(C)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602705574 350990322 /nfs/dbraw/zinc/99/03/22/350990322.db2.gz ILOLBSDUSUVRHO-CQSZACIVSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H]1C[C@@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602606912 350943911 /nfs/dbraw/zinc/94/39/11/350943911.db2.gz HOZAYIQVODPRFU-ZFWWWQNUSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602771607 351020184 /nfs/dbraw/zinc/02/01/84/351020184.db2.gz GAHNZVBXSODMRJ-QWRGUYRKSA-N 1 0 280.372 2.727 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cnccn2)C2CC2)c1 ZINC000602784271 351023243 /nfs/dbraw/zinc/02/32/43/351023243.db2.gz MRXHTVIKHDNRDX-UHFFFAOYSA-N 1 0 298.346 2.592 20 5 CFBDRO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602787155 351024517 /nfs/dbraw/zinc/02/45/17/351024517.db2.gz IEVZGVFHDQPCTM-UHFFFAOYSA-N 1 0 280.372 2.871 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000602796743 351028139 /nfs/dbraw/zinc/02/81/39/351028139.db2.gz CLDICIWFXFQGCG-YABSGUDNSA-N 1 0 280.372 2.514 20 5 CFBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602802568 351031668 /nfs/dbraw/zinc/03/16/68/351031668.db2.gz QHVNUNQMYGVBCW-ZDUSSCGKSA-N 1 0 274.324 2.569 20 5 CFBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000602836491 351041129 /nfs/dbraw/zinc/04/11/29/351041129.db2.gz FWCKANQTRHYEPB-SDDRHHMPSA-N 1 0 280.372 2.633 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000602838036 351041344 /nfs/dbraw/zinc/04/13/44/351041344.db2.gz RRHXCZJMGRWMIM-MBNYWOFBSA-N 1 0 294.399 2.904 20 5 CFBDRO C[C@H]1OCC[C@@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602842438 351043193 /nfs/dbraw/zinc/04/31/93/351043193.db2.gz VECWPPOHQSBVAU-VXGBXAGGSA-N 1 0 278.352 2.845 20 5 CFBDRO CC[N@H+]1[C@H](C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602872905 351053900 /nfs/dbraw/zinc/05/39/00/351053900.db2.gz CQVZGGNYCQKQMU-OKILXGFUSA-N 1 0 291.395 2.552 20 5 CFBDRO Cn1cc(C[N@@H+]2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])n1 ZINC000602904000 351061133 /nfs/dbraw/zinc/06/11/33/351061133.db2.gz HFACPFZCGKGSGY-AWEZNQCLSA-N 1 0 292.383 2.873 20 5 CFBDRO Cn1cc(C[N@@H+]2CC(C)(C)CCC2(C)C)c([N+](=O)[O-])n1 ZINC000602915722 351064008 /nfs/dbraw/zinc/06/40/08/351064008.db2.gz JMIWKZCSOAWYFD-UHFFFAOYSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000603056025 351096022 /nfs/dbraw/zinc/09/60/22/351096022.db2.gz PTRRADFMRRSMBX-LLVKDONJSA-N 1 0 282.388 2.714 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2N)cc1[N+](=O)[O-] ZINC000603426873 351162615 /nfs/dbraw/zinc/16/26/15/351162615.db2.gz QXFIMKVIGKFRHW-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609354073 351497757 /nfs/dbraw/zinc/49/77/57/351497757.db2.gz JIILEVNPGYHQDS-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000609385919 351500200 /nfs/dbraw/zinc/50/02/00/351500200.db2.gz HEJDMHHPSKNSLM-LBPRGKRZSA-N 1 0 295.358 2.696 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000609133700 351486732 /nfs/dbraw/zinc/48/67/32/351486732.db2.gz VJORXTMCOJQVQY-OAHLLOKOSA-N 1 0 276.336 2.848 20 5 CFBDRO COCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417302301 233682922 /nfs/dbraw/zinc/68/29/22/233682922.db2.gz QYPKVYZRWAFHTB-OAHLLOKOSA-N 1 0 278.352 2.988 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000609707975 351516565 /nfs/dbraw/zinc/51/65/65/351516565.db2.gz SDIRBRKREHOPEF-NSHDSACASA-N 1 0 280.368 2.967 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])s1 ZINC000610514731 351575562 /nfs/dbraw/zinc/57/55/62/351575562.db2.gz UNXZCXLZBASHKT-SECBINFHSA-N 1 0 257.359 2.799 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000610821175 351612574 /nfs/dbraw/zinc/61/25/74/351612574.db2.gz VQYGPQXHUXOKQK-LLVKDONJSA-N 1 0 274.324 2.786 20 5 CFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000610582720 351583764 /nfs/dbraw/zinc/58/37/64/351583764.db2.gz RPPCMGKWZBIYBS-UHFFFAOYSA-N 1 0 261.281 2.720 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000610664846 351590391 /nfs/dbraw/zinc/59/03/91/351590391.db2.gz AVWJCGBECLVGPE-GMXVVIOVSA-N 1 0 280.372 2.514 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000610755095 351604150 /nfs/dbraw/zinc/60/41/50/351604150.db2.gz DUFRLSOZQCQXRK-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000610804163 351609635 /nfs/dbraw/zinc/60/96/35/351609635.db2.gz FXYBPKLEQBAZNM-OLZOCXBDSA-N 1 0 277.368 2.648 20 5 CFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000611116280 351641911 /nfs/dbraw/zinc/64/19/11/351641911.db2.gz VMBFSUFNXJEFGL-GFCCVEGCSA-N 1 0 295.408 2.824 20 5 CFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCCCCC1)OCCO2 ZINC000611249428 351657194 /nfs/dbraw/zinc/65/71/94/351657194.db2.gz JOGMRQNHLDNJJX-UHFFFAOYSA-N 1 0 292.335 2.742 20 5 CFBDRO CC1(C)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271386 351660752 /nfs/dbraw/zinc/66/07/52/351660752.db2.gz PSAIJCOFICXPSL-UHFFFAOYSA-N 1 0 292.335 2.598 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000610987973 351629041 /nfs/dbraw/zinc/62/90/41/351629041.db2.gz KMTRUNXVZCQJIC-SNVBAGLBSA-N 1 0 297.305 2.769 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000611412824 351685845 /nfs/dbraw/zinc/68/58/45/351685845.db2.gz JAMCUKGNONZRDQ-NSHDSACASA-N 1 0 281.381 2.578 20 5 CFBDRO C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000611413136 351686122 /nfs/dbraw/zinc/68/61/22/351686122.db2.gz UEHYNJVQJGOIBX-DTWKUNHWSA-N 1 0 255.343 2.551 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC=CCC2)cc1 ZINC000611517338 351702883 /nfs/dbraw/zinc/70/28/83/351702883.db2.gz RHUOSTUWJPWOEV-UHFFFAOYSA-N 1 0 262.309 2.626 20 5 CFBDRO CC[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337490 351670039 /nfs/dbraw/zinc/67/00/39/351670039.db2.gz SXESCBDQSCSLQL-ZFWWWQNUSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C2CSC2)cc1[N+](=O)[O-] ZINC000611564147 351709689 /nfs/dbraw/zinc/70/96/89/351709689.db2.gz PFNXQRULKGFGIG-SECBINFHSA-N 1 0 252.339 2.669 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611616556 351714590 /nfs/dbraw/zinc/71/45/90/351714590.db2.gz ZRHRHMGEDMBYPQ-ZDUSSCGKSA-N 1 0 292.383 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(C3CC3)CC2)cc1 ZINC000612478779 351825047 /nfs/dbraw/zinc/82/50/47/351825047.db2.gz DWKDAYQNPKVWAF-UHFFFAOYSA-N 1 0 276.336 2.896 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000122269292 187023224 /nfs/dbraw/zinc/02/32/24/187023224.db2.gz VIFGBPLMEJEFOF-UWVGGRQHSA-N 1 0 279.315 2.771 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122264156 187023340 /nfs/dbraw/zinc/02/33/40/187023340.db2.gz IIVUNZMOFDFLRM-MWLCHTKSSA-N 1 0 279.315 2.771 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+](C)C ZINC000291771869 198087384 /nfs/dbraw/zinc/08/73/84/198087384.db2.gz HKQFSMWXVZKDRG-JTQLQIEISA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123643956 187102291 /nfs/dbraw/zinc/10/22/91/187102291.db2.gz CNASNPKRHUDGTP-ZYHUDNBSSA-N 1 0 283.397 2.571 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123742012 187107253 /nfs/dbraw/zinc/10/72/53/187107253.db2.gz BLCAFDOTUKYIEI-RISCZKNCSA-N 1 0 296.342 2.859 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CCC2)c(F)c1 ZINC000613175391 351909718 /nfs/dbraw/zinc/90/97/18/351909718.db2.gz UHILDUHOFVKHAG-UHFFFAOYSA-N 1 0 282.315 2.640 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)ncn1 ZINC000615726137 352236003 /nfs/dbraw/zinc/23/60/03/352236003.db2.gz YRNMHSQGIYKFJI-WUXMJOGZSA-N 1 0 298.346 2.886 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271473069 191158954 /nfs/dbraw/zinc/15/89/54/191158954.db2.gz JHQUQCRKUALLSS-NSHDSACASA-N 1 0 274.324 2.786 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000132788789 187647393 /nfs/dbraw/zinc/64/73/93/187647393.db2.gz VSDGBDUMWFWSIH-AAEUAGOBSA-N 1 0 266.341 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000616051825 352278003 /nfs/dbraw/zinc/27/80/03/352278003.db2.gz KCGKXTPRYNNCBO-INIZCTEOSA-N 1 0 292.379 2.668 20 5 CFBDRO COCCCOCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271488011 191169345 /nfs/dbraw/zinc/16/93/45/191169345.db2.gz HNMIWOSKZAHCHU-ZDUSSCGKSA-N 1 0 296.367 2.641 20 5 CFBDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000616357150 352333893 /nfs/dbraw/zinc/33/38/93/352333893.db2.gz WGABYDMVFRCOIU-JTQLQIEISA-N 1 0 274.324 2.786 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000271547647 191204623 /nfs/dbraw/zinc/20/46/23/191204623.db2.gz RSLQTMLCESTNRV-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000617491645 352572469 /nfs/dbraw/zinc/57/24/69/352572469.db2.gz CGGLGFMZWDRBSS-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271576492 191222483 /nfs/dbraw/zinc/22/24/83/191222483.db2.gz ZYGMYEIAHWGTRU-RKDXNWHRSA-N 1 0 272.732 2.761 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CC2)n1 ZINC000618571884 352814965 /nfs/dbraw/zinc/81/49/65/352814965.db2.gz KLTRZUHUARUZSF-OLZOCXBDSA-N 1 0 278.356 2.665 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000618579304 352818180 /nfs/dbraw/zinc/81/81/80/352818180.db2.gz LTKUKTCXJDMFGL-OFQRWUPVSA-N 1 0 290.363 2.683 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000619158273 352968243 /nfs/dbraw/zinc/96/82/43/352968243.db2.gz LLJAFDNVWUUWKL-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000619588253 353038156 /nfs/dbraw/zinc/03/81/56/353038156.db2.gz UAGGBEDEVZBZIJ-UHFFFAOYSA-N 1 0 269.370 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)nc2c1 ZINC000153219164 188071407 /nfs/dbraw/zinc/07/14/07/188071407.db2.gz SCOONTCKQHJXGO-PHIMTYICSA-N 1 0 287.319 2.968 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000153931094 188112469 /nfs/dbraw/zinc/11/24/69/188112469.db2.gz LXNGJPPMWDMXLH-PSASIEDQSA-N 1 0 296.758 2.680 20 5 CFBDRO CC(C)[C@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358259 198258004 /nfs/dbraw/zinc/25/80/04/198258004.db2.gz FQDLOXVZKKOANF-LSDHHAIUSA-N 1 0 292.379 2.995 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000154213435 188128984 /nfs/dbraw/zinc/12/89/84/188128984.db2.gz GCSZFMRGRXBYME-NEPJUHHUSA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000154367921 188137855 /nfs/dbraw/zinc/13/78/55/188137855.db2.gz SLOFZRBGJGLDPI-UHOFOFEASA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154370020 188138962 /nfs/dbraw/zinc/13/89/62/188138962.db2.gz QEDKQJNGJORFMC-MRXNPFEDSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154536658 188148670 /nfs/dbraw/zinc/14/86/70/188148670.db2.gz ADKSFLGKJMFKPG-SMDDNHRTSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000156418709 188260860 /nfs/dbraw/zinc/26/08/60/188260860.db2.gz VAZIXODIPXVRED-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000157220477 188304172 /nfs/dbraw/zinc/30/41/72/188304172.db2.gz XJZHIDHIBZAIHG-WCQGTBRESA-N 1 0 266.341 2.571 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000157536131 188324181 /nfs/dbraw/zinc/32/41/81/188324181.db2.gz GRMXWWYLEJRYII-HNNXBMFYSA-N 1 0 286.335 2.628 20 5 CFBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157941367 188347906 /nfs/dbraw/zinc/34/79/06/188347906.db2.gz QEZCCFZEXOGMCX-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H](O)C23CCCC3)cccc1[N+](=O)[O-] ZINC000292698062 198381087 /nfs/dbraw/zinc/38/10/87/198381087.db2.gz KPFYYIOWDWFISO-OAHLLOKOSA-N 1 0 290.363 2.783 20 5 CFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292931552 198465929 /nfs/dbraw/zinc/46/59/29/198465929.db2.gz GXXZPUZZLKFYQN-IZCBRDINSA-N 1 0 290.363 2.749 20 5 CFBDRO COC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271775956 191318053 /nfs/dbraw/zinc/31/80/53/191318053.db2.gz RKIJAGOGTWTPSR-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)ccc1F ZINC000271777291 191320016 /nfs/dbraw/zinc/32/00/16/191320016.db2.gz JZSVXMNOCIVAAL-LLVKDONJSA-N 1 0 292.314 2.590 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(CO)c1 ZINC000271851257 191366942 /nfs/dbraw/zinc/36/69/42/191366942.db2.gz CQWRXTBKSDKNSZ-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000174552973 188905537 /nfs/dbraw/zinc/90/55/37/188905537.db2.gz TXSJFCUPWCLCBC-LLVKDONJSA-N 1 0 296.367 2.897 20 5 CFBDRO C[C@H](CCCO)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294720255 199150527 /nfs/dbraw/zinc/15/05/27/199150527.db2.gz FLRXVQYYYYBBMP-FLUIGGAXSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422560809 237103250 /nfs/dbraw/zinc/10/32/50/237103250.db2.gz HQOKBVRUZXQMIH-YDHLFZDLSA-N 1 0 291.395 2.708 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000297671378 200257900 /nfs/dbraw/zinc/25/79/00/200257900.db2.gz LABNBVKDPWSZLX-WCQYABFASA-N 1 0 286.335 2.629 20 5 CFBDRO CCn1ccnc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000297668822 200258190 /nfs/dbraw/zinc/25/81/90/200258190.db2.gz KXLDSMSAUJCIGL-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177227993 189038446 /nfs/dbraw/zinc/03/84/46/189038446.db2.gz BZLHIXHBBGKPAI-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177431649 189050745 /nfs/dbraw/zinc/05/07/45/189050745.db2.gz QVYJBMQXFNSBFM-RYUDHWBXSA-N 1 0 293.367 2.501 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178670674 189135989 /nfs/dbraw/zinc/13/59/89/189135989.db2.gz ILGFCIYJVRNEOL-JQWIXIFHSA-N 1 0 266.341 2.836 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423364662 238408312 /nfs/dbraw/zinc/40/83/12/238408312.db2.gz CQXLRUSHOQFNNP-OBJOEFQTSA-N 1 0 277.368 2.552 20 5 CFBDRO C[C@H]([NH2+]CCCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000180455554 189256719 /nfs/dbraw/zinc/25/67/19/189256719.db2.gz BCFFKDGGONKNHS-LBPRGKRZSA-N 1 0 266.341 2.798 20 5 CFBDRO Cc1cnc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301555759 201067366 /nfs/dbraw/zinc/06/73/66/201067366.db2.gz IQHAHEBQOBXQLF-LLVKDONJSA-N 1 0 280.372 2.686 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000182329320 189320373 /nfs/dbraw/zinc/32/03/73/189320373.db2.gz AXXCBPNTVVAMBJ-HIFRSBDPSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1nc(NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301633682 201108346 /nfs/dbraw/zinc/10/83/46/201108346.db2.gz KCUNSDVJBWOXBP-LBPRGKRZSA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1nc(NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301615582 201096542 /nfs/dbraw/zinc/09/65/42/201096542.db2.gz BMTYFRAIYIPPPU-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184257802 189381518 /nfs/dbraw/zinc/38/15/18/189381518.db2.gz GPXNGVDADQCZQE-UHFFFAOYSA-N 1 0 256.277 2.584 20 5 CFBDRO CO[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000425416145 239052986 /nfs/dbraw/zinc/05/29/86/239052986.db2.gz KAMDKWSSPMJEOH-MRXNPFEDSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1ccnc(NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302150740 201367656 /nfs/dbraw/zinc/36/76/56/201367656.db2.gz LWQJHBCOWBGIDJ-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000426473861 239228762 /nfs/dbraw/zinc/22/87/62/239228762.db2.gz RQBUKQJZVVIFKO-DOMZBBRYSA-N 1 0 276.336 2.848 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188135140 189491266 /nfs/dbraw/zinc/49/12/66/189491266.db2.gz YWBMPYLBHKXWKT-RISCZKNCSA-N 1 0 278.352 2.540 20 5 CFBDRO COc1cc(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275378475 193014473 /nfs/dbraw/zinc/01/44/73/193014473.db2.gz AVCQHNQKJZIURP-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275809203 193135450 /nfs/dbraw/zinc/13/54/50/193135450.db2.gz FYDJMMAKDMROOX-HAQNSBGRSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1ccnc(NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443967926 241099983 /nfs/dbraw/zinc/09/99/83/241099983.db2.gz VXRSRJLFSHKEPK-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639948 241157322 /nfs/dbraw/zinc/15/73/22/241157322.db2.gz OEGVJYRTZBONRW-LLVKDONJSA-N 1 0 288.351 2.949 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)[NH+](C)C ZINC000444830861 241199718 /nfs/dbraw/zinc/19/97/18/241199718.db2.gz WJZDKPSPWVIUKG-SECBINFHSA-N 1 0 271.748 2.919 20 5 CFBDRO C[C@@](O)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000447537645 241380467 /nfs/dbraw/zinc/38/04/67/241380467.db2.gz XLJDLOJFZUUUIQ-JKSUJKDBSA-N 1 0 290.363 2.723 20 5 CFBDRO CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447574409 241388175 /nfs/dbraw/zinc/38/81/75/241388175.db2.gz MZUROCHQNFTHJI-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000449208890 241767426 /nfs/dbraw/zinc/76/74/26/241767426.db2.gz PXRHPUKEXIIDQR-XFJVYGCCSA-N 1 0 290.363 2.683 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C)C1 ZINC000449216400 241772318 /nfs/dbraw/zinc/77/23/18/241772318.db2.gz RYUXJDSRDFECKP-BZPMIXESSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449576666 242041752 /nfs/dbraw/zinc/04/17/52/242041752.db2.gz AHMVHLOARRDQEY-HIFRSBDPSA-N 1 0 278.352 2.544 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000449592845 242055166 /nfs/dbraw/zinc/05/51/66/242055166.db2.gz ZBSNVQUIXDEDFP-AWEZNQCLSA-N 1 0 280.368 2.824 20 5 CFBDRO Cc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449524673 242003514 /nfs/dbraw/zinc/00/35/14/242003514.db2.gz OXUBJMOFOXYMQU-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1 ZINC000449549843 242022150 /nfs/dbraw/zinc/02/21/50/242022150.db2.gz AWHPMKPPOQEPAX-YCPHGPKFSA-N 1 0 290.363 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000449687446 242108400 /nfs/dbraw/zinc/10/84/00/242108400.db2.gz PNYLXUORBLBCEE-HNNXBMFYSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(F)c1 ZINC000449686130 242108805 /nfs/dbraw/zinc/10/88/05/242108805.db2.gz XLNASBSPJIGQME-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449764475 242146329 /nfs/dbraw/zinc/14/63/29/242146329.db2.gz BJPUCCXRJCXNGF-OCCSQVGLSA-N 1 0 292.379 2.921 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)[C@@H](O)CC ZINC000449637286 242086408 /nfs/dbraw/zinc/08/64/08/242086408.db2.gz GGHYHLRYOYRMHI-KGLIPLIRSA-N 1 0 296.367 2.633 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000451441557 242844535 /nfs/dbraw/zinc/84/45/35/242844535.db2.gz RYEDSCSDQJSLQO-LLVKDONJSA-N 1 0 268.361 2.633 20 5 CFBDRO COCC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000330638469 203067844 /nfs/dbraw/zinc/06/78/44/203067844.db2.gz CTAXOIHHPIMAEE-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO C[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330690222 203120990 /nfs/dbraw/zinc/12/09/90/203120990.db2.gz AMXPXIAZCNYRDG-STQMWFEESA-N 1 0 278.352 2.842 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276248269 193256498 /nfs/dbraw/zinc/25/64/98/193256498.db2.gz QGXONLJYUIXNDH-UHFFFAOYSA-N 1 0 257.721 2.658 20 5 CFBDRO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276319206 193286186 /nfs/dbraw/zinc/28/61/86/193286186.db2.gz OGCBACBFEHJWDJ-UHFFFAOYSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000276430439 193327274 /nfs/dbraw/zinc/32/72/74/193327274.db2.gz POUAPMZCSFBTMP-GRYCIOLGSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000459741796 245299750 /nfs/dbraw/zinc/29/97/50/245299750.db2.gz NXYHWULFYPXYNS-OCCSQVGLSA-N 1 0 264.325 2.560 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020087621 372227323 /nfs/dbraw/zinc/22/73/23/372227323.db2.gz SYBKKYKINPYPQK-QWRGUYRKSA-N 1 0 252.314 2.589 20 5 CFBDRO CCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026161840 372314297 /nfs/dbraw/zinc/31/42/97/372314297.db2.gz RCBALZAUQYZBHC-UHFFFAOYSA-N 1 0 279.340 2.655 20 5 CFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000035084598 372537159 /nfs/dbraw/zinc/53/71/59/372537159.db2.gz XLMXYSPPXKUEHG-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CC[C@H]([NH2+]CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000034959149 372522740 /nfs/dbraw/zinc/52/27/40/372522740.db2.gz AMXMHVGQGAKMCR-ZDUSSCGKSA-N 1 0 252.314 2.672 20 5 CFBDRO CCC(CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722098 372587234 /nfs/dbraw/zinc/58/72/34/372587234.db2.gz FNOXFHPOCGCIJJ-UHFFFAOYSA-N 1 0 252.314 2.882 20 5 CFBDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037140824 372654041 /nfs/dbraw/zinc/65/40/41/372654041.db2.gz KHKSYWACWIQDQS-LBPRGKRZSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037140810 372654198 /nfs/dbraw/zinc/65/41/98/372654198.db2.gz JZIINRVFIVYLOC-GFCCVEGCSA-N 1 0 289.379 2.872 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176926 372662777 /nfs/dbraw/zinc/66/27/77/372662777.db2.gz GVQGWQKJDMINGD-GFCCVEGCSA-N 1 0 265.357 2.587 20 5 CFBDRO CC(C)(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000037668462 372689368 /nfs/dbraw/zinc/68/93/68/372689368.db2.gz KUFBUPXGCCVTJI-UHFFFAOYSA-N 1 0 288.351 2.836 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000044656779 373006922 /nfs/dbraw/zinc/00/69/22/373006922.db2.gz RBYXQYHQULEUJR-LLVKDONJSA-N 1 0 252.314 2.672 20 5 CFBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000047611257 373108334 /nfs/dbraw/zinc/10/83/34/373108334.db2.gz IALPCJLMMRPUHZ-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000048054434 373141447 /nfs/dbraw/zinc/14/14/47/373141447.db2.gz WAMKWRWTLWKBAP-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000048993375 373245424 /nfs/dbraw/zinc/24/54/24/373245424.db2.gz MJJRPONCFKGOSR-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO CCOC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963786 373336711 /nfs/dbraw/zinc/33/67/11/373336711.db2.gz KFZVRSPNKKPGMQ-SECBINFHSA-N 1 0 272.732 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCOC2)c(Cl)c1 ZINC000049963494 373337685 /nfs/dbraw/zinc/33/76/85/373337685.db2.gz QIKOKYKQSSUCSG-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000052015333 373431490 /nfs/dbraw/zinc/43/14/90/373431490.db2.gz MAIWJFUJBPEAPS-QWHCGFSZSA-N 1 0 284.743 2.641 20 5 CFBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051554893 373397616 /nfs/dbraw/zinc/39/76/16/373397616.db2.gz SIJIOBLZHWBOTH-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051554894 373397839 /nfs/dbraw/zinc/39/78/39/373397839.db2.gz SIJIOBLZHWBOTH-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@H]2CCCO)cccc1[N+](=O)[O-] ZINC000052762457 373450373 /nfs/dbraw/zinc/45/03/73/373450373.db2.gz OSTMOYPDUMUCJG-CQSZACIVSA-N 1 0 278.352 2.640 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCSCC2)c1 ZINC000052926168 373458890 /nfs/dbraw/zinc/45/88/90/373458890.db2.gz ALSAYIKUCWBPPH-UHFFFAOYSA-N 1 0 252.339 2.580 20 5 CFBDRO Cc1ccc(CNC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057994322 373620897 /nfs/dbraw/zinc/62/08/97/373620897.db2.gz IUXFBIFTQUVVJH-ZDUSSCGKSA-N 1 0 291.395 2.725 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000062351298 373758730 /nfs/dbraw/zinc/75/87/30/373758730.db2.gz YCGXHEFKXBYDDT-HNNXBMFYSA-N 1 0 278.352 2.893 20 5 CFBDRO CCOc1cc(NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000336831637 220245343 /nfs/dbraw/zinc/24/53/43/220245343.db2.gz JTDCESGSCJHNGV-NSHDSACASA-N 1 0 281.356 2.603 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068449926 374029980 /nfs/dbraw/zinc/02/99/80/374029980.db2.gz RBXXKRUPEVEXMO-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000068449995 374030189 /nfs/dbraw/zinc/03/01/89/374030189.db2.gz ZQQIYLIHRRJTGO-VIFPVBQESA-N 1 0 299.758 2.917 20 5 CFBDRO Cc1c(CN2CCC[N@@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000069081749 374044593 /nfs/dbraw/zinc/04/45/93/374044593.db2.gz SKLLCANAQBGKEW-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289513681 197384758 /nfs/dbraw/zinc/38/47/58/197384758.db2.gz UWHAYIXWMBBLGB-NSHDSACASA-N 1 0 290.319 2.667 20 5 CFBDRO Cc1ccc(C[NH2+]CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000070167191 374133771 /nfs/dbraw/zinc/13/37/71/374133771.db2.gz QKODHLIHQYTWOX-UHFFFAOYSA-N 1 0 292.257 2.572 20 5 CFBDRO CC(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000071809394 374225639 /nfs/dbraw/zinc/22/56/39/374225639.db2.gz NRPCXOOXZNMKDK-UHFFFAOYSA-N 1 0 277.368 2.763 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072975181 374308170 /nfs/dbraw/zinc/30/81/70/374308170.db2.gz MYZBINJXMDSMEQ-CQSZACIVSA-N 1 0 278.352 2.843 20 5 CFBDRO CCC(CC)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000073756629 374380362 /nfs/dbraw/zinc/38/03/62/374380362.db2.gz ABGDXZLYTCXEAX-ZDUSSCGKSA-N 1 0 280.372 2.768 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000076003867 374521815 /nfs/dbraw/zinc/52/18/15/374521815.db2.gz SMUUVDHLSKLLHN-LBPRGKRZSA-N 1 0 297.424 2.820 20 5 CFBDRO Cc1ncsc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000088869864 374864319 /nfs/dbraw/zinc/86/43/19/374864319.db2.gz WXHKFVZBHLHXJN-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CCCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090516999 375017451 /nfs/dbraw/zinc/01/74/51/375017451.db2.gz JDPVCKOLZKNOES-UHFFFAOYSA-N 1 0 295.383 2.657 20 5 CFBDRO COC(=O)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000093383941 375226395 /nfs/dbraw/zinc/22/63/95/375226395.db2.gz XAGCXUOYDORQTJ-UHFFFAOYSA-N 1 0 294.351 2.677 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094948915 375394940 /nfs/dbraw/zinc/39/49/40/375394940.db2.gz UDRINCNBFMLLLN-QWHCGFSZSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094948458 375394949 /nfs/dbraw/zinc/39/49/49/375394949.db2.gz VDSIWKUZSCTKBE-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094948457 375395084 /nfs/dbraw/zinc/39/50/84/375395084.db2.gz VDSIWKUZSCTKBE-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000094473073 375363562 /nfs/dbraw/zinc/36/35/62/375363562.db2.gz VWTVNKQRZKTVHV-GXSJLCMTSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774802 375377593 /nfs/dbraw/zinc/37/75/93/375377593.db2.gz STFPBNHABUQNEE-ZDUSSCGKSA-N 1 0 295.358 2.650 20 5 CFBDRO CCOc1cc(NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000097934286 375588397 /nfs/dbraw/zinc/58/83/97/375588397.db2.gz OETPMTMWJPBCNT-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000499943761 247091826 /nfs/dbraw/zinc/09/18/26/247091826.db2.gz DXZNUUCGNIMYPW-QWRGUYRKSA-N 1 0 279.340 2.700 20 5 CFBDRO C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102418866 375674028 /nfs/dbraw/zinc/67/40/28/375674028.db2.gz QHVDYPUOSKSQSK-SNVBAGLBSA-N 1 0 292.360 2.794 20 5 CFBDRO COc1ccc(C[NH2+]CCOC2CCCC2)cc1[N+](=O)[O-] ZINC000111613473 375857692 /nfs/dbraw/zinc/85/76/92/375857692.db2.gz RIYUIJMWGRDYOH-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000119051445 376342339 /nfs/dbraw/zinc/34/23/39/376342339.db2.gz ISQYFYMOSCFLDY-UHFFFAOYSA-N 1 0 287.319 2.501 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264235976 383714593 /nfs/dbraw/zinc/71/45/93/383714593.db2.gz DDATWYRVJLGJLI-IINYFYTJSA-N 1 0 292.335 2.740 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129773981 377470915 /nfs/dbraw/zinc/47/09/15/377470915.db2.gz DMPXRIKOLHPFLS-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000130360088 377544752 /nfs/dbraw/zinc/54/47/52/377544752.db2.gz OGZQALOCHDBHNG-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131541137 377724875 /nfs/dbraw/zinc/72/48/75/377724875.db2.gz ZXWHSNJEJHPXPK-LBPRGKRZSA-N 1 0 266.341 2.980 20 5 CFBDRO COC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131921444 377778439 /nfs/dbraw/zinc/77/84/39/377778439.db2.gz NDUBLXFMVIKVLQ-GXSJLCMTSA-N 1 0 252.314 2.589 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000132789006 377877790 /nfs/dbraw/zinc/87/77/90/377877790.db2.gz VSDGBDUMWFWSIH-WCQYABFASA-N 1 0 266.341 2.715 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000133504373 377935905 /nfs/dbraw/zinc/93/59/05/377935905.db2.gz QVBCCFYTFRGXFT-DTWKUNHWSA-N 1 0 296.758 2.680 20 5 CFBDRO CCCCOCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000133823831 377960906 /nfs/dbraw/zinc/96/09/06/377960906.db2.gz GGVZZZBONZAQET-UHFFFAOYSA-N 1 0 272.370 2.953 20 5 CFBDRO Cc1cc(C)n(CCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000133824631 377960937 /nfs/dbraw/zinc/96/09/37/377960937.db2.gz DAOCEJUDUZFXFO-UHFFFAOYSA-N 1 0 294.380 2.650 20 5 CFBDRO CCOc1cccc(NC[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000134902825 378060383 /nfs/dbraw/zinc/06/03/83/378060383.db2.gz PYKNNXCTXYNGGT-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO CCOc1cccc(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000134914041 378061836 /nfs/dbraw/zinc/06/18/36/378061836.db2.gz ADSPNYOYYPBEJV-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO CC[C@H]([NH2+]CCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000135105080 378082527 /nfs/dbraw/zinc/08/25/27/378082527.db2.gz LNCOKPHHUKSHGS-AWEZNQCLSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000134488314 378022384 /nfs/dbraw/zinc/02/23/84/378022384.db2.gz PMFYLVAWXLZZMV-SECBINFHSA-N 1 0 270.354 2.561 20 5 CFBDRO CSC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000135383984 378126612 /nfs/dbraw/zinc/12/66/12/378126612.db2.gz GJYKDQKXRNOPTF-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO COCCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000151170710 378303291 /nfs/dbraw/zinc/30/32/91/378303291.db2.gz PTXMZPDUSXMMRK-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCSCCCO)cccc1[N+](=O)[O-] ZINC000151211192 378306885 /nfs/dbraw/zinc/30/68/85/378306885.db2.gz NCGKZQDBKFNBCM-GFCCVEGCSA-N 1 0 298.408 2.669 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151898491 378371140 /nfs/dbraw/zinc/37/11/40/378371140.db2.gz JSJUGDXDQXEJME-DOMZBBRYSA-N 1 0 292.379 2.524 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152904046 378457455 /nfs/dbraw/zinc/45/74/55/378457455.db2.gz MPKYGRLYYOCZCI-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000153101058 378473611 /nfs/dbraw/zinc/47/36/11/378473611.db2.gz VQEUOOZZSRCVGZ-AAEUAGOBSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N(C)C ZINC000152611897 378433025 /nfs/dbraw/zinc/43/30/25/378433025.db2.gz JBFUMIJAEHALKL-LBPRGKRZSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153944916 378526565 /nfs/dbraw/zinc/52/65/65/378526565.db2.gz LELIKZPJHGASRG-HNNXBMFYSA-N 1 0 276.336 2.516 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330382357 378540370 /nfs/dbraw/zinc/54/03/70/378540370.db2.gz IXWLMPBDSDBCHF-SUNKGSAMSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330382355 378540413 /nfs/dbraw/zinc/54/04/13/378540413.db2.gz IXWLMPBDSDBCHF-COPLHBTASA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331138794 378639105 /nfs/dbraw/zinc/63/91/05/378639105.db2.gz DONIUGSWDGPOIT-ZIAGYGMSSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295221 378664605 /nfs/dbraw/zinc/66/46/05/378664605.db2.gz SGRCUQQRGYXSGU-JMSVASOKSA-N 1 0 278.352 2.576 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331309986 378667164 /nfs/dbraw/zinc/66/71/64/378667164.db2.gz BQYRRCIJXAAKHQ-VXGBXAGGSA-N 1 0 291.351 2.796 20 5 CFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332247143 378739551 /nfs/dbraw/zinc/73/95/51/378739551.db2.gz XDFKVOGJAPZPBZ-AWEZNQCLSA-N 1 0 278.352 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H]1CCCCO1)CC2 ZINC000332574982 378777413 /nfs/dbraw/zinc/77/74/13/378777413.db2.gz CDBSASMOHOEBBK-MRXNPFEDSA-N 1 0 290.363 2.912 20 5 CFBDRO Cc1nc(F)ccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000278585924 194056863 /nfs/dbraw/zinc/05/68/63/194056863.db2.gz YZOGBBMIOXMSBK-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000278614954 194069504 /nfs/dbraw/zinc/06/95/04/194069504.db2.gz BUMFYQXQCRYCFQ-IUODEOHRSA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278634589 194077642 /nfs/dbraw/zinc/07/76/42/194077642.db2.gz GOSYJKSNOALAQK-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1cc(N[C@H](C)[C@@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167381888 379071407 /nfs/dbraw/zinc/07/14/07/379071407.db2.gz DOQHCIJJYIRPFC-GXSJLCMTSA-N 1 0 289.335 2.880 20 5 CFBDRO Cc1c(C[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000170766147 379150340 /nfs/dbraw/zinc/15/03/40/379150340.db2.gz YUYLJAGZAJHBEJ-NSHDSACASA-N 1 0 264.325 2.514 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000173947699 379805222 /nfs/dbraw/zinc/80/52/22/379805222.db2.gz PUZZXOQBPNIEGM-HNNXBMFYSA-N 1 0 291.395 2.901 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3ccccc3)CC2)n1 ZINC000176191081 380192106 /nfs/dbraw/zinc/19/21/06/380192106.db2.gz UZVJJKBOOVXRKU-UHFFFAOYSA-N 1 0 298.346 2.581 20 5 CFBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211738 380195677 /nfs/dbraw/zinc/19/56/77/380195677.db2.gz BSCCKULIEZGVDV-NSHDSACASA-N 1 0 292.314 2.623 20 5 CFBDRO Cc1ccc([C@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176210339 380196346 /nfs/dbraw/zinc/19/63/46/380196346.db2.gz LUTGXIKSPXMTLV-ZDUSSCGKSA-N 1 0 288.351 2.793 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246117 380201049 /nfs/dbraw/zinc/20/10/49/380201049.db2.gz DAJGJQLBTZYGOR-ZDUSSCGKSA-N 1 0 280.372 2.549 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+](C)C)n1 ZINC000178162974 380416956 /nfs/dbraw/zinc/41/69/56/380416956.db2.gz RZBRTXXUSPRNOF-GFCCVEGCSA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000178172463 380418625 /nfs/dbraw/zinc/41/86/25/380418625.db2.gz NLCBDUUUZFWUQK-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc(OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000178991499 380499909 /nfs/dbraw/zinc/49/99/09/380499909.db2.gz ZFQVZASIYWGORF-UHFFFAOYSA-N 1 0 264.325 2.768 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336787999 380634990 /nfs/dbraw/zinc/63/49/90/380634990.db2.gz GEHNSNABMJZSNQ-SECBINFHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336810067 380670080 /nfs/dbraw/zinc/67/00/80/380670080.db2.gz HAKCRKYQBVTCCO-SNVBAGLBSA-N 1 0 267.304 2.630 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000336814827 380676792 /nfs/dbraw/zinc/67/67/92/380676792.db2.gz YEGUNOCRXLFALB-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCCC[C@H]1C ZINC000264513970 383749543 /nfs/dbraw/zinc/74/95/43/383749543.db2.gz YKQSAFQKALKEDU-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000279165749 194313495 /nfs/dbraw/zinc/31/34/95/194313495.db2.gz UJCLDQNRQUSSEC-VXGBXAGGSA-N 1 0 296.367 2.805 20 5 CFBDRO CCC1(O)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353772050 380840625 /nfs/dbraw/zinc/84/06/25/380840625.db2.gz YKGMTKYDFVOBGP-ALCCZGGFSA-N 1 0 290.363 2.845 20 5 CFBDRO C[NH2+]C1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000347023089 380887853 /nfs/dbraw/zinc/88/78/53/380887853.db2.gz PIWBDVYVWWCMCV-UHFFFAOYSA-N 1 0 291.395 2.902 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353851438 380900706 /nfs/dbraw/zinc/90/07/06/380900706.db2.gz QMEXSKNQBWGSJH-BXUZGUMPSA-N 1 0 278.352 2.572 20 5 CFBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000368076342 380913883 /nfs/dbraw/zinc/91/38/83/380913883.db2.gz UQNWRBQPZSTYRP-OAHLLOKOSA-N 1 0 296.342 2.574 20 5 CFBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000341304541 380920254 /nfs/dbraw/zinc/92/02/54/380920254.db2.gz QFUSNEZMAVHHLY-AVGNSLFASA-N 1 0 280.368 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[NH+]2CCCC2)c1 ZINC000295620925 380978778 /nfs/dbraw/zinc/97/87/78/380978778.db2.gz WHCWVOGHQAKIBY-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000368396819 381011908 /nfs/dbraw/zinc/01/19/08/381011908.db2.gz HIDUHAPRHCVCEC-XYPWUTKMSA-N 1 0 290.363 2.515 20 5 CFBDRO CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000411474141 381029789 /nfs/dbraw/zinc/02/97/89/381029789.db2.gz LCMAVZFRAIXMPY-CQSZACIVSA-N 1 0 293.367 2.502 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000358677788 381007372 /nfs/dbraw/zinc/00/73/72/381007372.db2.gz LPJQLCUMHNZEGG-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000341554120 381084321 /nfs/dbraw/zinc/08/43/21/381084321.db2.gz GZXCRPARDMSALD-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000412021787 381095496 /nfs/dbraw/zinc/09/54/96/381095496.db2.gz NMYBRUZQBUVDJT-SNVBAGLBSA-N 1 0 282.315 2.781 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412023247 381097298 /nfs/dbraw/zinc/09/72/98/381097298.db2.gz WWEQJQVKROQQRD-LLVKDONJSA-N 1 0 264.325 2.642 20 5 CFBDRO CCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000341709343 381184058 /nfs/dbraw/zinc/18/40/58/381184058.db2.gz FQLJOJCWLVGTIF-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000182995289 381195232 /nfs/dbraw/zinc/19/52/32/381195232.db2.gz XHUINEDNBNMNQR-SWLSCSKDSA-N 1 0 278.352 2.811 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000183296717 381251829 /nfs/dbraw/zinc/25/18/29/381251829.db2.gz BIXBJKPBJLPXKU-GFCCVEGCSA-N 1 0 278.352 2.903 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)n1 ZINC000359086012 381257480 /nfs/dbraw/zinc/25/74/80/381257480.db2.gz UXTCLFUOYZIFMY-UHFFFAOYSA-N 1 0 292.383 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000369467103 381267874 /nfs/dbraw/zinc/26/78/74/381267874.db2.gz LETOEIXJLXAWCW-LSDHHAIUSA-N 1 0 276.336 2.738 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347562444 381222609 /nfs/dbraw/zinc/22/26/09/381222609.db2.gz OHUANDZMKJWELN-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@H](CO)C1 ZINC000342235876 381228293 /nfs/dbraw/zinc/22/82/93/381228293.db2.gz CBBMCAWVXVNXNM-KBPBESRZSA-N 1 0 292.379 2.792 20 5 CFBDRO COc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296059710 381236308 /nfs/dbraw/zinc/23/63/08/381236308.db2.gz PEYOTPKFJOSNIC-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000342274999 381240491 /nfs/dbraw/zinc/24/04/91/381240491.db2.gz IUACHFHFJNGFJO-GHMZBOCLSA-N 1 0 298.314 2.592 20 5 CFBDRO CC[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000296067965 381241585 /nfs/dbraw/zinc/24/15/85/381241585.db2.gz QXNKHWSFVLUOKJ-NSHDSACASA-N 1 0 288.351 2.883 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCOC1 ZINC000342284737 381246256 /nfs/dbraw/zinc/24/62/56/381246256.db2.gz FRMWJUVCYQWSON-ICDLMJIXSA-N 1 0 276.336 2.767 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+](C)C(C)C)n1 ZINC000359112602 381272111 /nfs/dbraw/zinc/27/21/11/381272111.db2.gz XWLUYSXEVKPPLC-UHFFFAOYSA-N 1 0 280.372 2.749 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000369961849 381357080 /nfs/dbraw/zinc/35/70/80/381357080.db2.gz MDESQLNOVDFQSI-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCO ZINC000279460180 194441587 /nfs/dbraw/zinc/44/15/87/194441587.db2.gz JAMUPFPBMGSYKC-GFCCVEGCSA-N 1 0 298.408 2.828 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1 ZINC000359469889 381426082 /nfs/dbraw/zinc/42/60/82/381426082.db2.gz IAMOCWZQNDUJAF-UHFFFAOYSA-N 1 0 283.331 2.903 20 5 CFBDRO CC/C=C/CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000184662346 381456345 /nfs/dbraw/zinc/45/63/45/381456345.db2.gz AUPPXLHZAYGZBI-OOPCZODUSA-N 1 0 290.367 2.832 20 5 CFBDRO C[C@H](CCC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000342696881 381484569 /nfs/dbraw/zinc/48/45/69/381484569.db2.gz DPOHENOLCCZZCE-LLVKDONJSA-N 1 0 268.361 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1OCC[NH+]1CCCCC1 ZINC000185020301 381514589 /nfs/dbraw/zinc/51/45/89/381514589.db2.gz GUTNZLYLFZCHIH-UHFFFAOYSA-N 1 0 268.288 2.599 20 5 CFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000290715916 381529062 /nfs/dbraw/zinc/52/90/62/381529062.db2.gz OWOKXZMLEHKPFY-LLVKDONJSA-N 1 0 292.383 2.703 20 5 CFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000413050479 381535040 /nfs/dbraw/zinc/53/50/40/381535040.db2.gz ZWGDWXCMDYQZRF-CYBMUJFWSA-N 1 0 296.346 2.661 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC23CCCCC3)n1 ZINC000371166506 381559913 /nfs/dbraw/zinc/55/99/13/381559913.db2.gz RFFHMUYUZAGUMN-UHFFFAOYSA-N 1 0 278.356 2.590 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000290814277 381561765 /nfs/dbraw/zinc/56/17/65/381561765.db2.gz RNLGGDCXUBVYQS-QWRGUYRKSA-N 1 0 291.351 2.641 20 5 CFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185218589 381568548 /nfs/dbraw/zinc/56/85/48/381568548.db2.gz XDXCCAWZTJBZIL-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSCC1 ZINC000348477076 381584871 /nfs/dbraw/zinc/58/48/71/381584871.db2.gz IKRCYQUFIVRJSD-UHFFFAOYSA-N 1 0 282.365 2.542 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332752 381592730 /nfs/dbraw/zinc/59/27/30/381592730.db2.gz RKLQAIKHWKZKHC-GJZGRUSLSA-N 1 0 290.363 2.762 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C(F)F)CC2)cs1 ZINC000355156875 381648408 /nfs/dbraw/zinc/64/84/08/381648408.db2.gz NMBGHPXFUADTEU-UHFFFAOYSA-N 1 0 262.281 2.791 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)F)CC2)cc1 ZINC000355156005 381648435 /nfs/dbraw/zinc/64/84/35/381648435.db2.gz MPKFJQPQQWNZNM-UHFFFAOYSA-N 1 0 256.252 2.730 20 5 CFBDRO CO[C@@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000291046466 381644793 /nfs/dbraw/zinc/64/47/93/381644793.db2.gz MCQWAJAEASSKHX-LBPRGKRZSA-N 1 0 270.354 2.561 20 5 CFBDRO Cc1ncccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000348672613 381663333 /nfs/dbraw/zinc/66/33/33/381663333.db2.gz MHIKOCVFNZILIY-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CC[C@H]([NH3+])CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414974712 381669470 /nfs/dbraw/zinc/66/94/70/381669470.db2.gz FBQIEWOQWUCENI-LBPRGKRZSA-N 1 0 265.357 2.545 20 5 CFBDRO CCCCCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000298553724 381671892 /nfs/dbraw/zinc/67/18/92/381671892.db2.gz YZBANSJELQPVEW-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO CC[C@@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414987173 381681685 /nfs/dbraw/zinc/68/16/85/381681685.db2.gz YKEBOXUPZHBJQM-LLVKDONJSA-N 1 0 289.335 2.682 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000355213498 381683084 /nfs/dbraw/zinc/68/30/84/381683084.db2.gz RCZYGTJXBCLWAD-CHWSQXEVSA-N 1 0 296.392 2.905 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415006161 381698957 /nfs/dbraw/zinc/69/89/57/381698957.db2.gz KAWWURKDIVWBTK-GHMZBOCLSA-N 1 0 289.335 2.680 20 5 CFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCOC1 ZINC000298747328 381734659 /nfs/dbraw/zinc/73/46/59/381734659.db2.gz ZZAMRUIXKCZZIF-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000343477865 381740741 /nfs/dbraw/zinc/74/07/41/381740741.db2.gz PAXVWUYMROTXAX-NEPJUHHUSA-N 1 0 278.356 2.501 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415057471 381742843 /nfs/dbraw/zinc/74/28/43/381742843.db2.gz UIAZFEFYXYCGTH-QWHCGFSZSA-N 1 0 295.408 2.620 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000360047436 381748805 /nfs/dbraw/zinc/74/88/05/381748805.db2.gz LHCMDKLLJLSVGN-VXGBXAGGSA-N 1 0 295.358 2.961 20 5 CFBDRO COc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488937 381748930 /nfs/dbraw/zinc/74/89/30/381748930.db2.gz ZIMOUTHSKUKERV-ONGXEEELSA-N 1 0 297.330 2.637 20 5 CFBDRO C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000415128973 381796738 /nfs/dbraw/zinc/79/67/38/381796738.db2.gz OZAVTSLIQZKFES-ZZEYUXRUSA-N 1 0 289.379 2.525 20 5 CFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292447377 381806074 /nfs/dbraw/zinc/80/60/74/381806074.db2.gz YWDRWSIGFJWXDT-ZDUSSCGKSA-N 1 0 289.379 2.905 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000299063157 381812140 /nfs/dbraw/zinc/81/21/40/381812140.db2.gz MALQSSFHWPOYAL-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)nc1 ZINC000292640279 381814153 /nfs/dbraw/zinc/81/41/53/381814153.db2.gz AVRUWLIHKYTUCS-UHFFFAOYSA-N 1 0 278.356 2.668 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000343669137 381878884 /nfs/dbraw/zinc/87/88/84/381878884.db2.gz CCKMPEXQFNJUSW-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)O ZINC000349210126 381849479 /nfs/dbraw/zinc/84/94/79/381849479.db2.gz RTQMBXSGHLWBRT-RYUDHWBXSA-N 1 0 298.408 2.826 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000349318350 381886177 /nfs/dbraw/zinc/88/61/77/381886177.db2.gz BPILWDSMYKPHAG-OEFFGFFESA-N 1 0 278.352 2.881 20 5 CFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292899977 381892918 /nfs/dbraw/zinc/89/29/18/381892918.db2.gz AIQLWROWRIKWQI-INIZCTEOSA-N 1 0 292.379 2.825 20 5 CFBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCC1CCOCC1 ZINC000293041383 381962243 /nfs/dbraw/zinc/96/22/43/381962243.db2.gz XFLVPWKOHAHVCJ-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373279301 381968365 /nfs/dbraw/zinc/96/83/65/381968365.db2.gz SJBUFZXARQHQLO-ABAIWWIYSA-N 1 0 276.336 2.503 20 5 CFBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000293057986 381970869 /nfs/dbraw/zinc/97/08/69/381970869.db2.gz MTTSEUKWBRCSKL-CQSZACIVSA-N 1 0 295.770 2.780 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H]1C ZINC000292993602 381940926 /nfs/dbraw/zinc/94/09/26/381940926.db2.gz MKOAQVMJOGYWBW-VXGBXAGGSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@@H]1C ZINC000292993597 381941760 /nfs/dbraw/zinc/94/17/60/381941760.db2.gz MKOAQVMJOGYWBW-RYUDHWBXSA-N 1 0 291.351 2.572 20 5 CFBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000292997742 381942883 /nfs/dbraw/zinc/94/28/83/381942883.db2.gz OMOBRSQCSSIURB-CYBMUJFWSA-N 1 0 284.381 2.687 20 5 CFBDRO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000299452793 381948990 /nfs/dbraw/zinc/94/89/90/381948990.db2.gz ZWFICXXHKWVTQU-UHFFFAOYSA-N 1 0 293.367 2.562 20 5 CFBDRO COc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000362328539 382009166 /nfs/dbraw/zinc/00/91/66/382009166.db2.gz SUAAXMWHODVRQZ-UWVGGRQHSA-N 1 0 282.315 2.830 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)CC1([NH+](C)C)CCC1 ZINC000186924979 382048203 /nfs/dbraw/zinc/04/82/03/382048203.db2.gz JWFJVXPOVLOUAB-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929422 382024250 /nfs/dbraw/zinc/02/42/50/382024250.db2.gz QMNDMINPYUPYOX-XHDPSFHLSA-N 1 0 277.368 2.586 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000344068970 382106340 /nfs/dbraw/zinc/10/63/40/382106340.db2.gz SFISSQUTHOMSIU-UHFFFAOYSA-N 1 0 290.294 2.772 20 5 CFBDRO COc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351938524 382079817 /nfs/dbraw/zinc/07/98/17/382079817.db2.gz WLTOXWYLBCEFON-WDEREUQCSA-N 1 0 296.392 2.929 20 5 CFBDRO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000344032023 382081706 /nfs/dbraw/zinc/08/17/06/382081706.db2.gz OFYBSLFGVBLHMR-UHFFFAOYSA-N 1 0 280.372 2.871 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293355199 382092063 /nfs/dbraw/zinc/09/20/63/382092063.db2.gz IBGNXKBATDOQNR-XQQFMLRXSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1ccnc(NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000301289480 382138444 /nfs/dbraw/zinc/13/84/44/382138444.db2.gz NAQCCWWJPXTXBJ-LBPRGKRZSA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301394599 382167153 /nfs/dbraw/zinc/16/71/53/382167153.db2.gz KNNDQPOQCIQDTK-GFCCVEGCSA-N 1 0 290.367 2.727 20 5 CFBDRO C[N@H+](CCc1ccccc1O)Cc1ccc([N+](=O)[O-])cc1 ZINC000344159685 382169082 /nfs/dbraw/zinc/16/90/82/382169082.db2.gz GNJSPCYXVAYGIL-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO C[NH+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000302689855 382292150 /nfs/dbraw/zinc/29/21/50/382292150.db2.gz SFBQTOHJKPJAOL-UHFFFAOYSA-N 1 0 259.256 2.506 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792147 382282141 /nfs/dbraw/zinc/28/21/41/382282141.db2.gz QPXIVJMAORAZMD-BMIGLBTASA-N 1 0 295.383 2.625 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@H](CO)C1 ZINC000377236528 382239326 /nfs/dbraw/zinc/23/93/26/382239326.db2.gz FTTBRMCDXRBOIH-GPAKFWEMSA-N 1 0 290.363 2.702 20 5 CFBDRO C[N@@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000377239938 382239435 /nfs/dbraw/zinc/23/94/35/382239435.db2.gz NVPALWWSTNOTRS-UHFFFAOYSA-N 1 0 289.379 2.655 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419334517 382289912 /nfs/dbraw/zinc/28/99/12/382289912.db2.gz VOOAEPGGDPRXPU-OLZOCXBDSA-N 1 0 294.399 2.938 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344284251 382250119 /nfs/dbraw/zinc/25/01/19/382250119.db2.gz CFCBNDSUBRQHLA-HUUCEWRRSA-N 1 0 292.379 2.931 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000293723386 382251255 /nfs/dbraw/zinc/25/12/55/382251255.db2.gz QURHLRIEBPEHLV-ZDUSSCGKSA-N 1 0 266.341 2.808 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000302475916 382255587 /nfs/dbraw/zinc/25/55/87/382255587.db2.gz FDGWVOZZQFXLSJ-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO C[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293776991 382275260 /nfs/dbraw/zinc/27/52/60/382275260.db2.gz SYCSCLQUGHHEHW-LRDDRELGSA-N 1 0 291.395 2.760 20 5 CFBDRO C[NH+](C)CCSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302746365 382309084 /nfs/dbraw/zinc/30/90/84/382309084.db2.gz FMGPOEAWKSFFCV-UHFFFAOYSA-N 1 0 260.746 2.902 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302843215 382332471 /nfs/dbraw/zinc/33/24/71/382332471.db2.gz MUBWRXYSKGMADX-UHFFFAOYSA-N 1 0 292.383 2.563 20 5 CFBDRO [NH3+]C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420164106 382332850 /nfs/dbraw/zinc/33/28/50/382332850.db2.gz FMCSIBAIBAOQGI-ZETCQYMHSA-N 1 0 290.150 2.687 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000293833193 382297565 /nfs/dbraw/zinc/29/75/65/382297565.db2.gz XERJWZXUEYWNIU-CVEARBPZSA-N 1 0 290.363 2.987 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188135119 382352708 /nfs/dbraw/zinc/35/27/08/382352708.db2.gz YWBMPYLBHKXWKT-FZMZJTMJSA-N 1 0 278.352 2.540 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352526873 382381624 /nfs/dbraw/zinc/38/16/24/382381624.db2.gz STCJOGQMACZMIK-SNVBAGLBSA-N 1 0 252.314 2.834 20 5 CFBDRO COc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352540043 382385749 /nfs/dbraw/zinc/38/57/49/382385749.db2.gz GNFOBABFEARKSD-GHMZBOCLSA-N 1 0 264.325 2.691 20 5 CFBDRO C[C@@H](F)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352559221 382395608 /nfs/dbraw/zinc/39/56/08/382395608.db2.gz CIPOESXENUGMCH-LLVKDONJSA-N 1 0 254.305 2.817 20 5 CFBDRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294079955 382408354 /nfs/dbraw/zinc/40/83/54/382408354.db2.gz IJKXSDSGGPLOTH-LLVKDONJSA-N 1 0 297.358 2.995 20 5 CFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000378164220 382410561 /nfs/dbraw/zinc/41/05/61/382410561.db2.gz LVKOEXLFIHQVTA-GBXSZLQWSA-N 1 0 298.346 2.998 20 5 CFBDRO CCc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000352705190 382452537 /nfs/dbraw/zinc/45/25/37/382452537.db2.gz LFWLAYBATUDWIS-UHFFFAOYSA-N 1 0 285.347 2.885 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000188865906 382495150 /nfs/dbraw/zinc/49/51/50/382495150.db2.gz HHPLPCRZFXRTQM-AWEZNQCLSA-N 1 0 266.341 2.746 20 5 CFBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000308656542 382483645 /nfs/dbraw/zinc/48/36/45/382483645.db2.gz DECGFOJSVRETDR-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000308642063 382483988 /nfs/dbraw/zinc/48/39/88/382483988.db2.gz OZESVUKDJPSMHR-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000346815010 382527391 /nfs/dbraw/zinc/52/73/91/382527391.db2.gz AIANXAHMQJYSGW-UHFFFAOYSA-N 1 0 289.335 2.840 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294292567 382497746 /nfs/dbraw/zinc/49/77/46/382497746.db2.gz MVAIUBDAQVZHQP-GHMZBOCLSA-N 1 0 295.408 2.971 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421399980 382518377 /nfs/dbraw/zinc/51/83/77/382518377.db2.gz JDDXKVVFBODUFG-WQMJKPAKSA-N 1 0 288.347 2.863 20 5 CFBDRO C[C@H]([N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295097446 382576676 /nfs/dbraw/zinc/57/66/76/382576676.db2.gz FZLCNRWIMYNCRV-VIFPVBQESA-N 1 0 286.759 2.839 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189156436 382557052 /nfs/dbraw/zinc/55/70/52/382557052.db2.gz ZRXSMWFDEFEPCW-MRXNPFEDSA-N 1 0 290.363 2.986 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000189291403 382584211 /nfs/dbraw/zinc/58/42/11/382584211.db2.gz MWDFETMFWAIMRF-SCRDCRAPSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189320545 382591688 /nfs/dbraw/zinc/59/16/88/382591688.db2.gz UKXYLMFZIHRZFQ-BYCMXARLSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000353751863 382626420 /nfs/dbraw/zinc/62/64/20/382626420.db2.gz ZEFOBXJOVJPYAD-CJNGLKHVSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189637185 382631502 /nfs/dbraw/zinc/63/15/02/382631502.db2.gz XELALIBDQABPLI-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358348871 382581791 /nfs/dbraw/zinc/58/17/91/382581791.db2.gz YKYIKSWRYONNIZ-UHFFFAOYSA-N 1 0 275.352 2.967 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000189990497 382648841 /nfs/dbraw/zinc/64/88/41/382648841.db2.gz JSHCLDXXLWBXEY-KGLIPLIRSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190219716 382657380 /nfs/dbraw/zinc/65/73/80/382657380.db2.gz FKDLHVAHHFTPTL-INIZCTEOSA-N 1 0 292.379 2.888 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191011784 382688388 /nfs/dbraw/zinc/68/83/88/382688388.db2.gz AIDFBNQURPNFPU-CDVVCGDMSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@H]1CCC[C@](CNc2ncc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000189683838 382635302 /nfs/dbraw/zinc/63/53/02/382635302.db2.gz OYFXGGJHINTENX-MFKMUULPSA-N 1 0 298.412 2.974 20 5 CFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191293929 382697962 /nfs/dbraw/zinc/69/79/62/382697962.db2.gz DUCUPEDOHISEID-KBPBESRZSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192857789 382713034 /nfs/dbraw/zinc/71/30/34/382713034.db2.gz QAYITDKXFFLWBX-HOTGVXAUSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192884190 382713323 /nfs/dbraw/zinc/71/33/23/382713323.db2.gz WHPNRUPYRIHWSI-DOMZBBRYSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000192933727 382713747 /nfs/dbraw/zinc/71/37/47/382713747.db2.gz AXGHWEMXUWNKCN-ZDUSSCGKSA-N 1 0 280.368 2.668 20 5 CFBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000193386154 382719477 /nfs/dbraw/zinc/71/94/77/382719477.db2.gz ZSYMRNBULHIMIF-RYUDHWBXSA-N 1 0 292.383 2.709 20 5 CFBDRO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000193390867 382719511 /nfs/dbraw/zinc/71/95/11/382719511.db2.gz JRIRPNMOIBCRPR-GFCCVEGCSA-N 1 0 292.383 2.711 20 5 CFBDRO COc1ccc(C[NH2+]CC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000193645586 382721994 /nfs/dbraw/zinc/72/19/94/382721994.db2.gz JFPXLYNSWDYIGV-UHFFFAOYSA-N 1 0 296.392 2.979 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000336836016 382729422 /nfs/dbraw/zinc/72/94/22/382729422.db2.gz KEPLNGLJGWNQIR-STQMWFEESA-N 1 0 282.315 2.637 20 5 CFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194005890 382732505 /nfs/dbraw/zinc/73/25/05/382732505.db2.gz CBFMDXBKGDYOJN-NEPJUHHUSA-N 1 0 291.351 2.702 20 5 CFBDRO O=[N+]([O-])c1cccc2c(NCC[NH+]3CCCC3)ccnc21 ZINC000214747679 382777041 /nfs/dbraw/zinc/77/70/41/382777041.db2.gz GUMSOTTYYBJARU-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337255095 382786943 /nfs/dbraw/zinc/78/69/43/382786943.db2.gz RDOSYHWPODTROA-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337254894 382787009 /nfs/dbraw/zinc/78/70/09/382787009.db2.gz RDOSYHWPODTROA-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219194954 382792510 /nfs/dbraw/zinc/79/25/10/382792510.db2.gz VBOZBCLXMGQULK-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO CCOC1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000219284795 382793363 /nfs/dbraw/zinc/79/33/63/382793363.db2.gz YRSDHJIANLMPKG-JKDOVBDQSA-N 1 0 264.325 2.813 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000577115958 382848331 /nfs/dbraw/zinc/84/83/31/382848331.db2.gz ULWKLQYDEQRYSM-IAQYHMDHSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](CCO)C1CCC1 ZINC000221194986 382797884 /nfs/dbraw/zinc/79/78/84/382797884.db2.gz GMUNIEZHYKBIDR-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223884175 382807508 /nfs/dbraw/zinc/80/75/08/382807508.db2.gz RGBMEIGXLYQNRA-COPLHBTASA-N 1 0 298.408 2.666 20 5 CFBDRO O=C(CC[NH2+]CCCC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000576271787 382816859 /nfs/dbraw/zinc/81/68/59/382816859.db2.gz JXUOTFSONZAIBK-UHFFFAOYSA-N 1 0 291.351 2.703 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576330297 382818784 /nfs/dbraw/zinc/81/87/84/382818784.db2.gz SRXFYSXKNVHOSN-HQQWDMGQSA-N 1 0 290.363 2.820 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000226098347 382824689 /nfs/dbraw/zinc/82/46/89/382824689.db2.gz IMWAIFTXDRZKNB-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000226249786 382825477 /nfs/dbraw/zinc/82/54/77/382825477.db2.gz VIUORROIZCXIJO-ZDUSSCGKSA-N 1 0 286.759 2.889 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576595723 382828637 /nfs/dbraw/zinc/82/86/37/382828637.db2.gz PEWGADPTSNZQIS-CYBMUJFWSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000576590624 382828856 /nfs/dbraw/zinc/82/88/56/382828856.db2.gz OQOZQKCDUROJPA-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227146174 382834451 /nfs/dbraw/zinc/83/44/51/382834451.db2.gz UZVKRSCWCNFHHV-QWRGUYRKSA-N 1 0 296.758 2.682 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000227920680 382842469 /nfs/dbraw/zinc/84/24/69/382842469.db2.gz RKCFNBXUGOTLOP-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO C[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000230348758 382859406 /nfs/dbraw/zinc/85/94/06/382859406.db2.gz FZQPVSBZNUWZES-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000230690406 382862472 /nfs/dbraw/zinc/86/24/72/382862472.db2.gz CZBCXMOTRPVZIF-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCCC2)c(F)c1 ZINC000337838222 382870416 /nfs/dbraw/zinc/87/04/16/382870416.db2.gz YHUVYVSJRUMMCY-ZDUSSCGKSA-N 1 0 296.342 2.765 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579130397 382987253 /nfs/dbraw/zinc/98/72/53/382987253.db2.gz SGDVPXKZGRKXOL-UKRRQHHQSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@H](C1CCCCC1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000338342857 382996819 /nfs/dbraw/zinc/99/68/19/382996819.db2.gz PFDFAIYONBVJPN-GFCCVEGCSA-N 1 0 280.372 2.692 20 5 CFBDRO [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017757 383013505 /nfs/dbraw/zinc/01/35/05/383013505.db2.gz XAVCHFYMDYZJRM-DLBZAZTESA-N 1 0 297.358 2.872 20 5 CFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000447905624 383028686 /nfs/dbraw/zinc/02/86/86/383028686.db2.gz UOSWXTDCXBVRJN-HNNXBMFYSA-N 1 0 291.395 2.805 20 5 CFBDRO CCC[C@@H](CC)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579827549 383056375 /nfs/dbraw/zinc/05/63/75/383056375.db2.gz PJEYYODUAUXTHA-OCCSQVGLSA-N 1 0 296.367 2.503 20 5 CFBDRO C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423041805 383025828 /nfs/dbraw/zinc/02/58/28/383025828.db2.gz JWNKZJZGYGCFOO-GWCFXTLKSA-N 1 0 297.786 2.521 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000554560462 383142521 /nfs/dbraw/zinc/14/25/21/383142521.db2.gz PPYWCYFQKHBCBG-HNNXBMFYSA-N 1 0 290.363 2.686 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000449106818 383178231 /nfs/dbraw/zinc/17/82/31/383178231.db2.gz KBLHRTVRTOXXLX-SNVBAGLBSA-N 1 0 277.349 2.772 20 5 CFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000339457289 383204307 /nfs/dbraw/zinc/20/43/07/383204307.db2.gz CVKIUUOWGNDIGT-MRVPVSSYSA-N 1 0 279.321 2.608 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000449071631 383160588 /nfs/dbraw/zinc/16/05/88/383160588.db2.gz BTCQMQVLDGEWFR-TYNCELHUSA-N 1 0 278.352 2.683 20 5 CFBDRO O=[N+]([O-])c1cc(CNc2cc3c(c[nH+]2)CCC3)cs1 ZINC000339557542 383241668 /nfs/dbraw/zinc/24/16/68/383241668.db2.gz ZJIYRXIESCVTSB-UHFFFAOYSA-N 1 0 275.333 2.574 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449492320 383330207 /nfs/dbraw/zinc/33/02/07/383330207.db2.gz IZRGYUVKTFXKER-WFASDCNBSA-N 1 0 278.352 2.842 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449491948 383330290 /nfs/dbraw/zinc/33/02/90/383330290.db2.gz ICPPZQMVMTTZMZ-DOMZBBRYSA-N 1 0 278.352 2.842 20 5 CFBDRO CO[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000249161747 383333212 /nfs/dbraw/zinc/33/32/12/383333212.db2.gz JJEQBNOEEFYVQL-MOCUHTECSA-N 1 0 290.363 2.965 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000466819791 383345521 /nfs/dbraw/zinc/34/55/21/383345521.db2.gz RZOOOPFZWODAOC-BXUZGUMPSA-N 1 0 275.352 2.798 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449442007 383296212 /nfs/dbraw/zinc/29/62/12/383296212.db2.gz VAVRTOXQILTKRH-WDEREUQCSA-N 1 0 291.351 2.700 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464695805 383313037 /nfs/dbraw/zinc/31/30/37/383313037.db2.gz WJSGQWGGHARNPM-UWVGGRQHSA-N 1 0 282.315 2.973 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449525266 383352751 /nfs/dbraw/zinc/35/27/51/383352751.db2.gz UXRIWALMJQMVOI-NJZAAPMLSA-N 1 0 278.352 2.683 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000523440357 383354398 /nfs/dbraw/zinc/35/43/98/383354398.db2.gz HEEHFKQRVCJGNB-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000425334764 383373447 /nfs/dbraw/zinc/37/34/47/383373447.db2.gz HEVYVLBTUIGUHO-YPMHNXCESA-N 1 0 266.366 2.887 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000524619686 383376854 /nfs/dbraw/zinc/37/68/54/383376854.db2.gz DCWGEOYAMKSWQB-VXGBXAGGSA-N 1 0 264.325 2.704 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340230397 383386662 /nfs/dbraw/zinc/38/66/62/383386662.db2.gz HVAJUKDEYPKUFY-JTQLQIEISA-N 1 0 282.340 2.507 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668624 383426545 /nfs/dbraw/zinc/42/65/45/383426545.db2.gz YQTZSSMKSUXKGB-QWRGUYRKSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)cn1 ZINC000450545604 383455461 /nfs/dbraw/zinc/45/54/61/383455461.db2.gz ZCQLCHAOUINUPV-UHFFFAOYSA-N 1 0 278.356 2.668 20 5 CFBDRO C[C@@H]1C[NH+](CCCNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000253604419 383465122 /nfs/dbraw/zinc/46/51/22/383465122.db2.gz VJBDJXKGQHWHAT-CHWSQXEVSA-N 1 0 293.367 2.506 20 5 CFBDRO C[N@H+](Cc1cccc(N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000340583339 383478659 /nfs/dbraw/zinc/47/86/59/383478659.db2.gz PNUDCLSYNQFARX-UHFFFAOYSA-N 1 0 271.320 2.809 20 5 CFBDRO CO[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255341274 383480003 /nfs/dbraw/zinc/48/00/03/383480003.db2.gz VSYPCYHFNRVHRN-ZBKLQPJUSA-N 1 0 276.336 2.719 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000428549456 383490599 /nfs/dbraw/zinc/49/05/99/383490599.db2.gz GWAHRVNCWIGWGU-ZDUSSCGKSA-N 1 0 284.315 2.557 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cs1 ZINC000428563619 383491335 /nfs/dbraw/zinc/49/13/35/383491335.db2.gz ZTLRJJXSHWDCCA-LLVKDONJSA-N 1 0 290.344 2.619 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccccc1[N+](=O)[O-] ZINC000450827476 383507924 /nfs/dbraw/zinc/50/79/24/383507924.db2.gz HYUFLEQJXZWFIS-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429486772 383536300 /nfs/dbraw/zinc/53/63/00/383536300.db2.gz BKWIKLWFEHNNJI-GXTWGEPZSA-N 1 0 282.315 2.781 20 5 CFBDRO [NH3+]CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000261846418 383569798 /nfs/dbraw/zinc/56/97/98/383569798.db2.gz XHBVSOGOZHYJDQ-UHFFFAOYSA-N 1 0 299.374 2.598 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000341119403 383571560 /nfs/dbraw/zinc/57/15/60/383571560.db2.gz LJQUKRQUSFAVCM-NSHDSACASA-N 1 0 297.403 2.652 20 5 CFBDRO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548461 383642501 /nfs/dbraw/zinc/64/25/01/383642501.db2.gz NKNNUBLAWCWLEV-ZBFHGGJFSA-N 1 0 292.379 2.935 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000451460717 383620517 /nfs/dbraw/zinc/62/05/17/383620517.db2.gz JULILUVRNWTVCK-CUOATXAZSA-N 1 0 294.326 2.637 20 5 CFBDRO COc1cc(C[N@H+](C)[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000489460963 383622060 /nfs/dbraw/zinc/62/20/60/383622060.db2.gz DPNKQMGSZYVCEQ-CYBMUJFWSA-N 1 0 264.325 2.834 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433074011 383753863 /nfs/dbraw/zinc/75/38/63/383753863.db2.gz HNEWLMODQSXBHI-YGRLFVJLSA-N 1 0 276.336 2.696 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000436407988 383814186 /nfs/dbraw/zinc/81/41/86/383814186.db2.gz LLWXKGRJGKLNJZ-PWSUYJOCSA-N 1 0 294.351 2.890 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000530676123 383783776 /nfs/dbraw/zinc/78/37/76/383783776.db2.gz PECVZUFTVQPTMO-RYUDHWBXSA-N 1 0 293.367 2.888 20 5 CFBDRO CCCC[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265181712 383855935 /nfs/dbraw/zinc/85/59/35/383855935.db2.gz JAVGHABUYHIODR-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO COC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265209119 383861612 /nfs/dbraw/zinc/86/16/12/383861612.db2.gz LMPAGDCWEOEGBW-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000265272287 383881713 /nfs/dbraw/zinc/88/17/13/383881713.db2.gz XNOBETZOSLLWBA-GJZGRUSLSA-N 1 0 278.352 2.720 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453630718 383890253 /nfs/dbraw/zinc/89/02/53/383890253.db2.gz MMIWHIASHJNWNG-FZMZJTMJSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453628455 383890799 /nfs/dbraw/zinc/89/07/99/383890799.db2.gz JQSLMMILWRUKNP-SMDDNHRTSA-N 1 0 264.325 2.560 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574292473 384074890 /nfs/dbraw/zinc/07/48/90/384074890.db2.gz OAORPJQADSIIGC-TZMCWYRMSA-N 1 0 276.336 2.739 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000266511714 384189208 /nfs/dbraw/zinc/18/92/08/384189208.db2.gz FCKBTTSJLZTTKR-ZDUSSCGKSA-N 1 0 289.379 2.683 20 5 CFBDRO COc1ccc(C[N@H+](C)CCCSC)cc1[N+](=O)[O-] ZINC000266744851 384230967 /nfs/dbraw/zinc/23/09/67/384230967.db2.gz OKRWEMLMDQFXMM-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCO1 ZINC000266765499 384234185 /nfs/dbraw/zinc/23/41/85/384234185.db2.gz UXDHMWZZIBUQRJ-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCO1 ZINC000266765503 384234777 /nfs/dbraw/zinc/23/47/77/384234777.db2.gz UXDHMWZZIBUQRJ-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266836347 384245308 /nfs/dbraw/zinc/24/53/08/384245308.db2.gz FPULWVHILRKAEE-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000266966562 384271647 /nfs/dbraw/zinc/27/16/47/384271647.db2.gz JSKQNMYIGBKDBA-UHFFFAOYSA-N 1 0 293.367 2.637 20 5 CFBDRO Cc1cnc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267324334 384358395 /nfs/dbraw/zinc/35/83/95/384358395.db2.gz ZKUXJHVJOAJYGI-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277875670 384431228 /nfs/dbraw/zinc/43/12/28/384431228.db2.gz NQUIIFONNCDMBK-JOYOIKCWSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000375854279 285111279 /nfs/dbraw/zinc/11/12/79/285111279.db2.gz SWLCHLHEYOWATH-AWEZNQCLSA-N 1 0 286.335 2.528 20 5 CFBDRO Cc1cc(NCC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000278026361 384462271 /nfs/dbraw/zinc/46/22/71/384462271.db2.gz ZWUDEDCDLPCNCO-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000344610467 285114474 /nfs/dbraw/zinc/11/44/74/285114474.db2.gz KVALYMVTIILOCK-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000268354976 384612593 /nfs/dbraw/zinc/61/25/93/384612593.db2.gz FIKNXWQGOLOXKS-UHFFFAOYSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278663258 384592647 /nfs/dbraw/zinc/59/26/47/384592647.db2.gz IVSMNVNARDFGSV-HNNXBMFYSA-N 1 0 286.335 2.794 20 5 CFBDRO Cc1cnc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268294568 384592797 /nfs/dbraw/zinc/59/27/97/384592797.db2.gz ZJINQNJFXDSYPO-CYBMUJFWSA-N 1 0 292.383 2.688 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279681918 384720902 /nfs/dbraw/zinc/72/09/02/384720902.db2.gz OVXQLZOCWYGOED-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000353648891 285135469 /nfs/dbraw/zinc/13/54/69/285135469.db2.gz MJNXGSWSHUKSBP-STQMWFEESA-N 1 0 296.367 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)cc1 ZINC000451550490 285139489 /nfs/dbraw/zinc/13/94/89/285139489.db2.gz RYBWBTXELCTDBX-HIFRSBDPSA-N 1 0 290.363 2.811 20 5 CFBDRO CCC[N@H+](CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269625709 384809238 /nfs/dbraw/zinc/80/92/38/384809238.db2.gz CNRWPWIZECQTLU-OAHLLOKOSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269624266 384809253 /nfs/dbraw/zinc/80/92/53/384809253.db2.gz CAFLZPXBKGVITQ-XUJVJEKNSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000269693553 384839724 /nfs/dbraw/zinc/83/97/24/384839724.db2.gz JEMRWFIMAMVENC-OAHLLOKOSA-N 1 0 290.319 2.662 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000269733092 384855178 /nfs/dbraw/zinc/85/51/78/384855178.db2.gz YQFZHBZEOSOBDP-HNNXBMFYSA-N 1 0 278.352 2.894 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCOCC1)CCC2 ZINC000192702067 285144375 /nfs/dbraw/zinc/14/43/75/285144375.db2.gz ARRRRPUPHYVSAS-OAHLLOKOSA-N 1 0 276.336 2.741 20 5 CFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000270290579 385044271 /nfs/dbraw/zinc/04/42/71/385044271.db2.gz ODILAQNFSPUXOZ-GDBMZVCRSA-N 1 0 298.346 2.847 20 5 CFBDRO CCC(=O)c1ccc(NCC[N@@H+](C)CC)c([N+](=O)[O-])c1 ZINC000280707823 385122604 /nfs/dbraw/zinc/12/26/04/385122604.db2.gz KYPSLERXHHCADR-UHFFFAOYSA-N 1 0 279.340 2.551 20 5 CFBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282586150 385346232 /nfs/dbraw/zinc/34/62/32/385346232.db2.gz BWQOAWHLVWDDAF-LLVKDONJSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000271133193 385346965 /nfs/dbraw/zinc/34/69/65/385346965.db2.gz ASDFGJSNVYIPKH-HNNXBMFYSA-N 1 0 278.352 2.722 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000271156501 385354811 /nfs/dbraw/zinc/35/48/11/385354811.db2.gz RGIFZFDCGNNNID-NEPJUHHUSA-N 1 0 294.351 2.681 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000271183062 385365730 /nfs/dbraw/zinc/36/57/30/385365730.db2.gz IDDPMUJBWOMNOH-HNNXBMFYSA-N 1 0 278.352 2.722 20 5 CFBDRO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1 ZINC000282489737 385325140 /nfs/dbraw/zinc/32/51/40/385325140.db2.gz MLWCJRRHHJOQSH-LLVKDONJSA-N 1 0 296.342 2.717 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCC[C@H]1O ZINC000283161095 385441447 /nfs/dbraw/zinc/44/14/47/385441447.db2.gz OYONCPXQUNSJIM-IUODEOHRSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccoc2)n1 ZINC000447542574 285169816 /nfs/dbraw/zinc/16/98/16/285169816.db2.gz PLTBIGTUIACDJK-OLZOCXBDSA-N 1 0 290.323 2.658 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284109327 385536529 /nfs/dbraw/zinc/53/65/29/385536529.db2.gz OSPBVWQTHPHMBE-UFBFGSQYSA-N 1 0 281.381 2.722 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000272479312 385548057 /nfs/dbraw/zinc/54/80/57/385548057.db2.gz GMZHQPZVWUNGJR-UKRRQHHQSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272620772 385577479 /nfs/dbraw/zinc/57/74/79/385577479.db2.gz YHZYIELWWKYJAR-HOCLYGCPSA-N 1 0 292.379 2.886 20 5 CFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000272583358 385569028 /nfs/dbraw/zinc/56/90/28/385569028.db2.gz SBQVIFLYRGZAFL-HIFRSBDPSA-N 1 0 278.352 2.578 20 5 CFBDRO CCC(=O)c1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000286294515 385583712 /nfs/dbraw/zinc/58/37/12/385583712.db2.gz FTTIESWGHFRWBA-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286397961 385608333 /nfs/dbraw/zinc/60/83/33/385608333.db2.gz ODHKFRJNOQUWEO-YIONKMFJSA-N 1 0 275.352 2.656 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000287003816 385759186 /nfs/dbraw/zinc/75/91/86/385759186.db2.gz RAIBJJSGMTXJKK-ZFWWWQNUSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccccc1[N+](=O)[O-] ZINC000275109613 385933873 /nfs/dbraw/zinc/93/38/73/385933873.db2.gz HAODMHJKUNYVTM-OUCADQQQSA-N 1 0 278.352 2.797 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000276727863 386026600 /nfs/dbraw/zinc/02/66/00/386026600.db2.gz QLFQITVCGKMBEP-CQSZACIVSA-N 1 0 284.331 2.885 20 5 CFBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276976065 386097279 /nfs/dbraw/zinc/09/72/79/386097279.db2.gz XQBDHKQPQXVCKV-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCCO1 ZINC000281391114 195222470 /nfs/dbraw/zinc/22/24/70/195222470.db2.gz WVDVATQBVAYMPW-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081709345 177842411 /nfs/dbraw/zinc/84/24/11/177842411.db2.gz SDUGRDKBLPYWEW-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281581986 195296981 /nfs/dbraw/zinc/29/69/81/195296981.db2.gz DIJOSWPBYAQEOR-SMDDNHRTSA-N 1 0 264.325 2.594 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000283107005 195794464 /nfs/dbraw/zinc/79/44/64/195794464.db2.gz XUYQUFNHYFKTQX-UHFFFAOYSA-N 1 0 280.368 2.934 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000414200013 533307533 /nfs/dbraw/zinc/30/75/33/533307533.db2.gz LHVDTUVCXFQILU-NWDGAFQWSA-N 1 0 266.341 2.918 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449713968 533385494 /nfs/dbraw/zinc/38/54/94/533385494.db2.gz ZLBJVTSDZSUZNU-QLLDGSJBSA-N 1 0 290.363 2.749 20 5 CFBDRO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000341877581 130104103 /nfs/dbraw/zinc/10/41/03/130104103.db2.gz PFDFNTLUQLZKQW-SGMGOOAPSA-N 1 0 277.368 2.586 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000355338725 130281724 /nfs/dbraw/zinc/28/17/24/130281724.db2.gz ZHNLXCSXXWEIOM-LLVKDONJSA-N 1 0 283.347 2.554 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191751523 130296108 /nfs/dbraw/zinc/29/61/08/130296108.db2.gz DSBDMMIJLADQGJ-TVQRCGJNSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000191958000 130338570 /nfs/dbraw/zinc/33/85/70/130338570.db2.gz YLEFUDAQOPIVTA-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000191958006 130338881 /nfs/dbraw/zinc/33/88/81/130338881.db2.gz YLEFUDAQOPIVTA-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1COC ZINC000192038907 130356730 /nfs/dbraw/zinc/35/67/30/130356730.db2.gz SDJQFXKKBGZNHQ-UHFFFAOYSA-N 1 0 295.383 2.885 20 5 CFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[C@H]1O ZINC000249296393 131121541 /nfs/dbraw/zinc/12/15/41/131121541.db2.gz BRTCBZVQDQSGOC-UONOGXRCSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000250922917 131127654 /nfs/dbraw/zinc/12/76/54/131127654.db2.gz QDIYQLPYJOIJLZ-GMXVVIOVSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C1 ZINC000263708969 131313569 /nfs/dbraw/zinc/31/35/69/131313569.db2.gz MSHYLZWVSFPLCP-LLVKDONJSA-N 1 0 291.351 2.574 20 5 CFBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268445341 132010510 /nfs/dbraw/zinc/01/05/10/132010510.db2.gz DXPALARPZWVXQM-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO Cn1cncc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000268509718 132019513 /nfs/dbraw/zinc/01/95/13/132019513.db2.gz ZLOWLQVNMPPGKG-UHFFFAOYSA-N 1 0 298.249 2.542 20 5 CFBDRO COCCC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268787555 132065760 /nfs/dbraw/zinc/06/57/60/132065760.db2.gz AUVMYUMOFPAXOF-LLVKDONJSA-N 1 0 282.340 2.508 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000268868320 132080003 /nfs/dbraw/zinc/08/00/03/132080003.db2.gz GYMQBOHDUQHJDC-AGIUHOORSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000268893881 132084228 /nfs/dbraw/zinc/08/42/28/132084228.db2.gz OPOASHDCCASVRZ-SMDDNHRTSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000268996989 132097677 /nfs/dbraw/zinc/09/76/77/132097677.db2.gz IDGYOAXZVHRORX-ZYHUDNBSSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000268996987 132097802 /nfs/dbraw/zinc/09/78/02/132097802.db2.gz IDGYOAXZVHRORX-PWSUYJOCSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000269062742 132106718 /nfs/dbraw/zinc/10/67/18/132106718.db2.gz URJORZIXYCHYSQ-DRZSPHRISA-N 1 0 280.368 2.961 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000180423132 393482141 /nfs/dbraw/zinc/48/21/41/393482141.db2.gz ZPLBPXCYEKNCLV-SNVBAGLBSA-N 1 0 297.330 2.639 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000301930749 393482518 /nfs/dbraw/zinc/48/25/18/393482518.db2.gz KVYZPHCUVQPDAB-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000301474136 393472213 /nfs/dbraw/zinc/47/22/13/393472213.db2.gz VKDMSBDQHSJZAA-ZDUSSCGKSA-N 1 0 277.368 2.905 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301702124 393476150 /nfs/dbraw/zinc/47/61/50/393476150.db2.gz GMZRIGUYJJNEDJ-XJKSGUPXSA-N 1 0 289.379 2.824 20 5 CFBDRO CC(C)C[C@H](CNCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000037562658 393531954 /nfs/dbraw/zinc/53/19/54/393531954.db2.gz LZMIZBJDVRSTAK-GFCCVEGCSA-N 1 0 285.413 2.722 20 5 CFBDRO CC(C)C[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330954355 393553679 /nfs/dbraw/zinc/55/36/79/393553679.db2.gz MFTIXUYZSCJQNN-GFCCVEGCSA-N 1 0 280.372 2.586 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCCCCO ZINC000224951786 413067194 /nfs/dbraw/zinc/06/71/94/413067194.db2.gz PCMWTWQSHIHZLW-UHFFFAOYSA-N 1 0 286.759 2.891 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000052812680 393617479 /nfs/dbraw/zinc/61/74/79/393617479.db2.gz HFVOCJQJNCLAKU-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CCC(CC)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192699871 393630035 /nfs/dbraw/zinc/63/00/35/393630035.db2.gz DOXYOMVHHSOUIE-JTQLQIEISA-N 1 0 279.340 2.700 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357038 393638321 /nfs/dbraw/zinc/63/83/21/393638321.db2.gz NRDHZONRHNNDCG-GXTWGEPZSA-N 1 0 264.325 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CCC1)CCC2 ZINC000193281989 393648006 /nfs/dbraw/zinc/64/80/06/393648006.db2.gz WDINEMREMKCYLE-HNNXBMFYSA-N 1 0 290.363 2.724 20 5 CFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000195352621 393738593 /nfs/dbraw/zinc/73/85/93/393738593.db2.gz KLKVMCXSHPAOAV-UHFFFAOYSA-N 1 0 252.314 2.704 20 5 CFBDRO C[C@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509068 393742291 /nfs/dbraw/zinc/74/22/91/393742291.db2.gz KYJXLJNLAYJSFQ-NSHDSACASA-N 1 0 298.412 2.975 20 5 CFBDRO CCC[NH+]1CCC(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195511990 393742459 /nfs/dbraw/zinc/74/24/59/393742459.db2.gz SJEOCNWCPORLGW-UHFFFAOYSA-N 1 0 284.385 2.585 20 5 CFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000195510742 393742948 /nfs/dbraw/zinc/74/29/48/393742948.db2.gz AAGOTILASYMVFV-OUAUKWLOSA-N 1 0 298.412 2.830 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000195509173 393743055 /nfs/dbraw/zinc/74/30/55/393743055.db2.gz NCMZOFSWZNVENZ-QWRGUYRKSA-N 1 0 298.412 2.831 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC1(C)C ZINC000077382672 393698157 /nfs/dbraw/zinc/69/81/57/393698157.db2.gz MYMGUTVKAZUINP-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000077358867 393699034 /nfs/dbraw/zinc/69/90/34/393699034.db2.gz JNWGPMWDEMJATJ-UHFFFAOYSA-N 1 0 291.351 2.796 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1c[nH]cn1 ZINC000194986620 393727139 /nfs/dbraw/zinc/72/71/39/393727139.db2.gz MXVDFUALLGWEIA-UHFFFAOYSA-N 1 0 288.307 2.506 20 5 CFBDRO COC(=O)CC1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000424265823 393806858 /nfs/dbraw/zinc/80/68/58/393806858.db2.gz KHXFTKBYUNIIOG-XSRFYTQQSA-N 1 0 292.335 2.587 20 5 CFBDRO CCN(CC[NH+]1CCCCCC1)c1ncccc1[N+](=O)[O-] ZINC000343782215 393890330 /nfs/dbraw/zinc/89/03/30/393890330.db2.gz BEYZWYXSKHQWTC-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000470175820 393899269 /nfs/dbraw/zinc/89/92/69/393899269.db2.gz SQHVQZYOUBWYEB-JQIVSHAJSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246249231 393856805 /nfs/dbraw/zinc/85/68/05/393856805.db2.gz PEKAUNKIEWYRFU-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1C ZINC000120155776 393930218 /nfs/dbraw/zinc/93/02/18/393930218.db2.gz HRVBVIWEYASMOV-JSGCOSHPSA-N 1 0 280.372 2.692 20 5 CFBDRO CCOCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429232869 393946291 /nfs/dbraw/zinc/94/62/91/393946291.db2.gz CFLKKGMUMOPSPH-UHFFFAOYSA-N 1 0 266.341 2.846 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417391180 393955402 /nfs/dbraw/zinc/95/54/02/393955402.db2.gz RGGLGZKRQLIPCC-ZYHUDNBSSA-N 1 0 299.321 2.585 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000430217666 393969645 /nfs/dbraw/zinc/96/96/45/393969645.db2.gz KBKVPFXFIHTZRB-RISCZKNCSA-N 1 0 276.336 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCC1 ZINC000430217766 393969826 /nfs/dbraw/zinc/96/98/26/393969826.db2.gz IGEMWDXAYMIAIL-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCOC(C)C ZINC000430226113 393970647 /nfs/dbraw/zinc/97/06/47/393970647.db2.gz LVUIASSDOMLPLI-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000430236564 393971453 /nfs/dbraw/zinc/97/14/53/393971453.db2.gz NTHHYNJMUQCSAW-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349966444 393974781 /nfs/dbraw/zinc/97/47/81/393974781.db2.gz MQADKSOVLOOWMS-INIZCTEOSA-N 1 0 289.379 2.572 20 5 CFBDRO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000266239392 393981118 /nfs/dbraw/zinc/98/11/18/393981118.db2.gz LAFDTUCSSLRYEM-VHSXEESVSA-N 1 0 298.774 2.562 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268796119 393994393 /nfs/dbraw/zinc/99/43/93/393994393.db2.gz BWADZJAIIPDLGO-CJNGLKHVSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/c2ccncc2)cc1 ZINC000487305217 393996456 /nfs/dbraw/zinc/99/64/56/393996456.db2.gz VEECSCCUBSHKOW-OWOJBTEDSA-N 1 0 283.331 2.835 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000269061584 394000882 /nfs/dbraw/zinc/00/08/82/394000882.db2.gz UGSWFJAKGSPCMU-RISCZKNCSA-N 1 0 290.319 2.880 20 5 CFBDRO CC[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000125154383 394002428 /nfs/dbraw/zinc/00/24/28/394002428.db2.gz MWRGZYWKUNUXAC-LBPRGKRZSA-N 1 0 264.325 2.706 20 5 CFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125755058 394012567 /nfs/dbraw/zinc/01/25/67/394012567.db2.gz RPZKWMXIJLKGBJ-LBPRGKRZSA-N 1 0 291.351 2.655 20 5 CFBDRO CC(C)[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000432777019 394012581 /nfs/dbraw/zinc/01/25/81/394012581.db2.gz SBNYQNBMTREKJZ-OAHLLOKOSA-N 1 0 278.352 2.576 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000126874666 394037898 /nfs/dbraw/zinc/03/78/98/394037898.db2.gz BWQIPLCIGTXPDX-UHFFFAOYSA-N 1 0 280.368 2.888 20 5 CFBDRO COC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000130052345 394100602 /nfs/dbraw/zinc/10/06/02/394100602.db2.gz LIOJYJJSFAJGCT-UHFFFAOYSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000438357408 394079534 /nfs/dbraw/zinc/07/95/34/394079534.db2.gz XDJRAYKRGRRQBQ-YNEHKIRRSA-N 1 0 278.352 2.901 20 5 CFBDRO Cc1cc(NC[C@@H](C)C[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420208734 394096029 /nfs/dbraw/zinc/09/60/29/394096029.db2.gz BGNKQSXVSLSXLU-ZETCQYMHSA-N 1 0 291.273 2.929 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000281930903 394096390 /nfs/dbraw/zinc/09/63/90/394096390.db2.gz HILRXPXJGKFIAI-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO C[C@@H](C[NH3+])CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420218129 394097480 /nfs/dbraw/zinc/09/74/80/394097480.db2.gz OUPUYIIEZLKQSC-LURJTMIESA-N 1 0 278.139 2.908 20 5 CFBDRO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000273479190 394035042 /nfs/dbraw/zinc/03/50/42/394035042.db2.gz KBAPTPNEAOKVPJ-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000286011244 394179307 /nfs/dbraw/zinc/17/93/07/394179307.db2.gz FDNGOYJIIMUGCQ-NEPJUHHUSA-N 1 0 292.383 2.709 20 5 CFBDRO Cc1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420275887 394113712 /nfs/dbraw/zinc/11/37/12/394113712.db2.gz HGBDJLLLSFFGJI-RYUDHWBXSA-N 1 0 263.341 2.833 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000420284465 394115829 /nfs/dbraw/zinc/11/58/29/394115829.db2.gz OWGOQEMICTZHKT-IUCAKERBSA-N 1 0 284.747 2.573 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000282347661 394124251 /nfs/dbraw/zinc/12/42/51/394124251.db2.gz PBSAVEYTQFONRQ-DOMZBBRYSA-N 1 0 278.352 2.903 20 5 CFBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCO1 ZINC000282521511 394124912 /nfs/dbraw/zinc/12/49/12/394124912.db2.gz UAADWAHERAZGSG-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000439663114 394126555 /nfs/dbraw/zinc/12/65/55/394126555.db2.gz RQMFYFAGZLHMMC-RYUDHWBXSA-N 1 0 285.294 2.768 20 5 CFBDRO Cc1cc(N(C)CC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359902305 394142294 /nfs/dbraw/zinc/14/22/94/394142294.db2.gz QXULVWHXLOKWGA-UHFFFAOYSA-N 1 0 295.358 2.820 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000421025216 394162685 /nfs/dbraw/zinc/16/26/85/394162685.db2.gz YEWWLVDPSZJHJN-CQSZACIVSA-N 1 0 292.379 2.622 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000449160458 394235518 /nfs/dbraw/zinc/23/55/18/394235518.db2.gz BMWAJKBLSDDEAZ-IPYPFGDCSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163283 394236604 /nfs/dbraw/zinc/23/66/04/394236604.db2.gz VUWJWCPVTYQHDN-OCCSQVGLSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cnn(C)c1 ZINC000449164658 394237006 /nfs/dbraw/zinc/23/70/06/394237006.db2.gz QIBAJTFQJCHWHX-VXGBXAGGSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CCC1 ZINC000449185741 394246531 /nfs/dbraw/zinc/24/65/31/394246531.db2.gz JNOYFRBKSMPWGX-ZDUSSCGKSA-N 1 0 292.379 2.668 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC23CCCCC3)c1 ZINC000449194442 394248790 /nfs/dbraw/zinc/24/87/90/394248790.db2.gz PCQMPFJXMDDZFR-AWEZNQCLSA-N 1 0 292.383 2.884 20 5 CFBDRO CCOc1cccc(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291685030 394255183 /nfs/dbraw/zinc/25/51/83/394255183.db2.gz FOVVNVULMZOUJJ-NSHDSACASA-N 1 0 281.356 2.603 20 5 CFBDRO CC(C)OCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449239071 394264010 /nfs/dbraw/zinc/26/40/10/394264010.db2.gz UODARTCTOJPPDD-GFCCVEGCSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000449245648 394265738 /nfs/dbraw/zinc/26/57/38/394265738.db2.gz BSVDLOROYCQJJB-HZSPNIEDSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]1 ZINC000423083571 394266557 /nfs/dbraw/zinc/26/65/57/394266557.db2.gz YYZIDPILKRWAEP-KGLIPLIRSA-N 1 0 277.368 2.523 20 5 CFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000450592197 394295955 /nfs/dbraw/zinc/29/59/55/394295955.db2.gz LARQQXKYZRGUJA-ZDUSSCGKSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423551020 394296507 /nfs/dbraw/zinc/29/65/07/394296507.db2.gz JDZMBUNOJXWRPD-QWHCGFSZSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296144312 394306096 /nfs/dbraw/zinc/30/60/96/394306096.db2.gz XKYXCIJTYIPOTD-SNVBAGLBSA-N 1 0 298.774 2.564 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000450860023 394342200 /nfs/dbraw/zinc/34/22/00/394342200.db2.gz NMQDNWOMMHOAME-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159149747 394363898 /nfs/dbraw/zinc/36/38/98/394363898.db2.gz UDVCDNDQGLCEJK-NWDGAFQWSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000453328300 394386286 /nfs/dbraw/zinc/38/62/86/394386286.db2.gz BZLOUUJQHLENEC-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000554658770 394955269 /nfs/dbraw/zinc/95/52/69/394955269.db2.gz QQUPWYNFFKZXHC-XQQFMLRXSA-N 1 0 276.336 2.882 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000548722673 394948379 /nfs/dbraw/zinc/94/83/79/394948379.db2.gz PPBHTRRFOBLFRG-HNNXBMFYSA-N 1 0 292.379 2.932 20 5 CFBDRO CC(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558578138 395065753 /nfs/dbraw/zinc/06/57/53/395065753.db2.gz TVBCLWUOCCXTHJ-UHFFFAOYSA-N 1 0 279.340 2.559 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CCO)CCCCC1 ZINC000440890204 296514228 /nfs/dbraw/zinc/51/42/28/296514228.db2.gz HAZYHYFJTARMDS-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045692005 397577173 /nfs/dbraw/zinc/57/71/73/397577173.db2.gz OWGOKCCMJHBSFG-CHWSQXEVSA-N 1 0 279.384 2.976 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000356739685 155346415 /nfs/dbraw/zinc/34/64/15/155346415.db2.gz ONBRVWSFBVGAJP-AWEZNQCLSA-N 1 0 288.351 2.815 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000182697183 292295860 /nfs/dbraw/zinc/29/58/60/292295860.db2.gz FCPCOZOHKMCJIR-ZDUSSCGKSA-N 1 0 289.379 2.744 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000348065358 154304053 /nfs/dbraw/zinc/30/40/53/154304053.db2.gz QJPQDPNTPSOLEH-QWHCGFSZSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348148139 154340669 /nfs/dbraw/zinc/34/06/69/154340669.db2.gz QWVWGZXXZSYNIA-WDEREUQCSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348148136 154340975 /nfs/dbraw/zinc/34/09/75/154340975.db2.gz QWVWGZXXZSYNIA-GHMZBOCLSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CCC1 ZINC000348203850 154361647 /nfs/dbraw/zinc/36/16/47/154361647.db2.gz DQMCDEJGAITZJK-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355782047 155084842 /nfs/dbraw/zinc/08/48/42/155084842.db2.gz QGZSVXBEGHTYFB-OCCSQVGLSA-N 1 0 278.352 2.808 20 5 CFBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959307 156127297 /nfs/dbraw/zinc/12/72/97/156127297.db2.gz XPMGBVXVJCSSRZ-NWDGAFQWSA-N 1 0 280.372 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC23CCOCC3)cc1 ZINC000363104921 156148571 /nfs/dbraw/zinc/14/85/71/156148571.db2.gz OUDBVRRKRNGAQS-UHFFFAOYSA-N 1 0 290.363 2.782 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000374906473 157171926 /nfs/dbraw/zinc/17/19/26/157171926.db2.gz AMDRULNSVFXMLD-DOMZBBRYSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000344536088 162062876 /nfs/dbraw/zinc/06/28/76/162062876.db2.gz KULJBGRWDRQALS-BLLLJJGKSA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000344736898 162110858 /nfs/dbraw/zinc/11/08/58/162110858.db2.gz DQVCQVJPTFNMOI-UHFFFAOYSA-N 1 0 294.351 2.806 20 5 CFBDRO CO[C@@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344789227 162121437 /nfs/dbraw/zinc/12/14/37/162121437.db2.gz GZMMUKOHNRUEBY-RDQDRAATSA-N 1 0 264.325 2.623 20 5 CFBDRO CC[C@@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344797450 162123572 /nfs/dbraw/zinc/12/35/72/162123572.db2.gz WPZPBGHKPOCDHY-TZIYXEQSSA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCCC1 ZINC000344853642 162135285 /nfs/dbraw/zinc/13/52/85/162135285.db2.gz JKIJUFNNZJSCMA-SDNWHVSQSA-N 1 0 289.379 2.684 20 5 CFBDRO CC[C@@H](CCO)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000345043540 162167914 /nfs/dbraw/zinc/16/79/14/162167914.db2.gz IHNLXJLMJNKHEV-SSUFTNFISA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000345167172 162192700 /nfs/dbraw/zinc/19/27/00/162192700.db2.gz XRAXZEHCEHUAHQ-QWHCGFSZSA-N 1 0 277.368 2.822 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000346169355 162338689 /nfs/dbraw/zinc/33/86/89/162338689.db2.gz QFKKQBUUFLYBLM-QWHCGFSZSA-N 1 0 277.368 2.509 20 5 CFBDRO Cn1cccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350288001 163069413 /nfs/dbraw/zinc/06/94/13/163069413.db2.gz NMCYKSOTUKGJPD-UHFFFAOYSA-N 1 0 293.754 2.919 20 5 CFBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350292842 163070327 /nfs/dbraw/zinc/07/03/27/163070327.db2.gz ZWSFWVPRJZPZEB-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnn2ccccc12 ZINC000353032237 163292326 /nfs/dbraw/zinc/29/23/26/163292326.db2.gz FJJORSLYSLVZFO-UHFFFAOYSA-N 1 0 296.330 2.841 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H]1C ZINC000353116536 163309362 /nfs/dbraw/zinc/30/93/62/163309362.db2.gz GWEDLUQXNYRIIW-MFKMUULPSA-N 1 0 264.325 2.882 20 5 CFBDRO C[NH+](C)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000005957818 170162797 /nfs/dbraw/zinc/16/27/97/170162797.db2.gz LLTWZRJDWCIVIT-UHFFFAOYSA-N 1 0 293.370 2.679 20 5 CFBDRO CCC[C@H]([NH2+]CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020083757 170986947 /nfs/dbraw/zinc/98/69/47/170986947.db2.gz GCZXYRCNBRKFJZ-AWEZNQCLSA-N 1 0 265.357 2.587 20 5 CFBDRO COCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020142951 171029149 /nfs/dbraw/zinc/02/91/49/171029149.db2.gz BAUSWKNKACGPFQ-NSHDSACASA-N 1 0 252.314 2.590 20 5 CFBDRO CC(C)[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000020200973 171064774 /nfs/dbraw/zinc/06/47/74/171064774.db2.gz POHFPGDPSNMYFI-INIZCTEOSA-N 1 0 291.395 2.805 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccccc2)cc1[N+](=O)[O-] ZINC000021516783 171313239 /nfs/dbraw/zinc/31/32/39/171313239.db2.gz GNBWYRUSULJPQO-UHFFFAOYSA-N 1 0 286.331 2.936 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000284753905 196125620 /nfs/dbraw/zinc/12/56/20/196125620.db2.gz LPVKBYODRSUPFP-LSDHHAIUSA-N 1 0 294.326 2.877 20 5 CFBDRO CCn1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000284839933 196141991 /nfs/dbraw/zinc/14/19/91/196141991.db2.gz BZMCCGDIFBENCE-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[C@@H]([NH2+]CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000034959150 171904516 /nfs/dbraw/zinc/90/45/16/171904516.db2.gz AMXMHVGQGAKMCR-CYBMUJFWSA-N 1 0 252.314 2.672 20 5 CFBDRO C[C@H](CN1CCCCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035258930 172091222 /nfs/dbraw/zinc/09/12/22/172091222.db2.gz ORWZMGWJCGBHPA-CYBMUJFWSA-N 1 0 277.368 2.559 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000285115189 196199985 /nfs/dbraw/zinc/19/99/85/196199985.db2.gz KWBRDKYMSSZZSX-LLVKDONJSA-N 1 0 293.367 2.644 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cn1 ZINC000285303362 196245855 /nfs/dbraw/zinc/24/58/55/196245855.db2.gz LKTLLFXUNIIUSM-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000035692063 172360737 /nfs/dbraw/zinc/36/07/37/172360737.db2.gz LUQMLLGEPNUHED-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444101 196285784 /nfs/dbraw/zinc/28/57/84/196285784.db2.gz XVSOKOOREUKKIJ-OCCSQVGLSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444099 196285814 /nfs/dbraw/zinc/28/58/14/196285814.db2.gz XVSOKOOREUKKIJ-JSGCOSHPSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+](C)C ZINC000037371674 173160521 /nfs/dbraw/zinc/16/05/21/173160521.db2.gz ZKFSVMOASCVMCB-UHFFFAOYSA-N 1 0 265.357 2.903 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC000285753198 196387900 /nfs/dbraw/zinc/38/79/00/196387900.db2.gz YYARNASSQJQMDX-HIFRSBDPSA-N 1 0 289.379 2.653 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000037485746 173229668 /nfs/dbraw/zinc/22/96/68/173229668.db2.gz RTAGHKFQLABNMI-UHFFFAOYSA-N 1 0 296.327 2.503 20 5 CFBDRO CC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000037495427 173235210 /nfs/dbraw/zinc/23/52/10/173235210.db2.gz QAZUGERZHDYEKZ-GFCCVEGCSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@H](Cc1ccco1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562871 173510726 /nfs/dbraw/zinc/51/07/26/173510726.db2.gz ZCOXRUNYHJNJLM-SECBINFHSA-N 1 0 266.322 2.970 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccs2)cc1 ZINC000038079423 174089277 /nfs/dbraw/zinc/08/92/77/174089277.db2.gz UZIMXKIUKQCUBI-UHFFFAOYSA-N 1 0 278.333 2.825 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+](C)C ZINC000038089195 174102315 /nfs/dbraw/zinc/10/23/15/174102315.db2.gz XDKBHHVIWXOPOT-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038096054 174110203 /nfs/dbraw/zinc/11/02/03/174110203.db2.gz MYXLIPBWKXPRNY-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672538 174370554 /nfs/dbraw/zinc/37/05/54/174370554.db2.gz KEZKAFYFVMDVRV-GXTWGEPZSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1cc[nH+]c(NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000043561593 175066410 /nfs/dbraw/zinc/06/64/10/175066410.db2.gz IZYJFPQQXKDDJQ-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000044411797 175171806 /nfs/dbraw/zinc/17/18/06/175171806.db2.gz CQWSLVPIZQTNMA-VIFPVBQESA-N 1 0 281.743 2.897 20 5 CFBDRO COCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000044657090 175225671 /nfs/dbraw/zinc/22/56/71/175225671.db2.gz AGPWXLSOOKRELS-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044690761 175233438 /nfs/dbraw/zinc/23/34/38/175233438.db2.gz VZLZGYNJDZPEEY-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO CCOC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000044690847 175233498 /nfs/dbraw/zinc/23/34/98/175233498.db2.gz NGTGOQYWTDJBMU-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000044747988 175243421 /nfs/dbraw/zinc/24/34/21/175243421.db2.gz CUAOZLBVMNDJIT-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926142 175541016 /nfs/dbraw/zinc/54/10/16/175541016.db2.gz HUKJRJIHKAHPAK-NSHDSACASA-N 1 0 266.341 2.888 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1F ZINC000057839483 175602678 /nfs/dbraw/zinc/60/26/78/175602678.db2.gz BKMKCUYTNSTVMJ-UHFFFAOYSA-N 1 0 255.293 2.534 20 5 CFBDRO CCC[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000070496150 175957093 /nfs/dbraw/zinc/95/70/93/175957093.db2.gz QXNLYXGHMOJTON-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO C[N@H+](CCNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000071377577 176142742 /nfs/dbraw/zinc/14/27/42/176142742.db2.gz LWCBTNJAQHRYDT-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000071954256 176304450 /nfs/dbraw/zinc/30/44/50/176304450.db2.gz MQKYDYQMJVQHQY-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)O ZINC000078727818 177377323 /nfs/dbraw/zinc/37/73/23/177377323.db2.gz CZFBPCHQILZIRG-UHFFFAOYSA-N 1 0 296.367 2.585 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC12CC2 ZINC000418089232 228023989 /nfs/dbraw/zinc/02/39/89/228023989.db2.gz BTIIYLAOYOCOFA-MASHWEEQSA-N 1 0 258.321 2.998 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC12CC2 ZINC000418098005 228036619 /nfs/dbraw/zinc/03/66/19/228036619.db2.gz OJPDVWVKNWNLKH-GFCCVEGCSA-N 1 0 276.336 2.883 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000323028083 260122830 /nfs/dbraw/zinc/12/28/30/260122830.db2.gz LIKCKZAZSYRLIB-ZDUSSCGKSA-N 1 0 270.304 2.639 20 5 CFBDRO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000525787193 262238491 /nfs/dbraw/zinc/23/84/91/262238491.db2.gz XVRVRLBTTQTJBG-TXEJJXNPSA-N 1 0 296.392 2.799 20 5 CFBDRO CCOc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000226571728 270256839 /nfs/dbraw/zinc/25/68/39/270256839.db2.gz PAWSHNMACBBQQI-WCQYABFASA-N 1 0 293.367 2.888 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000518959910 265249567 /nfs/dbraw/zinc/24/95/67/265249567.db2.gz ODODDRFYADLWJW-UHFFFAOYSA-N 1 0 281.743 2.581 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000392908778 270306344 /nfs/dbraw/zinc/30/63/44/270306344.db2.gz XBASEOQMQQRZIY-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000393354480 270307786 /nfs/dbraw/zinc/30/77/86/270307786.db2.gz MRBNVTHBDICZLU-OAHLLOKOSA-N 1 0 298.342 2.731 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000395131668 270310725 /nfs/dbraw/zinc/31/07/25/270310725.db2.gz QMFYHKSQRUVUFZ-JBLDHEPKSA-N 1 0 264.325 2.738 20 5 CFBDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000398502692 270322326 /nfs/dbraw/zinc/32/23/26/270322326.db2.gz ZOCHXAIPVQLHBS-RYUDHWBXSA-N 1 0 266.341 2.797 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC1 ZINC000514953472 270359249 /nfs/dbraw/zinc/35/92/49/270359249.db2.gz XDBAMEWUIHGNQT-KAMYIIQDSA-N 1 0 289.379 2.684 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCF ZINC000527045363 270490108 /nfs/dbraw/zinc/49/01/08/270490108.db2.gz FYGMUCZYTQKADM-DHZHZOJOSA-N 1 0 252.289 2.947 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000532482086 270860253 /nfs/dbraw/zinc/86/02/53/270860253.db2.gz MDSKXKCHJIGBFD-OLZOCXBDSA-N 1 0 289.379 2.791 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433074008 273590002 /nfs/dbraw/zinc/59/00/02/273590002.db2.gz HNEWLMODQSXBHI-HZMBPMFUSA-N 1 0 276.336 2.696 20 5 CFBDRO CCOCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417333870 273701246 /nfs/dbraw/zinc/70/12/46/273701246.db2.gz ZISPEJFDWJFGBK-HNNXBMFYSA-N 1 0 278.352 2.988 20 5 CFBDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353821507 287715260 /nfs/dbraw/zinc/71/52/60/287715260.db2.gz SOGJTLFAJZANLN-MROQNXINSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277341830 274380220 /nfs/dbraw/zinc/38/02/20/274380220.db2.gz FLTBRURNUAISSN-BXKDBHETSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000178179489 274762737 /nfs/dbraw/zinc/76/27/37/274762737.db2.gz IMOYHADFELKFIX-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1cc[nH+]c(NCCc2ccccc2[N+](=O)[O-])c1 ZINC000301641074 274818189 /nfs/dbraw/zinc/81/81/89/274818189.db2.gz MFSCJGOCRRYYBI-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000276184352 275033324 /nfs/dbraw/zinc/03/33/24/275033324.db2.gz FWJNTWODDNUNGP-UHFFFAOYSA-N 1 0 295.770 2.969 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250745687 275033729 /nfs/dbraw/zinc/03/37/29/275033729.db2.gz ALWDUXLTXNAYHR-QWRGUYRKSA-N 1 0 296.758 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000047975373 275037122 /nfs/dbraw/zinc/03/71/22/275037122.db2.gz GIFVZAXMEHMKFA-ZIAGYGMSSA-N 1 0 261.325 2.634 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362070505 275039748 /nfs/dbraw/zinc/03/97/48/275039748.db2.gz XLELLFYYMOSMJZ-OAHLLOKOSA-N 1 0 289.379 2.655 20 5 CFBDRO CCC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000296364253 276025988 /nfs/dbraw/zinc/02/59/88/276025988.db2.gz SCHSTPQULFOVQP-OAHLLOKOSA-N 1 0 278.352 2.720 20 5 CFBDRO CCC[C@H](C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453578807 276039706 /nfs/dbraw/zinc/03/97/06/276039706.db2.gz RGCCMVFMRTYBAW-ZDUSSCGKSA-N 1 0 292.383 2.548 20 5 CFBDRO CCC[C@](C)(CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000304819459 276051080 /nfs/dbraw/zinc/05/10/80/276051080.db2.gz BMQHJCLAVFSPPI-PMGBHYCQSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000236659841 276053603 /nfs/dbraw/zinc/05/36/03/276053603.db2.gz MMAOXBXHWJUAKA-ZDUSSCGKSA-N 1 0 278.352 2.987 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000267207732 276073501 /nfs/dbraw/zinc/07/35/01/276073501.db2.gz GZAUKCTVIIKDPT-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266639946 276073542 /nfs/dbraw/zinc/07/35/42/276073542.db2.gz TUQDBZWNHYKNDL-KGLIPLIRSA-N 1 0 291.395 2.929 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360082015 276120804 /nfs/dbraw/zinc/12/08/04/276120804.db2.gz IYWAXRGUEZYDNO-LBPRGKRZSA-N 1 0 295.358 2.963 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000340668889 276123343 /nfs/dbraw/zinc/12/33/43/276123343.db2.gz LVXMYWNDWDBRMZ-UHFFFAOYSA-N 1 0 291.395 2.903 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359099103 276250895 /nfs/dbraw/zinc/25/08/95/276250895.db2.gz OAASGUOUEPYALT-OLZOCXBDSA-N 1 0 292.383 2.526 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000361260485 276394436 /nfs/dbraw/zinc/39/44/36/276394436.db2.gz DVLZJVGUINEHNP-QWHCGFSZSA-N 1 0 292.383 2.607 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000362975204 276559958 /nfs/dbraw/zinc/55/99/58/276559958.db2.gz DQKOPJFQEPVGKP-XHDPSFHLSA-N 1 0 296.367 2.754 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000439659193 276871550 /nfs/dbraw/zinc/87/15/50/276871550.db2.gz DMYXOMJPUNWWGF-JQWIXIFHSA-N 1 0 267.304 2.629 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347231114 277026379 /nfs/dbraw/zinc/02/63/79/277026379.db2.gz YCXZVGZYHOBSLV-GPAKFWEMSA-N 1 0 289.379 2.539 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000268895850 277084481 /nfs/dbraw/zinc/08/44/81/277084481.db2.gz YUQLQHOSTIJYMU-WCQYABFASA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000364300885 277178345 /nfs/dbraw/zinc/17/83/45/277178345.db2.gz HCDQRWFVSWHULY-HZMBPMFUSA-N 1 0 295.770 2.779 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000044656776 277204398 /nfs/dbraw/zinc/20/43/98/277204398.db2.gz RBYXQYHQULEUJR-NSHDSACASA-N 1 0 252.314 2.672 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192796047 277552179 /nfs/dbraw/zinc/55/21/79/277552179.db2.gz YKHARJLTMKYDSY-NHYWBVRUSA-N 1 0 278.352 2.987 20 5 CFBDRO COC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000352964901 277568988 /nfs/dbraw/zinc/56/89/88/277568988.db2.gz HYFGVBIDOHYSHV-CYBMUJFWSA-N 1 0 298.770 2.805 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000347235509 278288829 /nfs/dbraw/zinc/28/88/29/278288829.db2.gz RYPHSNFLSIQREZ-JTQLQIEISA-N 1 0 284.381 2.782 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246819231 278347100 /nfs/dbraw/zinc/34/71/00/278347100.db2.gz BBLFBEZZRZLULC-ZIAGYGMSSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000361972092 278359280 /nfs/dbraw/zinc/35/92/80/278359280.db2.gz PDRSLVBOYAGONH-LLVKDONJSA-N 1 0 259.309 2.784 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000163922592 278364746 /nfs/dbraw/zinc/36/47/46/278364746.db2.gz VHMQSIAKGIEFPQ-WDEREUQCSA-N 1 0 274.324 2.740 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000358357648 278380012 /nfs/dbraw/zinc/38/00/12/278380012.db2.gz QYTXWQSXCSQYEE-SCZZXKLOSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000235608465 278519987 /nfs/dbraw/zinc/51/99/87/278519987.db2.gz PHKLPXBZIAYNGM-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO CC[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423358658 288073296 /nfs/dbraw/zinc/07/32/96/288073296.db2.gz JPTOTPWVJPZPHN-TUKIKUTGSA-N 1 0 277.368 2.634 20 5 CFBDRO CC[NH+]1CCC(N(C)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000359843037 279257793 /nfs/dbraw/zinc/25/77/93/279257793.db2.gz QINMMVHUNIAXGV-UHFFFAOYSA-N 1 0 295.358 2.963 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049553702 279258147 /nfs/dbraw/zinc/25/81/47/279258147.db2.gz MHQWFQVFEKAPSS-NEPJUHHUSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340458428 279390796 /nfs/dbraw/zinc/39/07/96/279390796.db2.gz GHDDNSMIXQLUPO-TUAOUCFPSA-N 1 0 284.335 2.613 20 5 CFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000358173079 279466811 /nfs/dbraw/zinc/46/68/11/279466811.db2.gz IYNNGJGKWQYTMP-ZFWWWQNUSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447516780 279504528 /nfs/dbraw/zinc/50/45/28/279504528.db2.gz HWSHESZZXNRLIC-UHTWSYAYSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccccc1[N+](=O)[O-] ZINC000275109610 279537244 /nfs/dbraw/zinc/53/72/44/279537244.db2.gz HAODMHJKUNYVTM-OBJOEFQTSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000286415315 280101985 /nfs/dbraw/zinc/10/19/85/280101985.db2.gz MOAZYGUBXWAMAP-FZMZJTMJSA-N 1 0 293.342 2.797 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccoc2)n1 ZINC000447542577 280377489 /nfs/dbraw/zinc/37/74/89/280377489.db2.gz PLTBIGTUIACDJK-QWHCGFSZSA-N 1 0 290.323 2.658 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070272220 280483288 /nfs/dbraw/zinc/48/32/88/280483288.db2.gz PJVJOVJKSIVBIN-NSHDSACASA-N 1 0 280.324 2.589 20 5 CFBDRO Cc1cccc(NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000133485384 280744624 /nfs/dbraw/zinc/74/46/24/280744624.db2.gz JHQFCBZFVHGBGA-UHFFFAOYSA-N 1 0 292.364 2.561 20 5 CFBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191828351 280906293 /nfs/dbraw/zinc/90/62/93/280906293.db2.gz LFZLUIPSCNMYEA-OLZOCXBDSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C ZINC000249332874 281055717 /nfs/dbraw/zinc/05/57/17/281055717.db2.gz HRVBVIWEYASMOV-TZMCWYRMSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000252931537 281079219 /nfs/dbraw/zinc/07/92/19/281079219.db2.gz URPKXAWJUJUZHC-HUUCEWRRSA-N 1 0 278.352 2.639 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000304144757 281148861 /nfs/dbraw/zinc/14/88/61/281148861.db2.gz WRQLKVGFEHXYIM-LLVKDONJSA-N 1 0 266.341 2.579 20 5 CFBDRO Cc1cccc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000302471582 281228058 /nfs/dbraw/zinc/22/80/58/281228058.db2.gz CZTMTLIRMYMXPH-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000133465087 281260435 /nfs/dbraw/zinc/26/04/35/281260435.db2.gz KRDBYMZLGAHVQL-ZIAGYGMSSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000459455875 281265429 /nfs/dbraw/zinc/26/54/29/281265429.db2.gz GXUUKXAVCZBKMT-UHFFFAOYSA-N 1 0 295.726 2.877 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000515432981 281293211 /nfs/dbraw/zinc/29/32/11/281293211.db2.gz MVOGLNVVRFDNIA-XUJVJEKNSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1 ZINC000520229164 281309469 /nfs/dbraw/zinc/30/94/69/281309469.db2.gz CTLMVKRATDLRJM-RYUDHWBXSA-N 1 0 252.289 2.965 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000538394820 281552396 /nfs/dbraw/zinc/55/23/96/281552396.db2.gz QGEODZXUCUNJAT-TUKIKUTGSA-N 1 0 292.379 2.786 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000556149542 281928062 /nfs/dbraw/zinc/92/80/62/281928062.db2.gz CKNKPCNGJOWGSN-PTEHBNRSSA-N 1 0 294.351 2.649 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000558259456 281979192 /nfs/dbraw/zinc/97/91/92/281979192.db2.gz VOGREVKRWGIWFP-DZGCQCFKSA-N 1 0 294.395 2.770 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000562059951 282066058 /nfs/dbraw/zinc/06/60/58/282066058.db2.gz RROGMHDKOIEFGF-STQMWFEESA-N 1 0 280.368 2.818 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152732932 292676909 /nfs/dbraw/zinc/67/69/09/292676909.db2.gz JZHVLWLSNSCYEL-CMPLNLGQSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000278049205 290055053 /nfs/dbraw/zinc/05/50/53/290055053.db2.gz XXYJNDFPIFIVHI-MDZLAQPJSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000563419269 290147026 /nfs/dbraw/zinc/14/70/26/290147026.db2.gz SPHWPNAOTHXGEL-RISCZKNCSA-N 1 0 276.336 2.598 20 5 CFBDRO CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563732569 290171834 /nfs/dbraw/zinc/17/18/34/290171834.db2.gz MNTYJYFEXRQMJQ-DOMZBBRYSA-N 1 0 291.395 2.900 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000269098377 290175622 /nfs/dbraw/zinc/17/56/22/290175622.db2.gz PXXXONTYMXEYDZ-WCQYABFASA-N 1 0 293.342 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCCO1 ZINC000564586150 290217668 /nfs/dbraw/zinc/21/76/68/290217668.db2.gz VQOVLNVAPWRNRX-BXUZGUMPSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1cc2cnn(CC[C@H]3CC[NH2+]C3)c2c(Cl)c1 ZINC000564840373 290239145 /nfs/dbraw/zinc/23/91/45/290239145.db2.gz MWICGYSIGQTZSO-SECBINFHSA-N 1 0 294.742 2.598 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cccc(F)c2[N+](=O)[O-])C1 ZINC000277010347 290241234 /nfs/dbraw/zinc/24/12/34/290241234.db2.gz LIEISYWDCPUTLV-AAEUAGOBSA-N 1 0 293.342 2.654 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292116393 290268114 /nfs/dbraw/zinc/26/81/14/290268114.db2.gz JQNRKQKADOMMCQ-CJNGLKHVSA-N 1 0 289.379 2.683 20 5 CFBDRO CCC[C@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217554 290283139 /nfs/dbraw/zinc/28/31/39/290283139.db2.gz MFQUUCHWYJCACP-IUODEOHRSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCC(CO)CC1 ZINC000565591889 290311718 /nfs/dbraw/zinc/31/17/18/290311718.db2.gz RRPKXTNZSHFAPT-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO CCN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474187 290390638 /nfs/dbraw/zinc/39/06/38/290390638.db2.gz FPYQCQRQTWTXPF-HNNXBMFYSA-N 1 0 289.379 2.656 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCCN2CCC2)cc1[N+](=O)[O-] ZINC000566475333 290391105 /nfs/dbraw/zinc/39/11/05/290391105.db2.gz YCHLSZVOORPSBO-UHFFFAOYSA-N 1 0 291.395 2.904 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[C@H](C)O ZINC000566476452 290391924 /nfs/dbraw/zinc/39/19/24/290391924.db2.gz ZLCWWIOARFTZCQ-UHIISALHSA-N 1 0 278.352 2.579 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC[C@H]1CCOC1 ZINC000567366735 290459134 /nfs/dbraw/zinc/45/91/34/290459134.db2.gz IMQBDHDIERYSET-SWLSCSKDSA-N 1 0 290.363 2.988 20 5 CFBDRO [NH3+]C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420356240 303393212 /nfs/dbraw/zinc/39/32/12/303393212.db2.gz GHHQATGVEWNNJO-CQSZACIVSA-N 1 0 277.368 2.592 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC000162762703 322368530 /nfs/dbraw/zinc/36/85/30/322368530.db2.gz YQUKTSOHOVKYFE-BXUZGUMPSA-N 1 0 266.341 2.571 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccoc1 ZINC000171050707 322399033 /nfs/dbraw/zinc/39/90/33/322399033.db2.gz JULXPLBMCSRUFA-HWKANZROSA-N 1 0 258.277 2.991 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN(C)C ZINC000570345844 322527779 /nfs/dbraw/zinc/52/77/79/322527779.db2.gz WUAIUIHTPQYLBH-RPHSKFLZSA-N 1 0 277.368 2.538 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000575069813 322717499 /nfs/dbraw/zinc/71/74/99/322717499.db2.gz JMMCLIXAGZBGGU-ZDUSSCGKSA-N 1 0 264.325 2.752 20 5 CFBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000182345801 323858615 /nfs/dbraw/zinc/85/86/15/323858615.db2.gz ALFXXEBIRUSWFR-LSDHHAIUSA-N 1 0 294.351 2.521 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000382418969 324428288 /nfs/dbraw/zinc/42/82/88/324428288.db2.gz IUXYFXPYYRRBPM-WDEREUQCSA-N 1 0 286.335 2.825 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1(C[NH3+])CCC1 ZINC000385299783 324459933 /nfs/dbraw/zinc/45/99/33/324459933.db2.gz DRRUMPXEFABALZ-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000394034323 324533248 /nfs/dbraw/zinc/53/32/48/324533248.db2.gz FTIGVCQECJYIDS-OCCSQVGLSA-N 1 0 280.368 2.818 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000576039962 324569577 /nfs/dbraw/zinc/56/95/77/324569577.db2.gz UUMBXZLZYDVNKV-USWWRNFRSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC1(C)C ZINC000576289506 324600010 /nfs/dbraw/zinc/60/00/10/324600010.db2.gz GYKFNRLOMBHSMA-GFCCVEGCSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1ncncc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000576767020 324657634 /nfs/dbraw/zinc/65/76/34/324657634.db2.gz FHIXDJVFGRZNEJ-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@H]1C ZINC000578252907 324833596 /nfs/dbraw/zinc/83/35/96/324833596.db2.gz VBXYLHFUGQJUSH-GYSYKLTISA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@@H]1C ZINC000578252909 324833797 /nfs/dbraw/zinc/83/37/97/324833797.db2.gz VBXYLHFUGQJUSH-MISXGVKJSA-N 1 0 291.351 2.700 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000579259293 324936745 /nfs/dbraw/zinc/93/67/45/324936745.db2.gz QJXFWUIGFNBXKN-CQSZACIVSA-N 1 0 276.336 2.896 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC000580193775 325014934 /nfs/dbraw/zinc/01/49/34/325014934.db2.gz UCESPPURRNNYIC-VXGBXAGGSA-N 1 0 252.289 2.965 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N(C)CCC[NH+]1CCCC1 ZINC000580903228 325074158 /nfs/dbraw/zinc/07/41/58/325074158.db2.gz SCXILHBILFECLQ-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000580929057 325075236 /nfs/dbraw/zinc/07/52/36/325075236.db2.gz LSEDDCAWAFZXTK-KCQAQPDRSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580963457 325078956 /nfs/dbraw/zinc/07/89/56/325078956.db2.gz RQGNVEVYWJHLJJ-BXUZGUMPSA-N 1 0 292.379 2.969 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000581260182 325106214 /nfs/dbraw/zinc/10/62/14/325106214.db2.gz FPEJLQOGQMVDNX-NWDGAFQWSA-N 1 0 293.367 2.888 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581498723 325127592 /nfs/dbraw/zinc/12/75/92/325127592.db2.gz IDOMWJFOQMUEGC-GXFFZTMASA-N 1 0 264.325 2.597 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000583938222 325320099 /nfs/dbraw/zinc/32/00/99/325320099.db2.gz PNSJGFMRNRVRAU-ONGXEEELSA-N 1 0 272.370 2.543 20 5 CFBDRO CCC[N@H+](CC)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000223249549 521609590 /nfs/dbraw/zinc/60/95/90/521609590.db2.gz JWOGUCKDYVJFGI-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO COc1cc(C[NH2+]C[C@H]2CC23CC3)c([N+](=O)[O-])cc1OC ZINC000418091544 533881668 /nfs/dbraw/zinc/88/16/68/533881668.db2.gz GRLFXTMSGUDOLS-LLVKDONJSA-N 1 0 292.335 2.502 20 5 CFBDRO Cc1c(NC(=O)N[C@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000414716068 533914080 /nfs/dbraw/zinc/91/40/80/533914080.db2.gz WQESQTQFXVQXOG-SNVBAGLBSA-N 1 0 294.355 2.542 20 5 CFBDRO COC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444034 522579541 /nfs/dbraw/zinc/57/95/41/522579541.db2.gz CZLVNWULWZLDGV-SECBINFHSA-N 1 0 272.732 2.620 20 5 CFBDRO Cc1cc(NC(=O)N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000415420507 533976717 /nfs/dbraw/zinc/97/67/17/533976717.db2.gz SQBYZRGPNWJNKI-LLVKDONJSA-N 1 0 294.355 2.542 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426234686 534095505 /nfs/dbraw/zinc/09/55/05/534095505.db2.gz AFVMSEXEGVUBPO-NILFDRSVSA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCS1 ZINC000133567563 534267811 /nfs/dbraw/zinc/26/78/11/534267811.db2.gz JGZIVGTYVWWQBF-ZDUSSCGKSA-N 1 0 266.366 2.970 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000221680273 519619045 /nfs/dbraw/zinc/61/90/45/519619045.db2.gz DBZPJWDLUQOOBE-UHFFFAOYSA-N 1 0 269.320 2.876 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000054128271 519627149 /nfs/dbraw/zinc/62/71/49/519627149.db2.gz NGECMUVDRGLFBD-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CC1(C)CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000160275285 520390624 /nfs/dbraw/zinc/39/06/24/520390624.db2.gz ULVWEGPRQKELPT-ZDUSSCGKSA-N 1 0 264.325 2.642 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1cc(C)c([N+](=O)[O-])cn1 ZINC000190966378 520593973 /nfs/dbraw/zinc/59/39/73/520593973.db2.gz XTSNWSQIDLQQQL-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771865 520722749 /nfs/dbraw/zinc/72/27/49/520722749.db2.gz OCDNKCCVSPEIPC-SNVBAGLBSA-N 1 0 291.355 2.613 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224460710 520777916 /nfs/dbraw/zinc/77/79/16/520777916.db2.gz YJKXMAKKEREVBB-NEPJUHHUSA-N 1 0 288.294 2.652 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076055803 520846483 /nfs/dbraw/zinc/84/64/83/520846483.db2.gz XZUMPGNVFGIGBG-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000230717917 521010565 /nfs/dbraw/zinc/01/05/65/521010565.db2.gz BKNMBTFZDIEZLH-UHFFFAOYSA-N 1 0 293.367 2.575 20 5 CFBDRO CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208359 521015751 /nfs/dbraw/zinc/01/57/51/521015751.db2.gz HOKHNDIXJVUVRC-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000156859224 521367068 /nfs/dbraw/zinc/36/70/68/521367068.db2.gz NCSKVHZOSFDYBE-CYBMUJFWSA-N 1 0 280.372 2.692 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000142085041 521824075 /nfs/dbraw/zinc/82/40/75/521824075.db2.gz HPCCKKCGISOPCP-TUAOUCFPSA-N 1 0 293.367 2.946 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311331656 522519861 /nfs/dbraw/zinc/51/98/61/522519861.db2.gz ADVKORLQUTXLIU-NSHDSACASA-N 1 0 266.341 2.540 20 5 CFBDRO C[N@H+](CCNc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000062010242 522869214 /nfs/dbraw/zinc/86/92/14/522869214.db2.gz GRINSCKQHPZUER-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576676 522933349 /nfs/dbraw/zinc/93/33/49/522933349.db2.gz FXOVZXBZHRHKNK-BXUZGUMPSA-N 1 0 265.357 2.586 20 5 CFBDRO CC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076073142 523280270 /nfs/dbraw/zinc/28/02/70/523280270.db2.gz XEVSQHAXJLWSCT-AWEZNQCLSA-N 1 0 296.392 2.801 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000360843099 523402255 /nfs/dbraw/zinc/40/22/55/523402255.db2.gz ZJOTWSRYGNYRRG-CMPLNLGQSA-N 1 0 266.341 2.979 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000050373047 523632965 /nfs/dbraw/zinc/63/29/65/523632965.db2.gz HYUGMTJPAQOYNA-GXTWGEPZSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444052 523662289 /nfs/dbraw/zinc/66/22/89/523662289.db2.gz GKWZUNGOMJHUGA-DGCLKSJQSA-N 1 0 284.743 2.905 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000234844228 523760517 /nfs/dbraw/zinc/76/05/17/523760517.db2.gz ZCPWYRORSBBUHI-ZIAGYGMSSA-N 1 0 278.352 2.806 20 5 CFBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000312694650 523797901 /nfs/dbraw/zinc/79/79/01/523797901.db2.gz FMSANJALFPGXDS-AWEZNQCLSA-N 1 0 282.315 2.639 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000170916323 523922922 /nfs/dbraw/zinc/92/29/22/523922922.db2.gz RISVJOQYTYLFHD-NSHDSACASA-N 1 0 252.314 2.704 20 5 CFBDRO C[C@H](CO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305823958 524567067 /nfs/dbraw/zinc/56/70/67/524567067.db2.gz MCOPCTXQSHTVHJ-MLGOLLRUSA-N 1 0 286.331 2.655 20 5 CFBDRO Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000295056960 524572435 /nfs/dbraw/zinc/57/24/35/524572435.db2.gz PZHNXGVOJXZJPH-GOOCMWNKSA-N 1 0 289.379 2.618 20 5 CFBDRO Cc1cc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000048554604 525264751 /nfs/dbraw/zinc/26/47/51/525264751.db2.gz NNJSJIXTSRPYQG-UHFFFAOYSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1cc(NCC(C)(C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000312054629 525266658 /nfs/dbraw/zinc/26/66/58/525266658.db2.gz DRTPHSDKKNJJGH-UHFFFAOYSA-N 1 0 269.320 2.794 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087015685 525319512 /nfs/dbraw/zinc/31/95/12/525319512.db2.gz NMWOQCCVGKQQQC-NSHDSACASA-N 1 0 264.325 2.551 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000230061311 525363426 /nfs/dbraw/zinc/36/34/26/525363426.db2.gz JPNZYWRPXZSDFH-NWDGAFQWSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000087015696 525422024 /nfs/dbraw/zinc/42/20/24/525422024.db2.gz HXHLPPUNBLLJSA-LLVKDONJSA-N 1 0 264.325 2.551 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C ZINC000174415832 525458253 /nfs/dbraw/zinc/45/82/53/525458253.db2.gz HQEYTNSBACTJNI-JTQLQIEISA-N 1 0 250.298 2.588 20 5 CFBDRO Cc1cccnc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000295058749 525510484 /nfs/dbraw/zinc/51/04/84/525510484.db2.gz QBRUGTWFGBKKST-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1ccnc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000360277545 525690092 /nfs/dbraw/zinc/69/00/92/525690092.db2.gz DBHCWPAMYKSZJR-BETUJISGSA-N 1 0 292.383 2.973 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173430318 525690557 /nfs/dbraw/zinc/69/05/57/525690557.db2.gz AOBIKSRCBBWLSE-MFKMUULPSA-N 1 0 286.335 2.526 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883499 525727336 /nfs/dbraw/zinc/72/73/36/525727336.db2.gz RCDARQMWUSEKFT-ZWNOBZJWSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157919640 525729867 /nfs/dbraw/zinc/72/98/67/525729867.db2.gz CBWVAYOWGNJQNL-LSDHHAIUSA-N 1 0 289.379 2.620 20 5 CFBDRO Cc1c(NC(=O)CCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000050944581 525831020 /nfs/dbraw/zinc/83/10/20/525831020.db2.gz UOKLEIBXFYXZOC-UHFFFAOYSA-N 1 0 291.351 2.622 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426473865 534886644 /nfs/dbraw/zinc/88/66/44/534886644.db2.gz RQBUKQJZVVIFKO-WFASDCNBSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000305195439 525917086 /nfs/dbraw/zinc/91/70/86/525917086.db2.gz ZEKPBBPKYROVJK-SWLSCSKDSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)c1 ZINC000084726440 526063042 /nfs/dbraw/zinc/06/30/42/526063042.db2.gz QSSTVDPPZUZDAQ-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000269134567 536475612 /nfs/dbraw/zinc/47/56/12/536475612.db2.gz PCAFIPUUGWFIAR-CHWSQXEVSA-N 1 0 295.408 2.572 20 5 CFBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OCC1CC1 ZINC000414520079 527171991 /nfs/dbraw/zinc/17/19/91/527171991.db2.gz YVTHCFZIPAFOPA-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1Cl ZINC000230315375 527331057 /nfs/dbraw/zinc/33/10/57/527331057.db2.gz BMCNOLWYTTWEAO-GXTWGEPZSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1Cl ZINC000230315372 527331344 /nfs/dbraw/zinc/33/13/44/527331344.db2.gz BMCNOLWYTTWEAO-TZMCWYRMSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(NCCC[NH+]2CCCC2)c(F)c1 ZINC000227887733 527337175 /nfs/dbraw/zinc/33/71/75/527337175.db2.gz VWRIOAXRZWAQOH-UHFFFAOYSA-N 1 0 285.294 2.771 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)c(F)c1 ZINC000313329732 527351724 /nfs/dbraw/zinc/35/17/24/527351724.db2.gz LCVJZDUEMIVQKJ-UONOGXRCSA-N 1 0 282.315 2.517 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000360537096 527385904 /nfs/dbraw/zinc/38/59/04/527385904.db2.gz OHWHKAVXWPGLHG-GJZGRUSLSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000061589589 527386503 /nfs/dbraw/zinc/38/65/03/527386503.db2.gz BSNRWQFLUKZRSA-NSHDSACASA-N 1 0 252.339 2.580 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000236046432 527388333 /nfs/dbraw/zinc/38/83/33/527388333.db2.gz PRNZVIHNZSNFAB-TZMCWYRMSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000374367496 527398559 /nfs/dbraw/zinc/39/85/59/527398559.db2.gz VZYPGSHZMQRJEN-OAHLLOKOSA-N 1 0 290.363 2.686 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156405304 527400790 /nfs/dbraw/zinc/40/07/90/527400790.db2.gz JLZQRJYELCPPHW-HNNXBMFYSA-N 1 0 299.330 2.643 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCF)n1 ZINC000361002979 527407969 /nfs/dbraw/zinc/40/79/69/527407969.db2.gz MOIZEBGSKSWOLG-NWDGAFQWSA-N 1 0 284.335 2.614 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000417988686 527743230 /nfs/dbraw/zinc/74/32/30/527743230.db2.gz PVQKLRIDMYYFJV-LBPRGKRZSA-N 1 0 298.770 2.948 20 5 CFBDRO CCC[N@H+](CC)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000156770173 527979236 /nfs/dbraw/zinc/97/92/36/527979236.db2.gz UHMAEOMCLVIORX-ZDUSSCGKSA-N 1 0 279.384 2.977 20 5 CFBDRO CC(C)c1ccc(CNC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414902965 528100246 /nfs/dbraw/zinc/10/02/46/528100246.db2.gz ZAKZDHLQZITXSA-CQSZACIVSA-N 1 0 277.368 2.545 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000418107019 528101947 /nfs/dbraw/zinc/10/19/47/528101947.db2.gz CZONLMKFHGTGJF-JNSHFYNHSA-N 1 0 278.352 2.721 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120157871 528102477 /nfs/dbraw/zinc/10/24/77/528102477.db2.gz ONTLBXJORIKLIK-OAHLLOKOSA-N 1 0 278.352 2.987 20 5 CFBDRO CCOc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420291568 528326900 /nfs/dbraw/zinc/32/69/00/528326900.db2.gz VTHNDTBKTWTECF-VXGBXAGGSA-N 1 0 293.367 2.923 20 5 CFBDRO CC[NH2+]CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414822771 528329547 /nfs/dbraw/zinc/32/95/47/528329547.db2.gz HAXGZEXAICMRAV-UHFFFAOYSA-N 1 0 289.335 2.554 20 5 CFBDRO CCC[NH2+]CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423306028 528514903 /nfs/dbraw/zinc/51/49/03/528514903.db2.gz DFTMLAIECMQTNX-HNNXBMFYSA-N 1 0 291.395 2.505 20 5 CFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000414614597 528555937 /nfs/dbraw/zinc/55/59/37/528555937.db2.gz HHFACYDRFYNPOD-NSHDSACASA-N 1 0 294.286 2.830 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000427869908 528978675 /nfs/dbraw/zinc/97/86/75/528978675.db2.gz DPAXMFXRJBXMJA-STQMWFEESA-N 1 0 280.368 2.931 20 5 CFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000413008961 529005220 /nfs/dbraw/zinc/00/52/20/529005220.db2.gz ZRCRQUWHTKHNPH-CYBMUJFWSA-N 1 0 292.383 2.932 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414531306 529182716 /nfs/dbraw/zinc/18/27/16/529182716.db2.gz RSNQUYWIRVAOPW-HIFRSBDPSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(C)C ZINC000414527182 529184970 /nfs/dbraw/zinc/18/49/70/529184970.db2.gz MJRIVSIMHVMCOQ-HUUCEWRRSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000131902017 529201062 /nfs/dbraw/zinc/20/10/62/529201062.db2.gz KNUMBPDSTWZRNB-GXTWGEPZSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)(CCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231402984 535047214 /nfs/dbraw/zinc/04/72/14/535047214.db2.gz VHNNNTZSBGZJPI-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO CC(C)([NH2+]C[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000342220579 535251118 /nfs/dbraw/zinc/25/11/18/535251118.db2.gz CGFRHJNNJYUJKK-GFCCVEGCSA-N 1 0 278.352 2.846 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000727824847 574067272 /nfs/dbraw/zinc/06/72/72/574067272.db2.gz UJIWNPNIKPKFGN-LBPRGKRZSA-N 1 0 274.324 2.776 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049996 574132236 /nfs/dbraw/zinc/13/22/36/574132236.db2.gz ZYSQFEMSHPYTBJ-OLZOCXBDSA-N 1 0 277.368 2.730 20 5 CFBDRO C[Si](C)(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729266693 574194827 /nfs/dbraw/zinc/19/48/27/574194827.db2.gz CQWZRQUAGZVCKO-UHFFFAOYSA-N 1 0 293.443 2.594 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755922758 574198474 /nfs/dbraw/zinc/19/84/74/574198474.db2.gz JFEGDIOQBJKDLW-LBPRGKRZSA-N 1 0 288.351 2.880 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000747576354 574201875 /nfs/dbraw/zinc/20/18/75/574201875.db2.gz RWGRMKDSJRASGT-CYBMUJFWSA-N 1 0 292.335 2.626 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCN(C3CCC3)CC2)c(Cl)c1 ZINC000733301788 574219928 /nfs/dbraw/zinc/21/99/28/574219928.db2.gz BZTXVCGQIIWNFO-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000733300108 574220119 /nfs/dbraw/zinc/22/01/19/574220119.db2.gz MTKGGDGRJHQNSA-GFCCVEGCSA-N 1 0 263.341 2.562 20 5 CFBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000748245834 574243240 /nfs/dbraw/zinc/24/32/40/574243240.db2.gz FAMKZEBVQUEABQ-OAHLLOKOSA-N 1 0 294.351 2.725 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881422 574272299 /nfs/dbraw/zinc/27/22/99/574272299.db2.gz BAAXAGXFLQERFM-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC1(C)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750051557 574322469 /nfs/dbraw/zinc/32/24/69/574322469.db2.gz JBLLYSRFPYSNBG-CQSZACIVSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[NH+](CC)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000743356744 574359982 /nfs/dbraw/zinc/35/99/82/574359982.db2.gz RBCYFHSPXPEIPB-UHFFFAOYSA-N 1 0 294.380 2.958 20 5 CFBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000175263959 617607707 /nfs/dbraw/zinc/60/77/07/617607707.db2.gz AQLIZVHVBJIWLS-SWLSCSKDSA-N 1 0 286.335 2.627 20 5 CFBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261957347 617654336 /nfs/dbraw/zinc/65/43/36/617654336.db2.gz OTNZAKYOBJOPEJ-GFCCVEGCSA-N 1 0 297.786 2.680 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000891871163 617795415 /nfs/dbraw/zinc/79/54/15/617795415.db2.gz ZBRGZIYUPGXFJN-UHFFFAOYSA-N 1 0 280.324 2.683 20 5 CFBDRO COC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000934029901 617870651 /nfs/dbraw/zinc/87/06/51/617870651.db2.gz OQDBSYMQXITWJD-ZDUSSCGKSA-N 1 0 294.351 2.662 20 5 CFBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000934031377 617872914 /nfs/dbraw/zinc/87/29/14/617872914.db2.gz VNQLBNORHYUTPS-CYBMUJFWSA-N 1 0 294.351 2.662 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892066275 617934029 /nfs/dbraw/zinc/93/40/29/617934029.db2.gz TUYKISXJSJGUBM-QWRGUYRKSA-N 1 0 294.351 2.787 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000892146534 617972312 /nfs/dbraw/zinc/97/23/12/617972312.db2.gz WDIMHXPSLFVYNO-LLVKDONJSA-N 1 0 292.335 2.541 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC000892217280 618006118 /nfs/dbraw/zinc/00/61/18/618006118.db2.gz DHDPEQILOSFUCY-JTQLQIEISA-N 1 0 294.351 2.929 20 5 CFBDRO C[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000158666856 618075789 /nfs/dbraw/zinc/07/57/89/618075789.db2.gz WRXOHLNADAEBEV-UONOGXRCSA-N 1 0 296.392 2.504 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCS[C@H]2C)cccc1[N+](=O)[O-] ZINC000235373205 618112418 /nfs/dbraw/zinc/11/24/18/618112418.db2.gz BEVOVXHUUSTJRM-CMPLNLGQSA-N 1 0 266.366 2.887 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000934766710 618125512 /nfs/dbraw/zinc/12/55/12/618125512.db2.gz JXHPRDYUEKQEHM-RISCZKNCSA-N 1 0 296.367 2.919 20 5 CFBDRO CSCCCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000235146811 618145046 /nfs/dbraw/zinc/14/50/46/618145046.db2.gz CEXWFVGUWMOULO-AWEZNQCLSA-N 1 0 298.408 2.751 20 5 CFBDRO C[NH+]1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000234315329 618198469 /nfs/dbraw/zinc/19/84/69/618198469.db2.gz FLRPOIXUUUKHBX-UHFFFAOYSA-N 1 0 287.722 2.893 20 5 CFBDRO COc1c(O)ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891446347 618209382 /nfs/dbraw/zinc/20/93/82/618209382.db2.gz XYIXCEWXYUOQII-GHMZBOCLSA-N 1 0 294.351 2.787 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCS[C@H]2C)cccc1[N+](=O)[O-] ZINC000235308885 618233337 /nfs/dbraw/zinc/23/33/37/618233337.db2.gz BEVOVXHUUSTJRM-JQWIXIFHSA-N 1 0 266.366 2.887 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892445908 618281707 /nfs/dbraw/zinc/28/17/07/618281707.db2.gz CXPYFYDQCASUBD-JQWIXIFHSA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(=O)OC ZINC000895138812 618369348 /nfs/dbraw/zinc/36/93/48/618369348.db2.gz ICIQFUILCNMQSH-GFCCVEGCSA-N 1 0 294.351 2.500 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000062351035 618376465 /nfs/dbraw/zinc/37/64/65/618376465.db2.gz GLEISPVGKYBEDS-KRWDZBQOSA-N 1 0 298.342 2.687 20 5 CFBDRO CC1=NO[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895306327 618522406 /nfs/dbraw/zinc/52/24/06/618522406.db2.gz CNFQDJCQVTVOLV-JTQLQIEISA-N 1 0 283.715 2.503 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833642 618729770 /nfs/dbraw/zinc/72/97/70/618729770.db2.gz AKANMBVZJFONRA-SRRSOLGSSA-N 1 0 264.325 2.669 20 5 CFBDRO CCC(C)(C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892779981 618745198 /nfs/dbraw/zinc/74/51/98/618745198.db2.gz ZDODYPIYZBYBQN-UHFFFAOYSA-N 1 0 268.313 2.587 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000926891228 618806083 /nfs/dbraw/zinc/80/60/83/618806083.db2.gz HOPBVSSIPNRCIU-YVLXSGLVSA-N 1 0 276.336 2.813 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]Cc3ccccc32)cs1 ZINC000062818266 618890630 /nfs/dbraw/zinc/89/06/30/618890630.db2.gz VMCAQBFVWQMEJC-UHFFFAOYSA-N 1 0 289.360 2.766 20 5 CFBDRO CCOC(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000093446876 619023197 /nfs/dbraw/zinc/02/31/97/619023197.db2.gz OIACNZZQNMOFPS-GFCCVEGCSA-N 1 0 296.367 2.953 20 5 CFBDRO C[NH2+]C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633640 619041779 /nfs/dbraw/zinc/04/17/79/619041779.db2.gz DBVODDNVGYQAMF-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000149856491 619047760 /nfs/dbraw/zinc/04/77/60/619047760.db2.gz HUNWVUQNZAOMRW-LBPRGKRZSA-N 1 0 266.366 2.888 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000925790614 619115503 /nfs/dbraw/zinc/11/55/03/619115503.db2.gz JIOIYKRRIHDZER-IVMMDQJWSA-N 1 0 291.395 2.881 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1Cl ZINC000840978028 619207517 /nfs/dbraw/zinc/20/75/17/619207517.db2.gz KYNFPYGNGGXFBR-NWDGAFQWSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1ncoc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000894739128 619455290 /nfs/dbraw/zinc/45/52/90/619455290.db2.gz JCOOMWUFZZZOPL-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000894944347 619514983 /nfs/dbraw/zinc/51/49/83/619514983.db2.gz PDHBQDMXPNOGHU-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000895565578 619559242 /nfs/dbraw/zinc/55/92/42/619559242.db2.gz ACXHJOHBQFEFBV-KOLCDFICSA-N 1 0 299.421 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000895677960 619580631 /nfs/dbraw/zinc/58/06/31/619580631.db2.gz VXXJDFDJFOZBHF-HNNXBMFYSA-N 1 0 290.363 2.829 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000895739219 619593694 /nfs/dbraw/zinc/59/36/94/619593694.db2.gz YAPPFXZPYLHMFF-PWSUYJOCSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000895738452 619597743 /nfs/dbraw/zinc/59/77/43/619597743.db2.gz LQQVUILFJZHJJO-MFKMUULPSA-N 1 0 286.335 2.648 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737644 619597814 /nfs/dbraw/zinc/59/78/14/619597814.db2.gz QKERWWCGTHVIMU-WCBMZHEXSA-N 1 0 299.758 2.761 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738277 619598131 /nfs/dbraw/zinc/59/81/31/619598131.db2.gz UKJPBPJHQJIYFK-GWCFXTLKSA-N 1 0 286.335 2.648 20 5 CFBDRO COCC1C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000895969718 619646299 /nfs/dbraw/zinc/64/62/99/619646299.db2.gz LUKBWJBCYSFPNG-WUXMJOGZSA-N 1 0 276.336 2.576 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000896512335 619747468 /nfs/dbraw/zinc/74/74/68/619747468.db2.gz NYUTWSQFHMKELA-GIPNMCIBSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000896584986 619767446 /nfs/dbraw/zinc/76/74/46/619767446.db2.gz RHBZMXVTESKUEU-DIECRNLCSA-N 1 0 276.336 2.719 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000897062100 619923705 /nfs/dbraw/zinc/92/37/05/619923705.db2.gz OVZHCLNUAUCDBT-ZDUSSCGKSA-N 1 0 278.352 2.822 20 5 CFBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155565 619994185 /nfs/dbraw/zinc/99/41/85/619994185.db2.gz WHVUEWAMRZAACJ-LSDHHAIUSA-N 1 0 292.379 2.788 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000925230827 620053304 /nfs/dbraw/zinc/05/33/04/620053304.db2.gz PSZRZIHVVCNHET-GXFFZTMASA-N 1 0 289.339 2.525 20 5 CFBDRO Cc1nnsc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464995 620177006 /nfs/dbraw/zinc/17/70/06/620177006.db2.gz QCBLFFSNPAWNDF-VIFPVBQESA-N 1 0 292.364 2.648 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465932 620177178 /nfs/dbraw/zinc/17/71/78/620177178.db2.gz LGBUNMTXWZFXFD-GHMZBOCLSA-N 1 0 266.366 2.793 20 5 CFBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925314672 620254642 /nfs/dbraw/zinc/25/46/42/620254642.db2.gz UTOGVJPPYFKYOT-HUUCEWRRSA-N 1 0 278.352 2.746 20 5 CFBDRO C[C@@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]C1 ZINC000841058386 620422949 /nfs/dbraw/zinc/42/29/49/620422949.db2.gz WWEONBUWYZWBCB-CQSZACIVSA-N 1 0 297.786 2.728 20 5 CFBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000041123773 620430601 /nfs/dbraw/zinc/43/06/01/620430601.db2.gz UCSLKNJRASIRQH-JTQLQIEISA-N 1 0 296.714 2.954 20 5 CFBDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000927097328 620452750 /nfs/dbraw/zinc/45/27/50/620452750.db2.gz UQAYWHXTVKQDCW-AAEUAGOBSA-N 1 0 295.383 2.746 20 5 CFBDRO CCOc1cc(OC[C@@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000899629482 620588479 /nfs/dbraw/zinc/58/84/79/620588479.db2.gz HZBWAJUCLDGLGJ-GFCCVEGCSA-N 1 0 294.351 2.762 20 5 CFBDRO C[NH+](C)Cc1cccc(NCc2cccnc2[N+](=O)[O-])c1 ZINC000902106079 620975055 /nfs/dbraw/zinc/97/50/55/620975055.db2.gz PTSKBYMAVNAYOH-UHFFFAOYSA-N 1 0 286.335 2.664 20 5 CFBDRO CNc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000902195064 620995970 /nfs/dbraw/zinc/99/59/70/620995970.db2.gz KLLNILLIVDLBHO-UHFFFAOYSA-N 1 0 285.347 2.969 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903074952 621243368 /nfs/dbraw/zinc/24/33/68/621243368.db2.gz QDDJRHUAJYIQOZ-RYUDHWBXSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000903085473 621246860 /nfs/dbraw/zinc/24/68/60/621246860.db2.gz CYKXZBQRTLUNPV-LBPRGKRZSA-N 1 0 295.383 2.594 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)C ZINC000903100386 621252783 /nfs/dbraw/zinc/25/27/83/621252783.db2.gz RIAQISDMBYVLOY-IAQYHMDHSA-N 1 0 296.367 2.925 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903111118 621257119 /nfs/dbraw/zinc/25/71/19/621257119.db2.gz UAMRTDLQHGIEFB-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157213 621270003 /nfs/dbraw/zinc/27/00/03/621270003.db2.gz ATHINVIRXWMQNO-AXFHLTTASA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903172323 621274464 /nfs/dbraw/zinc/27/44/64/621274464.db2.gz YAJVAGHZYLTLSZ-DGCLKSJQSA-N 1 0 296.367 2.519 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903170701 621279935 /nfs/dbraw/zinc/27/99/35/621279935.db2.gz ATHINVIRXWMQNO-VWYCJHECSA-N 1 0 282.340 2.677 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186733 621285551 /nfs/dbraw/zinc/28/55/51/621285551.db2.gz SVGUMEJWPDBOHN-VXGBXAGGSA-N 1 0 296.367 2.927 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000903246363 621294314 /nfs/dbraw/zinc/29/43/14/621294314.db2.gz TYIDPKYRCRLSFG-WDEREUQCSA-N 1 0 274.324 2.772 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000903246403 621294885 /nfs/dbraw/zinc/29/48/85/621294885.db2.gz UQUCKMNJBLNVOY-NEPJUHHUSA-N 1 0 288.351 2.783 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903247188 621305158 /nfs/dbraw/zinc/30/51/58/621305158.db2.gz ZTTIODDZSDLLNS-NJZAAPMLSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903301367 621315992 /nfs/dbraw/zinc/31/59/92/621315992.db2.gz PWUPKBHRNDMFKS-VNHYZAJKSA-N 1 0 291.395 2.598 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287783 621318894 /nfs/dbraw/zinc/31/88/94/621318894.db2.gz PYEAFUUMGYGPRW-INWMFGNUSA-N 1 0 289.379 2.872 20 5 CFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000903287505 621319312 /nfs/dbraw/zinc/31/93/12/621319312.db2.gz PPBMHHXMPORYDM-RTXFEEFZSA-N 1 0 292.335 2.587 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000903396045 621353660 /nfs/dbraw/zinc/35/36/60/621353660.db2.gz PDGGIRLYKJTWLM-GMXVVIOVSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903439429 621375964 /nfs/dbraw/zinc/37/59/64/621375964.db2.gz DYMPHDLYCDFOJK-XHVZSJERSA-N 1 0 294.326 2.810 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557450 621397314 /nfs/dbraw/zinc/39/73/14/621397314.db2.gz OHLNDSKUUKNVFB-FZMZJTMJSA-N 1 0 277.368 2.633 20 5 CFBDRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903858546 621457397 /nfs/dbraw/zinc/45/73/97/621457397.db2.gz YTYZKXKIVOVQON-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903858542 621457539 /nfs/dbraw/zinc/45/75/39/621457539.db2.gz YTYZKXKIVOVQON-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc([C@@]3(O)CCC[NH2+]C3)cc2)cc1 ZINC000904796457 621649582 /nfs/dbraw/zinc/64/95/82/621649582.db2.gz KOTZOMVXZGREJU-QGZVFWFLSA-N 1 0 298.342 2.833 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000905200284 621722022 /nfs/dbraw/zinc/72/20/22/621722022.db2.gz FKFOXZJITKPPKV-UHFFFAOYSA-N 1 0 262.353 2.656 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(CC3CC3)CC2)c1 ZINC000905422586 621765228 /nfs/dbraw/zinc/76/52/28/621765228.db2.gz JGASBSYUFQUXIQ-OAHLLOKOSA-N 1 0 290.363 2.798 20 5 CFBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000905641666 621816352 /nfs/dbraw/zinc/81/63/52/621816352.db2.gz UQXPJCJSTAPECB-AWEZNQCLSA-N 1 0 278.352 2.654 20 5 CFBDRO COc1ccc(OCC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000906508604 621995083 /nfs/dbraw/zinc/99/50/83/621995083.db2.gz ZKWMSSGLKOMBQD-LBPRGKRZSA-N 1 0 294.351 2.857 20 5 CFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000820596117 622711841 /nfs/dbraw/zinc/71/18/41/622711841.db2.gz PMJHLTDJOCECQL-CABZTGNLSA-N 1 0 283.759 2.777 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CCc2cccnc21 ZINC000226818382 623090354 /nfs/dbraw/zinc/09/03/54/623090354.db2.gz XBCVHRMXTRQPEI-ZDUSSCGKSA-N 1 0 269.304 2.767 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000877124845 623098324 /nfs/dbraw/zinc/09/83/24/623098324.db2.gz QGPHEIBBAGMSGP-SNVBAGLBSA-N 1 0 289.162 2.921 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000227441493 623109783 /nfs/dbraw/zinc/10/97/83/623109783.db2.gz VNIBRZAJEVSIJZ-ZDUSSCGKSA-N 1 0 280.368 2.792 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000822644835 623141866 /nfs/dbraw/zinc/14/18/66/623141866.db2.gz YNXPJJNJEZEDLM-NEPJUHHUSA-N 1 0 288.307 2.500 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249945 623272279 /nfs/dbraw/zinc/27/22/79/623272279.db2.gz NKYCNSBEHXHXQT-LSDHHAIUSA-N 1 0 296.342 2.859 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CC[C@H](C)O2)cccc1[N+](=O)[O-] ZINC000231884553 623373683 /nfs/dbraw/zinc/37/36/83/623373683.db2.gz BSIPOFOSTKRUOO-GXFFZTMASA-N 1 0 264.325 2.560 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000827287321 623982155 /nfs/dbraw/zinc/98/21/55/623982155.db2.gz IPDQBHVNCNGOSN-ZDUSSCGKSA-N 1 0 291.351 2.694 20 5 CFBDRO C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000090721329 624142461 /nfs/dbraw/zinc/14/24/61/624142461.db2.gz DFICFZBCWKSVLA-JQWIXIFHSA-N 1 0 297.786 2.821 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCSCC[NH+]2CCCC2)cc1 ZINC000918151038 624423168 /nfs/dbraw/zinc/42/31/68/624423168.db2.gz GHPXEQZIMZNHEK-UHFFFAOYSA-N 1 0 296.392 2.803 20 5 CFBDRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000921553493 625985647 /nfs/dbraw/zinc/98/56/47/625985647.db2.gz VBSACHUAZIDUBK-LLVKDONJSA-N 1 0 292.314 2.612 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000922560839 626308858 /nfs/dbraw/zinc/30/88/58/626308858.db2.gz WNXIAQKQPUVEJA-WFASDCNBSA-N 1 0 291.395 2.900 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922732114 626355327 /nfs/dbraw/zinc/35/53/27/626355327.db2.gz LSSFGSDEEAWDAO-VHSXEESVSA-N 1 0 274.242 2.883 20 5 CFBDRO Cc1c(C[NH2+]C[C@]2(C)CCCCO2)cccc1[N+](=O)[O-] ZINC000922819509 626373616 /nfs/dbraw/zinc/37/36/16/626373616.db2.gz XWFRESPRBKSHQD-HNNXBMFYSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000922842130 626378282 /nfs/dbraw/zinc/37/82/82/626378282.db2.gz HRGCORVWLZILDN-JQWIXIFHSA-N 1 0 266.366 2.969 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC000923026651 626443825 /nfs/dbraw/zinc/44/38/25/626443825.db2.gz BXIVBGRFPOXIEK-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1cccc(CN(CCC[NH2+]C2CC2)C2CC2)c1 ZINC000923370265 626468981 /nfs/dbraw/zinc/46/89/81/626468981.db2.gz UHLQHDRMWMWOGQ-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000839189335 626530439 /nfs/dbraw/zinc/53/04/39/626530439.db2.gz RFRZQGMTBLHGNT-KBPBESRZSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C2COC(C)(C)OC2)cc1[N+](=O)[O-] ZINC000757698866 626559047 /nfs/dbraw/zinc/55/90/47/626559047.db2.gz ULNYNEHVFRQFDV-NSHDSACASA-N 1 0 294.351 2.705 20 5 CFBDRO CC(C)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000760918876 626784256 /nfs/dbraw/zinc/78/42/56/626784256.db2.gz CBHBTDHEUAWVHA-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO CN(C)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761514693 626841529 /nfs/dbraw/zinc/84/15/29/626841529.db2.gz GMNYEVHGWUBHEQ-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526611 626843021 /nfs/dbraw/zinc/84/30/21/626843021.db2.gz PCDMNVNOBYYTKO-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000764628288 627078306 /nfs/dbraw/zinc/07/83/06/627078306.db2.gz LTCVMTPBSBUZHL-GFCCVEGCSA-N 1 0 289.379 2.952 20 5 CFBDRO CC[NH+](CC)CCCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000770944442 627562393 /nfs/dbraw/zinc/56/23/93/627562393.db2.gz LTANLCIIRVKIOF-UHFFFAOYSA-N 1 0 299.346 2.886 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771459422 627605619 /nfs/dbraw/zinc/60/56/19/627605619.db2.gz JYIMWWCIQBNBIR-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CCO)C1CC1)CCC2 ZINC000774252278 627908644 /nfs/dbraw/zinc/90/86/44/627908644.db2.gz KUQRSJDEGGJQLM-CVEARBPZSA-N 1 0 290.363 2.723 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000774903832 627978037 /nfs/dbraw/zinc/97/80/37/627978037.db2.gz NWDGUSNVLKTEQW-UHFFFAOYSA-N 1 0 279.296 2.877 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579691 628160152 /nfs/dbraw/zinc/16/01/52/628160152.db2.gz NYCVVALYKNKHKS-MEDUHNTESA-N 1 0 290.363 2.891 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579690 628160662 /nfs/dbraw/zinc/16/06/62/628160662.db2.gz NYCVVALYKNKHKS-BZNIZROVSA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000776582527 628161428 /nfs/dbraw/zinc/16/14/28/628161428.db2.gz VAPFYVIVXAZYCE-JKSUJKDBSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000776587104 628162455 /nfs/dbraw/zinc/16/24/55/628162455.db2.gz FCRMYSVARLLYHK-DAXOMENPSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC3(C2)CCCC3)cc1 ZINC000777659113 628244493 /nfs/dbraw/zinc/24/44/93/628244493.db2.gz IQXOMUQWFXVIFJ-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000780500789 628469453 /nfs/dbraw/zinc/46/94/53/628469453.db2.gz YELXRBJJTLCYRN-ZDUSSCGKSA-N 1 0 280.372 2.734 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981955 628594923 /nfs/dbraw/zinc/59/49/23/628594923.db2.gz LZMMMDPLUJRYOK-HOCLYGCPSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783648433 628730370 /nfs/dbraw/zinc/73/03/70/628730370.db2.gz JFFTYUKVSDUMLI-MWLCHTKSSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCOC1 ZINC000783656824 628731815 /nfs/dbraw/zinc/73/18/15/628731815.db2.gz ORNNKRFRQVQOAI-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000785730233 628908355 /nfs/dbraw/zinc/90/83/55/628908355.db2.gz MXZFTDBYAAHOLV-VXGBXAGGSA-N 1 0 292.335 2.511 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CC(C)C ZINC000786811968 628980401 /nfs/dbraw/zinc/98/04/01/628980401.db2.gz FPBOKONWRQVYOH-WDBUWWRISA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(C3CC3)CC2)cc1 ZINC000794893177 629700201 /nfs/dbraw/zinc/70/02/01/629700201.db2.gz DDGUIFDIAHZCRC-MRXNPFEDSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(C3CCCC3)C2)cc1 ZINC000795552764 629799665 /nfs/dbraw/zinc/79/96/65/629799665.db2.gz KFUHDDVEVDWBMF-INIZCTEOSA-N 1 0 290.363 2.750 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526829 630077424 /nfs/dbraw/zinc/07/74/24/630077424.db2.gz YMBDUPVMBUPQCF-IAQYHMDHSA-N 1 0 276.336 2.526 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965792 630266281 /nfs/dbraw/zinc/26/62/81/630266281.db2.gz ZOEKSIOUEHLXLD-CYBMUJFWSA-N 1 0 283.331 2.979 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800851064 630411170 /nfs/dbraw/zinc/41/11/70/630411170.db2.gz XBIZMOYWNQRBHW-TXEJJXNPSA-N 1 0 292.383 2.852 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804379376 630677623 /nfs/dbraw/zinc/67/76/23/630677623.db2.gz LLLVCIJIGJUGRV-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804451067 630682586 /nfs/dbraw/zinc/68/25/86/630682586.db2.gz WNSYKAZMQWSRHS-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)[NH+](C)C ZINC000807915774 630921738 /nfs/dbraw/zinc/92/17/38/630921738.db2.gz CNRSMRJSONNULQ-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840872239 631247345 /nfs/dbraw/zinc/24/73/45/631247345.db2.gz IOLJOHUNAGIQBP-LSCVPOLPSA-N 1 0 293.367 2.641 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056092 631323615 /nfs/dbraw/zinc/32/36/15/631323615.db2.gz XQMWLBMGOBTIBU-GHMZBOCLSA-N 1 0 283.759 2.608 20 5 CFBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635230 631688890 /nfs/dbraw/zinc/68/88/90/631688890.db2.gz LAQSRGGXLBWQQO-JSGCOSHPSA-N 1 0 292.383 2.897 20 5 CFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000843054139 631817909 /nfs/dbraw/zinc/81/79/09/631817909.db2.gz ZDSGJIZKGYSYEO-HZMBPMFUSA-N 1 0 297.786 2.807 20 5 CFBDRO CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000844405388 632197259 /nfs/dbraw/zinc/19/72/59/632197259.db2.gz XAXGZNIDXYZVPP-ZDUSSCGKSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588205 632293188 /nfs/dbraw/zinc/29/31/88/632293188.db2.gz GWGOZPXYRIYCCV-IJLUTSLNSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599041 632295790 /nfs/dbraw/zinc/29/57/90/632295790.db2.gz JHDJZOIYNUVQCI-ZJUUUORDSA-N 1 0 274.324 2.917 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601240 632296481 /nfs/dbraw/zinc/29/64/81/632296481.db2.gz QUEXWVWCYIGCDF-IFUGULHKSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625406 632300580 /nfs/dbraw/zinc/30/05/80/632300580.db2.gz CEXJUFVSVBTJOP-PTRXPTGYSA-N 1 0 281.381 2.579 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000816651827 632504985 /nfs/dbraw/zinc/50/49/85/632504985.db2.gz QXPFHFZHVVPVCD-ZDUSSCGKSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000817587403 632671405 /nfs/dbraw/zinc/67/14/05/632671405.db2.gz WFFHRXWJMQSNDK-WCFLWFBJSA-N 1 0 293.367 2.785 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000817587402 632671585 /nfs/dbraw/zinc/67/15/85/632671585.db2.gz WFFHRXWJMQSNDK-RAIGVLPGSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846703909 632778273 /nfs/dbraw/zinc/77/82/73/632778273.db2.gz RIFGUHWFARFYJH-KOLCDFICSA-N 1 0 283.759 2.560 20 5 CFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818431562 632843081 /nfs/dbraw/zinc/84/30/81/632843081.db2.gz PIQNISRHEUPAHF-VXGBXAGGSA-N 1 0 283.759 2.608 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OCCCCCCC[NH3+] ZINC000818618119 632881131 /nfs/dbraw/zinc/88/11/31/632881131.db2.gz LXZBZLHTQXVUER-UHFFFAOYSA-N 1 0 282.340 2.891 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000818617787 632881140 /nfs/dbraw/zinc/88/11/40/632881140.db2.gz JUHBUKHQQRITNW-XYPYZODXSA-N 1 0 282.315 2.878 20 5 CFBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819112223 632968802 /nfs/dbraw/zinc/96/88/02/632968802.db2.gz BRGAOPAQBJOOSK-IACUBPJLSA-N 1 0 296.392 2.502 20 5 CFBDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819123745 632975117 /nfs/dbraw/zinc/97/51/17/632975117.db2.gz BKDSLODPFBKCPD-BXUZGUMPSA-N 1 0 298.408 2.750 20 5 CFBDRO CCC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261885 633043101 /nfs/dbraw/zinc/04/31/01/633043101.db2.gz HOGNCXKWNWQSMF-CYBMUJFWSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000819281720 633052720 /nfs/dbraw/zinc/05/27/20/633052720.db2.gz WNANCZZNSBOTSD-BBWFWOEESA-N 1 0 298.342 2.774 20 5 CFBDRO Cc1csc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819346167 633097366 /nfs/dbraw/zinc/09/73/66/633097366.db2.gz DHKOMRJKMWIVEC-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000819360062 633108878 /nfs/dbraw/zinc/10/88/78/633108878.db2.gz ZBQWZQASXHCMOF-HOTGVXAUSA-N 1 0 290.363 2.797 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000857080969 635926309 /nfs/dbraw/zinc/92/63/09/635926309.db2.gz MDLVCHSZUMFRDX-PSASIEDQSA-N 1 0 285.294 2.873 20 5 CFBDRO C[N@H+](CC1CC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848474268 633263590 /nfs/dbraw/zinc/26/35/90/633263590.db2.gz CQQPQLJNDLHVRD-UHFFFAOYSA-N 1 0 286.335 2.758 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848524933 633276498 /nfs/dbraw/zinc/27/64/98/633276498.db2.gz IFRQWEFFZRRPNQ-RISCZKNCSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848526257 633277111 /nfs/dbraw/zinc/27/71/11/633277111.db2.gz VAYVUVOGQHOCSK-IAQYHMDHSA-N 1 0 298.346 2.593 20 5 CFBDRO C[C@H]1CCCN1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530852 633279097 /nfs/dbraw/zinc/27/90/97/633279097.db2.gz HLZSZWGITYFWFW-SWLSCSKDSA-N 1 0 289.379 2.656 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000848761140 633338090 /nfs/dbraw/zinc/33/80/90/633338090.db2.gz OIICTSSWNFVJCI-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850360325 633955298 /nfs/dbraw/zinc/95/52/98/633955298.db2.gz HJFXSPXCRFCVGN-UMSPYCQHSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367510 633957189 /nfs/dbraw/zinc/95/71/89/633957189.db2.gz LRKRQERTZGTQHK-BOTMBNHJSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C=CCC3)CC2)cc1 ZINC000850508886 634024295 /nfs/dbraw/zinc/02/42/95/634024295.db2.gz KYDWAFLRJWCNQB-ZDUSSCGKSA-N 1 0 287.363 2.872 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850535677 634041578 /nfs/dbraw/zinc/04/15/78/634041578.db2.gz ZFBISONQCZDLPP-NQBHXWOUSA-N 1 0 293.367 2.785 20 5 CFBDRO CCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853489811 635015901 /nfs/dbraw/zinc/01/59/01/635015901.db2.gz INBYCACNVDRIOZ-UHFFFAOYSA-N 1 0 289.339 2.543 20 5 CFBDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000858474687 636261512 /nfs/dbraw/zinc/26/15/12/636261512.db2.gz CQJIGADEEUEIJC-ZWNOBZJWSA-N 1 0 290.319 2.507 20 5 CFBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858529174 636283830 /nfs/dbraw/zinc/28/38/30/636283830.db2.gz PDNBCJMRFKTBOW-QSJCVTFJSA-N 1 0 293.367 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000860127950 636794250 /nfs/dbraw/zinc/79/42/50/636794250.db2.gz FSFHKPSZBDECQC-CUOATXAZSA-N 1 0 296.754 2.593 20 5 CFBDRO C[C@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC000159975460 650287138 /nfs/dbraw/zinc/28/71/38/650287138.db2.gz RJQRLHDIPGELKZ-RYUDHWBXSA-N 1 0 288.351 2.880 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865537171 638405507 /nfs/dbraw/zinc/40/55/07/638405507.db2.gz BCXFNWKFPSMIIB-SNVBAGLBSA-N 1 0 299.321 2.920 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC23CCOCC3)cs1 ZINC000865778249 638568344 /nfs/dbraw/zinc/56/83/44/638568344.db2.gz HVASKTGUTSIJID-LBPRGKRZSA-N 1 0 296.392 2.953 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccnc1 ZINC000866211670 638771160 /nfs/dbraw/zinc/77/11/60/638771160.db2.gz GNNVBDXCAMGPQT-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866240886 638778274 /nfs/dbraw/zinc/77/82/74/638778274.db2.gz PKOYQWHIHNEHGG-SMDDNHRTSA-N 1 0 298.358 2.662 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866268948 638785310 /nfs/dbraw/zinc/78/53/10/638785310.db2.gz LGBSTTJEFRGTIL-GWCFXTLKSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CCO ZINC000866275697 638787109 /nfs/dbraw/zinc/78/71/09/638787109.db2.gz DYVYVGSJLKZYEZ-LLVKDONJSA-N 1 0 298.358 2.663 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866300830 638791655 /nfs/dbraw/zinc/79/16/55/638791655.db2.gz FAEOVYURVJDDBS-BXUZGUMPSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC000866314708 638796079 /nfs/dbraw/zinc/79/60/79/638796079.db2.gz NZKJYRCVOFLGMM-RISCZKNCSA-N 1 0 296.342 2.824 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866360591 638803988 /nfs/dbraw/zinc/80/39/88/638803988.db2.gz FCBQXRPWZGWUOS-AXFHLTTASA-N 1 0 284.331 2.678 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H](C)CCO ZINC000866364850 638804877 /nfs/dbraw/zinc/80/48/77/638804877.db2.gz DFWNANNYORFVRP-NWDGAFQWSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C=CCC1 ZINC000866388783 638811872 /nfs/dbraw/zinc/81/18/72/638811872.db2.gz MTRJEDBGEHHYBW-GXFFZTMASA-N 1 0 264.300 2.973 20 5 CFBDRO COC(C)(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866505469 638831906 /nfs/dbraw/zinc/83/19/06/638831906.db2.gz MNTPOKUSYANLRU-CYBMUJFWSA-N 1 0 278.352 2.987 20 5 CFBDRO COCCC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866539274 638838882 /nfs/dbraw/zinc/83/88/82/638838882.db2.gz AUHYUVOIJKRQNC-LBPRGKRZSA-N 1 0 266.341 2.808 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000866540018 638838963 /nfs/dbraw/zinc/83/89/63/638838963.db2.gz JEUCAKLRVNZFPJ-OAHLLOKOSA-N 1 0 290.363 2.952 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000866613051 638854836 /nfs/dbraw/zinc/85/48/36/638854836.db2.gz DZAGUQGRCZPTGN-GXFFZTMASA-N 1 0 286.335 2.666 20 5 CFBDRO C[NH2+]C[C@H](C)c1noc(-c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000871784695 641455389 /nfs/dbraw/zinc/45/53/89/641455389.db2.gz HAZJTKSMTAAGEI-VIFPVBQESA-N 1 0 290.323 2.585 20 5 CFBDRO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027955 641557632 /nfs/dbraw/zinc/55/76/32/641557632.db2.gz GZZQALARGICEOE-WDEREUQCSA-N 1 0 283.347 2.725 20 5 CFBDRO C[C@H]([NH2+]CC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030414 641560051 /nfs/dbraw/zinc/56/00/51/641560051.db2.gz FDDLYVKULDFLMB-JTQLQIEISA-N 1 0 282.315 2.811 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000872030813 641560859 /nfs/dbraw/zinc/56/08/59/641560859.db2.gz CPBUTQHVRZUHGU-QWRGUYRKSA-N 1 0 295.408 2.671 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031065 641562471 /nfs/dbraw/zinc/56/24/71/641562471.db2.gz LUCNHYDHUKUKND-LLVKDONJSA-N 1 0 283.347 2.725 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033670 641564406 /nfs/dbraw/zinc/56/44/06/641564406.db2.gz DIOZDORZNGPQCE-HZMBPMFUSA-N 1 0 284.331 2.936 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872035793 641568258 /nfs/dbraw/zinc/56/82/58/641568258.db2.gz YZTALWIKQNDGTE-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000872035983 641568629 /nfs/dbraw/zinc/56/86/29/641568629.db2.gz RGGDQMHBRLZSAD-ZWNOBZJWSA-N 1 0 298.408 2.984 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037653 641571248 /nfs/dbraw/zinc/57/12/48/641571248.db2.gz HJURBKPODZJWHS-UWVGGRQHSA-N 1 0 270.304 2.810 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037465 641571287 /nfs/dbraw/zinc/57/12/87/641571287.db2.gz BVARWFSEGYSYTE-ZYHUDNBSSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040600 641574042 /nfs/dbraw/zinc/57/40/42/641574042.db2.gz ZINXDPPVTONVFA-DCAQKATOSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043053 641577771 /nfs/dbraw/zinc/57/77/71/641577771.db2.gz VNEDJLFDYGWBDM-IINYFYTJSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043358 641578004 /nfs/dbraw/zinc/57/80/04/641578004.db2.gz XBRCCDXQHWIKGL-SDDRHHMPSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046946 641581471 /nfs/dbraw/zinc/58/14/71/641581471.db2.gz AAJIUCMNSUYEAE-BDAKNGLRSA-N 1 0 270.329 2.890 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064295 641596587 /nfs/dbraw/zinc/59/65/87/641596587.db2.gz FJXYXZZPGHSILN-LPEHRKFASA-N 1 0 270.304 2.808 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000872086813 641619923 /nfs/dbraw/zinc/61/99/23/641619923.db2.gz ZRKLIINZDFEZFQ-VHSXEESVSA-N 1 0 282.315 2.546 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000872711827 641907971 /nfs/dbraw/zinc/90/79/71/641907971.db2.gz CXXMKAZRIOGXJG-BETUJISGSA-N 1 0 298.346 2.800 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000872779611 641933448 /nfs/dbraw/zinc/93/34/48/641933448.db2.gz HFSWPQNVKDPZEN-CABCVRRESA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccccn1 ZINC000873006286 641982805 /nfs/dbraw/zinc/98/28/05/641982805.db2.gz DITKJFAFHSBMLF-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)Cn1cccn1 ZINC000873012205 641984632 /nfs/dbraw/zinc/98/46/32/641984632.db2.gz DGEQTVXZWHWXKZ-GFCCVEGCSA-N 1 0 288.351 2.586 20 5 CFBDRO Cc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[nH]n1 ZINC000873056395 641997639 /nfs/dbraw/zinc/99/76/39/641997639.db2.gz DHJZAAOUPXKYBU-UHFFFAOYSA-N 1 0 274.324 2.533 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOC(C)C ZINC000873104262 642013969 /nfs/dbraw/zinc/01/39/69/642013969.db2.gz LEGYTDIGAXFIMH-UHFFFAOYSA-N 1 0 266.341 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(N(C)C)CCC1 ZINC000873111506 642014924 /nfs/dbraw/zinc/01/49/24/642014924.db2.gz BUIHNACVJSJEKM-UHFFFAOYSA-N 1 0 291.395 2.786 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000873111911 642015240 /nfs/dbraw/zinc/01/52/40/642015240.db2.gz JIAAUSYKPUEGFZ-CYBMUJFWSA-N 1 0 276.336 2.994 20 5 CFBDRO Cc1c(C[NH2+]C2(CF)CCOCC2)cccc1[N+](=O)[O-] ZINC000873130877 642021989 /nfs/dbraw/zinc/02/19/89/642021989.db2.gz IDXVOVPIBRSIAJ-UHFFFAOYSA-N 1 0 282.315 2.512 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873135312 642025461 /nfs/dbraw/zinc/02/54/61/642025461.db2.gz HRJFGLJKCJNFAV-JOCQHMNTSA-N 1 0 278.352 2.869 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cs1 ZINC000873154847 642036360 /nfs/dbraw/zinc/03/63/60/642036360.db2.gz BKYSPUVUJXODOS-WOPDTQHZSA-N 1 0 282.365 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000084440102 650774524 /nfs/dbraw/zinc/77/45/24/650774524.db2.gz PEEXFFGGYVTKCI-GFCCVEGCSA-N 1 0 295.770 2.575 20 5 CFBDRO CCC1(O)CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876763444 642999354 /nfs/dbraw/zinc/99/93/54/642999354.db2.gz GPYQJLBYVQJHSD-UHFFFAOYSA-N 1 0 292.379 2.949 20 5 CFBDRO C[C@@H]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964542 643085093 /nfs/dbraw/zinc/08/50/93/643085093.db2.gz ITKNMQMVOGVHDW-KBHBFKLGSA-N 1 0 292.383 2.911 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877027487 643109911 /nfs/dbraw/zinc/10/99/11/643109911.db2.gz OKOQWKRGTMTLOG-KETTVSFTSA-N 1 0 278.356 2.663 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000877031103 643111317 /nfs/dbraw/zinc/11/13/17/643111317.db2.gz MQBKCJFTOAVOFF-CYBMUJFWSA-N 1 0 292.335 2.626 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H](C)C1 ZINC000877049779 643120519 /nfs/dbraw/zinc/12/05/19/643120519.db2.gz WWRDRFDZPJMOFB-NWFMMLNOSA-N 1 0 292.383 2.909 20 5 CFBDRO CC1(C)CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877078033 643139063 /nfs/dbraw/zinc/13/90/63/643139063.db2.gz AFEUOKAATHTMIN-GCZXYKMCSA-N 1 0 278.356 2.663 20 5 CFBDRO CC(C)C(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877462300 643282787 /nfs/dbraw/zinc/28/27/87/643282787.db2.gz QSXVXKKJFOGDDK-UHFFFAOYSA-N 1 0 280.372 2.767 20 5 CFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877561775 643361693 /nfs/dbraw/zinc/36/16/93/643361693.db2.gz QPTSKFWKFQUMPG-DZGCQCFKSA-N 1 0 292.379 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000877630991 643415217 /nfs/dbraw/zinc/41/52/17/643415217.db2.gz MBULPJOUPBJDON-CZUORRHYSA-N 1 0 290.363 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1(CO)CCC1 ZINC000877641591 643425741 /nfs/dbraw/zinc/42/57/41/643425741.db2.gz AFONRJIHXXQMMN-UHFFFAOYSA-N 1 0 278.352 2.558 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000877701266 643464096 /nfs/dbraw/zinc/46/40/96/643464096.db2.gz OVEUKEJKIYOBPG-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000877739166 643504481 /nfs/dbraw/zinc/50/44/81/643504481.db2.gz RRKOYLYSMYNSAF-NEPJUHHUSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000090721323 650880631 /nfs/dbraw/zinc/88/06/31/650880631.db2.gz DFICFZBCWKSVLA-ZYHUDNBSSA-N 1 0 297.786 2.821 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000246911989 650888898 /nfs/dbraw/zinc/88/88/98/650888898.db2.gz NUKRYMJFYIYMQJ-MNOVXSKESA-N 1 0 274.324 2.632 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000878916477 644074083 /nfs/dbraw/zinc/07/40/83/644074083.db2.gz MASFTXXLWUADII-UKRRQHHQSA-N 1 0 292.379 2.886 20 5 CFBDRO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318286 644222955 /nfs/dbraw/zinc/22/29/55/644222955.db2.gz SKGWNGFQCKAUQH-DGCLKSJQSA-N 1 0 264.325 2.594 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879530656 644309140 /nfs/dbraw/zinc/30/91/40/644309140.db2.gz VUZIOXXBSDFDQP-LZWOXQAQSA-N 1 0 288.347 2.526 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000880185044 644568192 /nfs/dbraw/zinc/56/81/92/644568192.db2.gz CTVMXQMJFNNKAA-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880231308 644592219 /nfs/dbraw/zinc/59/22/19/644592219.db2.gz XXMRFQUUCLEUCX-NSHDSACASA-N 1 0 282.315 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC000880510286 644744789 /nfs/dbraw/zinc/74/47/89/644744789.db2.gz ZCTPEYVADTXSOT-CVEARBPZSA-N 1 0 290.363 2.829 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774310 650963168 /nfs/dbraw/zinc/96/31/68/650963168.db2.gz UCMRCGXHGZFAQV-SECBINFHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129043801 645003745 /nfs/dbraw/zinc/00/37/45/645003745.db2.gz OYFJOEREMURFAU-SNVBAGLBSA-N 1 0 297.330 2.793 20 5 CFBDRO CC[NH+](CC)CCNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000881732427 645117481 /nfs/dbraw/zinc/11/74/81/645117481.db2.gz HWAQYGUYTGXYIS-UHFFFAOYSA-N 1 0 279.340 2.551 20 5 CFBDRO CC(C)[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000881787340 645127855 /nfs/dbraw/zinc/12/78/55/645127855.db2.gz GTYZAEJQNASXGU-GFCCVEGCSA-N 1 0 296.346 2.661 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000129622074 645295060 /nfs/dbraw/zinc/29/50/60/645295060.db2.gz VONWIQLWMMTUGT-ZDUSSCGKSA-N 1 0 280.372 2.876 20 5 CFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC000882822260 645470824 /nfs/dbraw/zinc/47/08/24/645470824.db2.gz BAKAQSZUENSCPZ-CYBMUJFWSA-N 1 0 298.346 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252706577 651019879 /nfs/dbraw/zinc/01/98/79/651019879.db2.gz UOORMHXFWTXVBN-UMSPYCQHSA-N 1 0 284.743 2.641 20 5 CFBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130756210 645563703 /nfs/dbraw/zinc/56/37/03/645563703.db2.gz GDOLQHAEEVTEBM-RYUDHWBXSA-N 1 0 266.345 2.649 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)CCSC)cc1[N+](=O)[O-] ZINC000130777977 645568989 /nfs/dbraw/zinc/56/89/89/645568989.db2.gz HBPQFZKWYGRQNG-SNVBAGLBSA-N 1 0 284.381 2.835 20 5 CFBDRO C=C/C=C\CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883268407 645710699 /nfs/dbraw/zinc/71/06/99/645710699.db2.gz KHENETDTASBIRM-DOGVGXBMSA-N 1 0 261.325 2.960 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000253138411 651037671 /nfs/dbraw/zinc/03/76/71/651037671.db2.gz VGTOINZLMBCUDU-WHOFXGATSA-N 1 0 278.352 2.797 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000883314358 645733745 /nfs/dbraw/zinc/73/37/45/645733745.db2.gz CWLLTSZBIKAKSP-BETUJISGSA-N 1 0 278.352 2.726 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000883320500 645738478 /nfs/dbraw/zinc/73/84/78/645738478.db2.gz NFBMVYZPWRUEQI-NFAWXSAZSA-N 1 0 292.379 2.931 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883319920 645738539 /nfs/dbraw/zinc/73/85/39/645738539.db2.gz UUVUXXLCUPXOOL-PVXIVEMSSA-N 1 0 290.363 2.987 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000883353796 645757056 /nfs/dbraw/zinc/75/70/56/645757056.db2.gz DPTMYSOZGAEEBE-CHWSQXEVSA-N 1 0 277.368 2.648 20 5 CFBDRO CCN1CC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000883359438 645766497 /nfs/dbraw/zinc/76/64/97/645766497.db2.gz GTGMZZZXBFOTJM-OVHOFWQVSA-N 1 0 289.379 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000883392024 645791246 /nfs/dbraw/zinc/79/12/46/645791246.db2.gz YPLFPQSBVDEYAF-UHFFFAOYSA-N 1 0 276.336 2.644 20 5 CFBDRO CN(Cc1csc([N+](=O)[O-])c1)C1(C[NH3+])CCCCC1 ZINC000883453112 645840870 /nfs/dbraw/zinc/84/08/70/645840870.db2.gz DEVVKMUQBONYJW-UHFFFAOYSA-N 1 0 283.397 2.750 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000800153553 646158556 /nfs/dbraw/zinc/15/85/56/646158556.db2.gz QRRQFVVETWYHJK-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000885965534 646787065 /nfs/dbraw/zinc/78/70/65/646787065.db2.gz PBRAHKFZVKRJPN-UHFFFAOYSA-N 1 0 283.331 2.589 20 5 CFBDRO C[C@@H](O)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885987807 646797799 /nfs/dbraw/zinc/79/77/99/646797799.db2.gz BGNMKVBPQRMVBY-GFCCVEGCSA-N 1 0 293.367 2.505 20 5 CFBDRO CCCO[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886004260 646809334 /nfs/dbraw/zinc/80/93/34/646809334.db2.gz VYOTYXYWUFRWMC-AWEZNQCLSA-N 1 0 293.367 2.771 20 5 CFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886143248 646892901 /nfs/dbraw/zinc/89/29/01/646892901.db2.gz XRXYIZDBDGLTPI-KGLIPLIRSA-N 1 0 293.367 2.673 20 5 CFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200462 646917261 /nfs/dbraw/zinc/91/72/61/646917261.db2.gz MRCXQPSXZBKEJO-RYUDHWBXSA-N 1 0 281.381 2.754 20 5 CFBDRO Cc1ccccc1CC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886221251 646927924 /nfs/dbraw/zinc/92/79/24/646927924.db2.gz WEVMDKNBHXKLON-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229550 646930495 /nfs/dbraw/zinc/93/04/95/646930495.db2.gz RNZREMKCNLIIKU-OLZOCXBDSA-N 1 0 293.367 2.672 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000886290660 646956682 /nfs/dbraw/zinc/95/66/82/646956682.db2.gz KQAPSRNMINQFFK-CQSZACIVSA-N 1 0 276.336 2.644 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CCCO1 ZINC000886315655 646966817 /nfs/dbraw/zinc/96/68/17/646966817.db2.gz WHSQQVDDOZGAKI-JHAQOBCDSA-N 1 0 276.336 2.767 20 5 CFBDRO Cc1c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000219246096 646991254 /nfs/dbraw/zinc/99/12/54/646991254.db2.gz YRVZHIFNDYPEPR-ZBFHGGJFSA-N 1 0 289.379 2.620 20 5 CFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000886615865 647069196 /nfs/dbraw/zinc/06/91/96/647069196.db2.gz PPBMHHXMPORYDM-DRZSPHRISA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832498 647156986 /nfs/dbraw/zinc/15/69/86/647156986.db2.gz JGFSCRSZZFYTCZ-ZBFHGGJFSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886865518 647164253 /nfs/dbraw/zinc/16/42/53/647164253.db2.gz MVSPFKPICIPLEB-INIZCTEOSA-N 1 0 289.379 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCC2)c([N+](=O)[O-])c1 ZINC000887148561 647231461 /nfs/dbraw/zinc/23/14/61/647231461.db2.gz JMSMANRQOTZIOZ-UHFFFAOYSA-N 1 0 291.307 2.925 20 5 CFBDRO CSC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000925641251 648256722 /nfs/dbraw/zinc/25/67/22/648256722.db2.gz LNNSGPBJYVVPBW-UHFFFAOYSA-N 1 0 266.366 2.621 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927023514 648687223 /nfs/dbraw/zinc/68/72/23/648687223.db2.gz UIYKIDKDWAFGFR-WDEREUQCSA-N 1 0 284.331 2.936 20 5 CFBDRO CCCCOc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930208514 649207124 /nfs/dbraw/zinc/20/71/24/649207124.db2.gz RCKRJIWYHABODV-LBPRGKRZSA-N 1 0 296.367 2.801 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000930449843 649250120 /nfs/dbraw/zinc/25/01/20/649250120.db2.gz GLQSWSIIENYTPQ-RRFJBIMHSA-N 1 0 260.337 2.531 20 5 CFBDRO CC(C)([NH2+]Cc1ccc(N)nc1)c1ccccc1[N+](=O)[O-] ZINC000930555082 649272933 /nfs/dbraw/zinc/27/29/33/649272933.db2.gz SMZJRPMJRUZHSR-UHFFFAOYSA-N 1 0 286.335 2.597 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931042443 649369780 /nfs/dbraw/zinc/36/97/80/649369780.db2.gz LSWUTHFWPAVKOT-XEZPLFJOSA-N 1 0 291.395 2.989 20 5 CFBDRO CCn1cc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000932176801 649559166 /nfs/dbraw/zinc/55/91/66/649559166.db2.gz DCMSTRHYJIMRGC-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C)CC1 ZINC000932344935 649580954 /nfs/dbraw/zinc/58/09/54/649580954.db2.gz DNILZGRKXVWEKC-NWDGAFQWSA-N 1 0 264.325 2.767 20 5 CFBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932646173 649633955 /nfs/dbraw/zinc/63/39/55/649633955.db2.gz XFJNWSFRQFPUGY-NEPJUHHUSA-N 1 0 292.335 2.541 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000932976749 649665836 /nfs/dbraw/zinc/66/58/36/649665836.db2.gz GQTQMMHDTAODCX-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC23CCCC3)cs1 ZINC000934390937 649783259 /nfs/dbraw/zinc/78/32/59/649783259.db2.gz IIUYGLRXJCWAGM-LLVKDONJSA-N 1 0 282.365 2.848 20 5 CFBDRO CN(C)c1cc(Nc2ccc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC001210952861 770403934 /nfs/dbraw/zinc/40/39/34/770403934.db2.gz TWXDMVLLAPTBAK-UHFFFAOYSA-N 1 0 276.271 2.939 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000689768657 770483741 /nfs/dbraw/zinc/48/37/41/770483741.db2.gz TUIFEZHFFXUVNW-WCQYABFASA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000723990879 770735515 /nfs/dbraw/zinc/73/55/15/770735515.db2.gz VPTNVPTZXZXMMM-DZGCQCFKSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1cnc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1[N+](=O)[O-] ZINC001167624919 773196116 /nfs/dbraw/zinc/19/61/16/773196116.db2.gz IKQBIHOYGTUFMR-UHFFFAOYSA-N 1 0 292.383 2.783 20 5 CFBDRO C[N@@H+]1CCC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224331256 775159459 /nfs/dbraw/zinc/15/94/59/775159459.db2.gz NSPACVFPXOQHTB-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO C[N+](C)(C)CCCO[C@@H]1CCOc2ccccc21 ZINC001224624096 775230024 /nfs/dbraw/zinc/23/00/24/775230024.db2.gz USKIFCPDYUEYRB-OAHLLOKOSA-N 1 0 250.362 2.623 20 5 CFBDRO CCOc1ccc([C@@H](C)OCC[N+](C)(C)C)cc1 ZINC001224776203 775271193 /nfs/dbraw/zinc/27/11/93/775271193.db2.gz SRNRJHVUOWLGFG-CYBMUJFWSA-N 1 0 252.378 2.869 20 5 CFBDRO C[C@H](OC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224816801 775281218 /nfs/dbraw/zinc/28/12/18/775281218.db2.gz AOEKTXYHSKKBBY-FZMZJTMJSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OCCCCC(=O)OC(C)(C)C ZINC001224881203 775297520 /nfs/dbraw/zinc/29/75/20/775297520.db2.gz HQRBDFBVAMVMDE-CYBMUJFWSA-N 1 0 274.425 2.610 20 5 CFBDRO C[C@@H](COCc1ccccc1)CO[C@@H](C)C[N+](C)(C)C ZINC001225004348 775331910 /nfs/dbraw/zinc/33/19/10/775331910.db2.gz PQGKHRYPACODSL-HOTGVXAUSA-N 1 0 280.432 2.951 20 5 CFBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001217966048 775406988 /nfs/dbraw/zinc/40/69/88/775406988.db2.gz WLUZOSSOBOXKPW-KBUNVGBDSA-N 1 0 291.134 2.888 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cn1 ZINC001225327044 775412359 /nfs/dbraw/zinc/41/23/59/775412359.db2.gz AIAVBBAHEKEPHJ-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001225342195 775418940 /nfs/dbraw/zinc/41/89/40/775418940.db2.gz GGNNKYAHCNRLBV-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO Cc1cccc(O[C@@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001225630983 775532965 /nfs/dbraw/zinc/53/29/65/775532965.db2.gz BUQZBVVKXGCLTF-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(F)c1[N+](=O)[O-] ZINC001225671266 775550552 /nfs/dbraw/zinc/55/05/52/775550552.db2.gz JIGRRQLZMSVUMG-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C)ccc2[N+](=O)[O-])C1 ZINC001225683702 775556939 /nfs/dbraw/zinc/55/69/39/775556939.db2.gz VPCIDUZZPBWSDT-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001218386163 775614776 /nfs/dbraw/zinc/61/47/76/775614776.db2.gz UFUJROLZVCZXCB-XUOSJQGZSA-N 1 0 277.107 2.641 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225904923 775629848 /nfs/dbraw/zinc/62/98/48/775629848.db2.gz LAKDQRBKGPZSLW-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225916742 775633467 /nfs/dbraw/zinc/63/34/67/775633467.db2.gz UZPFJAAXZIIDBM-XYPYZODXSA-N 1 0 282.315 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218400715 775635376 /nfs/dbraw/zinc/63/53/76/775635376.db2.gz XTGBULDPULYDPP-GFCCVEGCSA-N 1 0 282.727 2.769 20 5 CFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001218481267 775682050 /nfs/dbraw/zinc/68/20/50/775682050.db2.gz JZHOXFYVHBCBRP-KCJUWKMLSA-N 1 0 270.716 2.625 20 5 CFBDRO CCC(=O)Nc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001226058746 775684326 /nfs/dbraw/zinc/68/43/26/775684326.db2.gz ANMQPSNMCDJBNT-LBPRGKRZSA-O 1 0 265.377 2.509 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226130933 775710066 /nfs/dbraw/zinc/71/00/66/775710066.db2.gz YHVFGPFVHARIAC-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO CC[NH+]1CCC(Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226129360 775710558 /nfs/dbraw/zinc/71/05/58/775710558.db2.gz CSNXYQFRTUOGKY-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])c(F)cc1F)C2 ZINC001226191479 775733101 /nfs/dbraw/zinc/73/31/01/775733101.db2.gz NLVJKNXENYIILG-MYJAWHEDSA-N 1 0 298.289 2.877 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])ccc1F)C2 ZINC001226265448 775761855 /nfs/dbraw/zinc/76/18/55/775761855.db2.gz HHDUVTDBJLSTAR-PEGIJTEDSA-N 1 0 280.299 2.738 20 5 CFBDRO CC(=O)c1ccc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226293016 775770162 /nfs/dbraw/zinc/77/01/62/775770162.db2.gz QUJBNFSFZNTCHR-ZDUSSCGKSA-N 1 0 292.335 2.659 20 5 CFBDRO C[NH+](C)C1CCC(Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226364547 775791139 /nfs/dbraw/zinc/79/11/39/775791139.db2.gz OAWRPMOMLWFGGI-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1)C2 ZINC001226766147 775954707 /nfs/dbraw/zinc/95/47/07/775954707.db2.gz ZTQIXKPQIAQGDG-YABSGUDNSA-N 1 0 262.309 2.599 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1N1CCCC1 ZINC001227200416 776134985 /nfs/dbraw/zinc/13/49/85/776134985.db2.gz USOBVOPOMQVSPX-AWEZNQCLSA-N 1 0 263.405 2.760 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227233713 776148563 /nfs/dbraw/zinc/14/85/63/776148563.db2.gz FLAJTGQSERSNLB-NSHDSACASA-N 1 0 291.307 2.598 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2[nH]1 ZINC001227262592 776162600 /nfs/dbraw/zinc/16/26/00/776162600.db2.gz TUKZETAIRKNKGB-VIFPVBQESA-N 1 0 268.768 2.690 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2c(cccc2F)s1 ZINC001227354586 776185107 /nfs/dbraw/zinc/18/51/07/776185107.db2.gz DHUXXCJWLYGXPZ-VIFPVBQESA-N 1 0 269.365 2.909 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228003369 776357181 /nfs/dbraw/zinc/35/71/81/776357181.db2.gz WNLMGWKLVFLUGT-VIFPVBQESA-N 1 0 270.716 2.721 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228056824 776379926 /nfs/dbraw/zinc/37/99/26/776379926.db2.gz HFBFGTRZFSZRIK-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001228214256 776423454 /nfs/dbraw/zinc/42/34/54/776423454.db2.gz HXHKDMBGSIIRQA-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO C[NH+]1CCC(Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228255555 776434116 /nfs/dbraw/zinc/43/41/16/776434116.db2.gz IKAYQVBSHKJVMB-UHFFFAOYSA-N 1 0 270.716 2.721 20 5 CFBDRO CC(=O)c1ccc(C)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228351969 776468781 /nfs/dbraw/zinc/46/87/81/776468781.db2.gz MAGALJQHVMYQDK-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC001228570395 776523838 /nfs/dbraw/zinc/52/38/38/776523838.db2.gz CQUMJADQUXEFIR-CYBMUJFWSA-N 1 0 264.325 2.685 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001228839014 776629153 /nfs/dbraw/zinc/62/91/53/776629153.db2.gz RRFKTOIFVFRFON-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228934841 776661318 /nfs/dbraw/zinc/66/13/18/776661318.db2.gz WBJDFSZHPRPJES-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cccc(C(C)=O)c1[N+](=O)[O-] ZINC001229132663 776728967 /nfs/dbraw/zinc/72/89/67/776728967.db2.gz VUVDMSJFKRDRKS-NSHDSACASA-N 1 0 294.351 2.907 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(O)c1Br ZINC001229141865 776732192 /nfs/dbraw/zinc/73/21/92/776732192.db2.gz NELDQAYOEKDZOY-SECBINFHSA-O 1 0 289.193 2.628 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccccc2n1C1CC1 ZINC001229167383 776739481 /nfs/dbraw/zinc/73/94/81/776739481.db2.gz PQGQTTHFHPGKJH-GFCCVEGCSA-N 1 0 274.388 2.845 20 5 CFBDRO CC[NH+]1CCC(Oc2c(C)cc(F)cc2[N+](=O)[O-])CC1 ZINC001229198759 776749213 /nfs/dbraw/zinc/74/92/13/776749213.db2.gz PZIISZIMRSFEIJ-UHFFFAOYSA-N 1 0 282.315 2.905 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC1CC[NH+](C)CC1 ZINC001229199166 776750057 /nfs/dbraw/zinc/75/00/57/776750057.db2.gz TZGJZJYEUBAKSP-UHFFFAOYSA-N 1 0 268.288 2.515 20 5 CFBDRO CC(C)c1cccc(O)c1O[C@@H](C)C[N+](C)(C)C ZINC001229711911 776877509 /nfs/dbraw/zinc/87/75/09/776877509.db2.gz YDYXOBCUWJJXJV-LBPRGKRZSA-O 1 0 252.378 2.989 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)CC2)cc1F ZINC001229894507 776912937 /nfs/dbraw/zinc/91/29/37/776912937.db2.gz JMJYBHUORGXELL-NSHDSACASA-N 1 0 282.315 2.905 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001229894887 776913005 /nfs/dbraw/zinc/91/30/05/776913005.db2.gz LTUJJDIZDJHJEO-JTQLQIEISA-N 1 0 268.288 2.515 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001229895705 776913042 /nfs/dbraw/zinc/91/30/42/776913042.db2.gz VIFUJBXQBWIJJK-NSHDSACASA-N 1 0 282.315 2.905 20 5 CFBDRO Cc1cc(O[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1Cl ZINC001229974269 776928609 /nfs/dbraw/zinc/92/86/09/776928609.db2.gz CZNVFJFLKDVZNV-VIFPVBQESA-N 1 0 272.732 2.886 20 5 CFBDRO COC(=O)c1c(C)cc(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001230307172 776976511 /nfs/dbraw/zinc/97/65/11/776976511.db2.gz AKOBJTOIJLENGV-ZDUSSCGKSA-N 1 0 280.388 2.564 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]ccc2c1F ZINC001230772578 777060661 /nfs/dbraw/zinc/06/06/61/777060661.db2.gz TUHKJQVYXSZBRE-SNVBAGLBSA-N 1 0 251.325 2.781 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2cnco2)cc1 ZINC001231051411 777126075 /nfs/dbraw/zinc/12/60/75/777126075.db2.gz OEYOPPGMDGTXHM-GFCCVEGCSA-N 1 0 261.345 2.815 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2c(F)cccc2c1 ZINC001231145459 777156513 /nfs/dbraw/zinc/15/65/13/777156513.db2.gz JAKBPSQGVAOACH-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225908162 777332665 /nfs/dbraw/zinc/33/26/65/777332665.db2.gz YKANCLGXKJPNPA-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1CCCC2=O ZINC001226040331 777393584 /nfs/dbraw/zinc/39/35/84/777393584.db2.gz BMGNKGGNFSVCGV-LBPRGKRZSA-N 1 0 262.373 2.679 20 5 CFBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])c(F)cc2Cl)CC1 ZINC001226197274 777476910 /nfs/dbraw/zinc/47/69/10/777476910.db2.gz ZGCQJEHQSNCXTD-UHFFFAOYSA-N 1 0 288.706 2.860 20 5 CFBDRO C[NH+](C)C1CN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219659 777479998 /nfs/dbraw/zinc/47/99/98/777479998.db2.gz YACVIBODVWPECS-UHFFFAOYSA-N 1 0 292.386 2.529 20 5 CFBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000721804636 777584975 /nfs/dbraw/zinc/58/49/75/777584975.db2.gz PODRNYNCYBFQEP-LLVKDONJSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018203 777997702 /nfs/dbraw/zinc/99/77/02/777997702.db2.gz XENXMHLKPBIVGB-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)cc(F)cc1[N+](=O)[O-])C2 ZINC001233695138 778042985 /nfs/dbraw/zinc/04/29/85/778042985.db2.gz JLRBAUOJENQIEK-URLYPYJESA-N 1 0 298.289 2.877 20 5 CFBDRO Cc1cc2c(cc1F)ncnc2O[C@@H](C)C[N+](C)(C)C ZINC001233849993 778095203 /nfs/dbraw/zinc/09/52/03/778095203.db2.gz IAFUCNKBMCMWRY-NSHDSACASA-N 1 0 278.351 2.551 20 5 CFBDRO Cc1cc(F)c(O[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001234056529 778155458 /nfs/dbraw/zinc/15/54/58/778155458.db2.gz KGICYWCWGJUWRZ-SNVBAGLBSA-N 1 0 268.288 2.515 20 5 CFBDRO CC1(Nc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC001168187751 778230992 /nfs/dbraw/zinc/23/09/92/778230992.db2.gz WDVQPQHVDAVCKI-UHFFFAOYSA-N 1 0 269.732 2.802 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1C(=O)c1ccccc1 ZINC001234662608 778282364 /nfs/dbraw/zinc/28/23/64/778282364.db2.gz HEVNSNOYDAHSTM-AWEZNQCLSA-N 1 0 299.394 2.786 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2c(c(Cl)c1)C(=O)CC2 ZINC001234846799 778307197 /nfs/dbraw/zinc/30/71/97/778307197.db2.gz SZNMUGCGPPMUPT-SNVBAGLBSA-N 1 0 282.791 2.942 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC001234851416 778310343 /nfs/dbraw/zinc/31/03/43/778310343.db2.gz JJPUPYVSANTUMR-STQMWFEESA-N 1 0 291.415 2.630 20 5 CFBDRO COc1c(C)ccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001234944959 778335463 /nfs/dbraw/zinc/33/54/63/778335463.db2.gz CQPIPIRZWRITJV-NSHDSACASA-N 1 0 256.341 2.616 20 5 CFBDRO C[C@H](OCCC[N+](C)(C)C)c1cc(Br)no1 ZINC001224621008 778603056 /nfs/dbraw/zinc/60/30/56/778603056.db2.gz HOUVNADJRBWIPH-VIFPVBQESA-N 1 0 292.197 2.611 20 5 CFBDRO C[N+](C)(C)CCO[C@@H]1CCc2c1cc(F)cc2F ZINC001224775961 778681348 /nfs/dbraw/zinc/68/13/48/778681348.db2.gz QFIXCHFBPFAGDJ-CQSZACIVSA-N 1 0 256.316 2.675 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCCNc2cc[nH+]cc2)cc1 ZINC001120860857 778996614 /nfs/dbraw/zinc/99/66/14/778996614.db2.gz ULCVNPALOMPGIT-UHFFFAOYSA-N 1 0 271.320 2.847 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764350 779083323 /nfs/dbraw/zinc/08/33/23/779083323.db2.gz CFNCHEYFANAJAZ-SECBINFHSA-N 1 0 286.278 2.735 20 5 CFBDRO Cc1c(O[C@H](C)C[N+](C)(C)C)[nH]c2ccccc2c1=O ZINC001234647809 779257575 /nfs/dbraw/zinc/25/75/75/779257575.db2.gz QXPGFXKDGKUBEV-LLVKDONJSA-O 1 0 275.372 2.722 20 5 CFBDRO CCc1cccc(OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001234645907 779257813 /nfs/dbraw/zinc/25/78/13/779257813.db2.gz ROUXHZWSWOSFDP-LBPRGKRZSA-N 1 0 252.378 2.731 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000699505323 779284106 /nfs/dbraw/zinc/28/41/06/779284106.db2.gz CPGCTIDDLWRSOR-BZPMIXESSA-N 1 0 278.352 2.979 20 5 CFBDRO CC(C)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000691360455 780353106 /nfs/dbraw/zinc/35/31/06/780353106.db2.gz RYTBNCFBHXDWJE-JTQLQIEISA-N 1 0 286.759 2.839 20 5 CFBDRO CC1(C)CC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000701968722 780858465 /nfs/dbraw/zinc/85/84/65/780858465.db2.gz FYNOYUYTZPAMMC-CQSZACIVSA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000703177922 780995606 /nfs/dbraw/zinc/99/56/06/780995606.db2.gz DWBKYSTYTLONHL-ZDUSSCGKSA-N 1 0 278.352 2.808 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000703578389 781034982 /nfs/dbraw/zinc/03/49/82/781034982.db2.gz KRUIPWILOGNIHC-NUYPLMSZSA-N 1 0 278.352 2.939 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710984588 781350713 /nfs/dbraw/zinc/35/07/13/781350713.db2.gz VEDGBHIACBUGOS-JTNHKYCSSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CF)C2)c(F)c1 ZINC000711475566 781442169 /nfs/dbraw/zinc/44/21/69/781442169.db2.gz JHCVIPMCCKETBJ-SECBINFHSA-N 1 0 256.252 2.525 20 5 CFBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC001118261199 781550128 /nfs/dbraw/zinc/55/01/28/781550128.db2.gz PMHLVEXHTBHKCE-AWEZNQCLSA-N 1 0 291.351 2.749 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000594516810 349438803 /nfs/dbraw/zinc/43/88/03/349438803.db2.gz FVZIVFQETFKXRK-IRXDYDNUSA-N 1 0 298.342 2.651 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000594595490 349455299 /nfs/dbraw/zinc/45/52/99/349455299.db2.gz ZHIJNFXRHBLGFM-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594597068 349456281 /nfs/dbraw/zinc/45/62/81/349456281.db2.gz CESJRXTZWVYGDW-QWHCGFSZSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1ccnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594604392 349460126 /nfs/dbraw/zinc/46/01/26/349460126.db2.gz YWDKTSXETDBCHB-OLZOCXBDSA-N 1 0 290.367 2.727 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594614383 349464135 /nfs/dbraw/zinc/46/41/35/349464135.db2.gz GKPVKXLNIGUZGG-RPHSKFLZSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124508850 187140910 /nfs/dbraw/zinc/14/09/10/187140910.db2.gz FBMGVGYJNMMMSJ-SMDDNHRTSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000594732736 349483250 /nfs/dbraw/zinc/48/32/50/349483250.db2.gz XJEGYCWCEMBQRK-RYUDHWBXSA-N 1 0 276.336 2.957 20 5 CFBDRO CC[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594931225 349515141 /nfs/dbraw/zinc/51/51/41/349515141.db2.gz LXJYVHMGHHUUAZ-QWHCGFSZSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594957504 349529475 /nfs/dbraw/zinc/52/94/75/349529475.db2.gz RUUKLJNAVOXWKP-CQSZACIVSA-N 1 0 278.352 2.890 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000594961069 349531471 /nfs/dbraw/zinc/53/14/71/349531471.db2.gz DTXYKAGEGBFBQB-GFCCVEGCSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1ccncc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000594965717 349533109 /nfs/dbraw/zinc/53/31/09/349533109.db2.gz CTIVMRMPXUQBOU-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000273075413 192037158 /nfs/dbraw/zinc/03/71/58/192037158.db2.gz PGCVRDPHQAPMMT-QWHCGFSZSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccncc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594968997 349534889 /nfs/dbraw/zinc/53/48/89/349534889.db2.gz UCJOGYUJGJIMTH-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000594977897 349537101 /nfs/dbraw/zinc/53/71/01/349537101.db2.gz BTAFIMXBZBZMIC-CQSZACIVSA-N 1 0 292.335 2.740 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1CCC(O)CC1 ZINC000594992854 349541416 /nfs/dbraw/zinc/54/14/16/349541416.db2.gz ZHBNPCUXHDFHQU-HYXAFXHYSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000594984874 349539287 /nfs/dbraw/zinc/53/92/87/349539287.db2.gz QGOCFBXAJKTZNE-OVHMKQCGSA-N 1 0 258.321 2.996 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008740 349546997 /nfs/dbraw/zinc/54/69/97/349546997.db2.gz QHJSJNHYAHPMJX-MNOVXSKESA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000595010833 349547922 /nfs/dbraw/zinc/54/79/22/349547922.db2.gz ZERAKPDZWUYZRF-DCAQKATOSA-N 1 0 264.325 2.910 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017857 349551304 /nfs/dbraw/zinc/55/13/04/349551304.db2.gz MEEMXKWFHDALQB-MISXGVKJSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCC1CC1 ZINC000595016612 349551341 /nfs/dbraw/zinc/55/13/41/349551341.db2.gz HVAXTAWZFLZLKJ-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000595020070 349552115 /nfs/dbraw/zinc/55/21/15/349552115.db2.gz SXBZKODHFPHZSW-ABAIWWIYSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000595022245 349553077 /nfs/dbraw/zinc/55/30/77/349553077.db2.gz SKYBOZICEXPHDN-XHDPSFHLSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000595026605 349555987 /nfs/dbraw/zinc/55/59/87/349555987.db2.gz MVLMJQFLABFIIS-VXGBXAGGSA-N 1 0 294.351 2.823 20 5 CFBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594997117 349542694 /nfs/dbraw/zinc/54/26/94/349542694.db2.gz XWQPDVAEKMVSQZ-NSHDSACASA-N 1 0 282.315 2.639 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1=CCOCC1 ZINC000595043323 349561656 /nfs/dbraw/zinc/56/16/56/349561656.db2.gz WGJYFFMBJZDBHZ-NSHDSACASA-N 1 0 292.335 2.601 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC12CC2 ZINC000595046173 349562658 /nfs/dbraw/zinc/56/26/58/349562658.db2.gz YGUPTOKNYDISQB-NOZJJQNGSA-N 1 0 262.309 2.807 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000595046179 349562900 /nfs/dbraw/zinc/56/29/00/349562900.db2.gz YGUPTOKNYDISQB-ZANVPECISA-N 1 0 262.309 2.807 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000595048773 349563765 /nfs/dbraw/zinc/56/37/65/349563765.db2.gz NCMLTOHKFGJQSG-ZWNOBZJWSA-N 1 0 276.336 2.739 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000595048857 349563776 /nfs/dbraw/zinc/56/37/76/349563776.db2.gz BXHRMGIWHIVWRB-YGRLFVJLSA-N 1 0 294.351 2.679 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000595092782 349579346 /nfs/dbraw/zinc/57/93/46/349579346.db2.gz WNXWBQGAYBQURA-TZMCWYRMSA-N 1 0 292.379 2.962 20 5 CFBDRO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125312971 187178700 /nfs/dbraw/zinc/17/87/00/187178700.db2.gz QQFOFQPWNLPXBF-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595070583 349573790 /nfs/dbraw/zinc/57/37/90/349573790.db2.gz WBPZQZOOEJJNIQ-NQBHXWOUSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595317845 349601197 /nfs/dbraw/zinc/60/11/97/349601197.db2.gz FQLTYCSWWXYQTJ-LLVKDONJSA-N 1 0 267.329 2.902 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595341273 349605057 /nfs/dbraw/zinc/60/50/57/349605057.db2.gz GHQQBMIZMPHBMI-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595420375 349619749 /nfs/dbraw/zinc/61/97/49/349619749.db2.gz CKBCZLSTOMTUKV-ZDUSSCGKSA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000595425144 349621882 /nfs/dbraw/zinc/62/18/82/349621882.db2.gz JZNOHHVNBADSRD-LSDHHAIUSA-N 1 0 294.326 2.781 20 5 CFBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595438785 349625632 /nfs/dbraw/zinc/62/56/32/349625632.db2.gz BIYQNFGSDGEBEV-WDEREUQCSA-N 1 0 267.329 2.950 20 5 CFBDRO COCC[C@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595442445 349627880 /nfs/dbraw/zinc/62/78/80/349627880.db2.gz RODNQHXNOFVUDX-GFCCVEGCSA-N 1 0 297.355 2.530 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000595475610 349637614 /nfs/dbraw/zinc/63/76/14/349637614.db2.gz MBZZMAMWTHEVCV-CQSZACIVSA-N 1 0 296.342 2.861 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595502578 349643146 /nfs/dbraw/zinc/64/31/46/349643146.db2.gz ZUBLZKUCHJOYJG-HNNXBMFYSA-N 1 0 295.358 2.506 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000595534079 349652876 /nfs/dbraw/zinc/65/28/76/349652876.db2.gz BOMFUMKIMXHPEJ-ZDUSSCGKSA-N 1 0 277.368 2.511 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000421370684 529447182 /nfs/dbraw/zinc/44/71/82/529447182.db2.gz CFDLQZPILGQXEF-UKRRQHHQSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459637372 534927923 /nfs/dbraw/zinc/92/79/23/534927923.db2.gz SLCSEPLJCZTWLQ-XBXGTLAGSA-N 1 0 264.325 2.640 20 5 CFBDRO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704819 349711433 /nfs/dbraw/zinc/71/14/33/349711433.db2.gz WAEWALDVOFULDK-XJKSGUPXSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595756940 349725359 /nfs/dbraw/zinc/72/53/59/349725359.db2.gz HUWJVQHHSYIPIT-OSAQELSMSA-N 1 0 276.336 2.624 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000595766612 349728537 /nfs/dbraw/zinc/72/85/37/349728537.db2.gz XGEAEHBKJFIKMF-ZDUSSCGKSA-N 1 0 294.351 2.760 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595876264 349759710 /nfs/dbraw/zinc/75/97/10/349759710.db2.gz RHPBLEWXZYNQII-LALPHHSUSA-N 1 0 278.352 2.606 20 5 CFBDRO C[N@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595889205 349761514 /nfs/dbraw/zinc/76/15/14/349761514.db2.gz ROGATJQUBJQIMZ-UHFFFAOYSA-N 1 0 264.350 2.700 20 5 CFBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595903764 349765347 /nfs/dbraw/zinc/76/53/47/349765347.db2.gz FGQLSGGHVPISQO-HNNXBMFYSA-N 1 0 297.358 2.875 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595868321 349757439 /nfs/dbraw/zinc/75/74/39/349757439.db2.gz AVVLSAJVEJVFEX-JMSVASOKSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1cc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000596063818 349785753 /nfs/dbraw/zinc/78/57/53/349785753.db2.gz YHOVCFHHIUSTHC-UHFFFAOYSA-N 1 0 269.370 2.863 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596098257 349794743 /nfs/dbraw/zinc/79/47/43/349794743.db2.gz JSTLQKDVQVIGQP-LLVKDONJSA-N 1 0 283.397 2.932 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000126503041 187243643 /nfs/dbraw/zinc/24/36/43/187243643.db2.gz SSJBJHCFKMQJNO-ZDUSSCGKSA-N 1 0 266.366 2.970 20 5 CFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697718 346936323 /nfs/dbraw/zinc/93/63/23/346936323.db2.gz AFWKYNZOQIKRMK-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1cc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596168872 349815580 /nfs/dbraw/zinc/81/55/80/349815580.db2.gz YYDAEYHURXHBPZ-UHFFFAOYSA-N 1 0 281.381 2.686 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000596268848 349847915 /nfs/dbraw/zinc/84/79/15/349847915.db2.gz LGMZYPWIYTXFAY-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000596307376 349857792 /nfs/dbraw/zinc/85/77/92/349857792.db2.gz LNISFADRROTOMZ-SECBINFHSA-N 1 0 298.774 2.928 20 5 CFBDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000127120846 187284575 /nfs/dbraw/zinc/28/45/75/187284575.db2.gz MQJQDIOMRBCKGJ-LBPRGKRZSA-N 1 0 274.324 2.532 20 5 CFBDRO C[C@@H](CCNc1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000596432570 349901320 /nfs/dbraw/zinc/90/13/20/349901320.db2.gz QTJAWMMWHQGHFT-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740674 347029678 /nfs/dbraw/zinc/02/96/78/347029678.db2.gz PDOJWFNMXPLAGO-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO C[NH2+]CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414858614 529970898 /nfs/dbraw/zinc/97/08/98/529970898.db2.gz KGTCNTXOWIHQNI-UHFFFAOYSA-N 1 0 289.335 2.554 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000596488240 349917104 /nfs/dbraw/zinc/91/71/04/349917104.db2.gz PBQGQAHHMQSCOB-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1ccnc(N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596489961 349917946 /nfs/dbraw/zinc/91/79/46/349917946.db2.gz YGYYGRCRMACBGG-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000295089340 199340351 /nfs/dbraw/zinc/34/03/51/199340351.db2.gz FDWJLYSLBSUBJN-NSHDSACASA-N 1 0 296.367 2.585 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280932 232194289 /nfs/dbraw/zinc/19/42/89/232194289.db2.gz PHCZVPLFRPVCGW-LLVKDONJSA-N 1 0 297.786 2.632 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000128260111 187359832 /nfs/dbraw/zinc/35/98/32/187359832.db2.gz SKNOIDOAGOUNNA-KBPBESRZSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCCCC1 ZINC000026155608 346264296 /nfs/dbraw/zinc/26/42/96/346264296.db2.gz QSKNVFSUSMSYBU-UHFFFAOYSA-N 1 0 291.351 2.718 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037916593 346335779 /nfs/dbraw/zinc/33/57/79/346335779.db2.gz QXCZAUBYTDIWJD-STQMWFEESA-N 1 0 295.408 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2)cc1 ZINC000038079327 346336607 /nfs/dbraw/zinc/33/66/07/346336607.db2.gz YYNSGQXTNKJEIE-UHFFFAOYSA-N 1 0 272.304 2.763 20 5 CFBDRO CCCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000046602777 346430482 /nfs/dbraw/zinc/43/04/82/346430482.db2.gz SAYKKCUEVSHZCZ-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO CCCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000046502205 346428638 /nfs/dbraw/zinc/42/86/38/346428638.db2.gz NMDHUPLLTUGOJX-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO CC[C@@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648626 349967926 /nfs/dbraw/zinc/96/79/26/349967926.db2.gz SYTQLUILUWZJKQ-CQSZACIVSA-N 1 0 277.368 2.907 20 5 CFBDRO CC[C@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648625 349967948 /nfs/dbraw/zinc/96/79/48/349967948.db2.gz SYTQLUILUWZJKQ-AWEZNQCLSA-N 1 0 277.368 2.907 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051228271 346501597 /nfs/dbraw/zinc/50/15/97/346501597.db2.gz YQEJHHQQTRHYHZ-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@@H]21 ZINC000085636491 179109084 /nfs/dbraw/zinc/10/90/84/179109084.db2.gz KWOKUGMEWMGSFB-KFWWJZLASA-N 1 0 290.363 2.540 20 5 CFBDRO COC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053906946 346553848 /nfs/dbraw/zinc/55/38/48/346553848.db2.gz ZPOFBDRHDJFZCF-LLVKDONJSA-N 1 0 264.325 2.767 20 5 CFBDRO CCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060484601 346666924 /nfs/dbraw/zinc/66/69/24/346666924.db2.gz IQFDJGLGYRYFEZ-UHFFFAOYSA-N 1 0 278.352 2.638 20 5 CFBDRO CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060484621 346666998 /nfs/dbraw/zinc/66/69/98/346666998.db2.gz CCWYBDFYBQHIBS-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)C ZINC000065962723 346745435 /nfs/dbraw/zinc/74/54/35/346745435.db2.gz LHSJBGZQHBCLGB-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000076581369 347144855 /nfs/dbraw/zinc/14/48/55/347144855.db2.gz ZZDAMFHGTHLSEM-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000076751506 347151363 /nfs/dbraw/zinc/15/13/63/347151363.db2.gz JLDKSDQZSWPPNC-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000076800464 347155140 /nfs/dbraw/zinc/15/51/40/347155140.db2.gz FXUYLHJNESVCFW-BETUJISGSA-N 1 0 292.383 2.770 20 5 CFBDRO CC(C)[N@H+](C)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000076871931 347158112 /nfs/dbraw/zinc/15/81/12/347158112.db2.gz MPLOQXKAKNLLSG-UHFFFAOYSA-N 1 0 292.383 2.546 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000078526988 347259832 /nfs/dbraw/zinc/25/98/32/347259832.db2.gz IIJOEZCVZJFWRL-CQSZACIVSA-N 1 0 290.367 2.666 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000078576599 347262847 /nfs/dbraw/zinc/26/28/47/347262847.db2.gz CCWLSNBRVBQPMD-CQSZACIVSA-N 1 0 263.341 2.515 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000078662178 347268386 /nfs/dbraw/zinc/26/83/86/347268386.db2.gz JNQDHZMHCMSERW-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000080601640 347368711 /nfs/dbraw/zinc/36/87/11/347368711.db2.gz BUSDIIYSUJQBDJ-GFCCVEGCSA-N 1 0 295.383 2.883 20 5 CFBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000080597623 347368914 /nfs/dbraw/zinc/36/89/14/347368914.db2.gz YQKYUUVBZXYKII-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC23CCC3)c1 ZINC000081545553 347425120 /nfs/dbraw/zinc/42/51/20/347425120.db2.gz IVNXWEDTJXFANA-UHFFFAOYSA-N 1 0 262.309 2.602 20 5 CFBDRO CC1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000087045555 347490571 /nfs/dbraw/zinc/49/05/71/347490571.db2.gz PBESGJIBCAOCHC-UHFFFAOYSA-N 1 0 278.352 2.626 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000091453360 347586761 /nfs/dbraw/zinc/58/67/61/347586761.db2.gz LHXZAGRWDWHKRH-OAHLLOKOSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cc1C ZINC000092658310 347637660 /nfs/dbraw/zinc/63/76/60/347637660.db2.gz VZVBNVNRWRUCLV-UHFFFAOYSA-N 1 0 269.370 2.732 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093482469 347676063 /nfs/dbraw/zinc/67/60/63/347676063.db2.gz SUDPMHIEEOMRRU-TZMCWYRMSA-N 1 0 278.352 2.639 20 5 CFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000114196917 347770586 /nfs/dbraw/zinc/77/05/86/347770586.db2.gz GYKIDYJDJFXYAX-SNVBAGLBSA-N 1 0 279.340 2.558 20 5 CFBDRO CC[C@@H](COC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000120200953 347805902 /nfs/dbraw/zinc/80/59/02/347805902.db2.gz ZZSBWEKFWNKZPN-CFNZNRNTSA-N 1 0 264.325 2.623 20 5 CFBDRO CC(C)OCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000120542569 347807270 /nfs/dbraw/zinc/80/72/70/347807270.db2.gz PKQXHFGOPDBKRC-CYBMUJFWSA-N 1 0 280.368 2.931 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCCS1 ZINC000122173381 347814587 /nfs/dbraw/zinc/81/45/87/347814587.db2.gz GOZGYWSYFPJKKW-AWEZNQCLSA-N 1 0 296.392 2.979 20 5 CFBDRO CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122318049 347815482 /nfs/dbraw/zinc/81/54/82/347815482.db2.gz NYTGZHXDQPRIBR-ZOWXZIJZSA-N 1 0 277.368 2.715 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000125604088 347828385 /nfs/dbraw/zinc/82/83/85/347828385.db2.gz GJPCOLLWZNRDOD-NSHDSACASA-N 1 0 264.325 2.704 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCF)C1CC1 ZINC000126852487 347837733 /nfs/dbraw/zinc/83/77/33/347837733.db2.gz AVBYRDNEYZQDSV-CYBMUJFWSA-N 1 0 266.316 2.865 20 5 CFBDRO C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130196238 347868733 /nfs/dbraw/zinc/86/87/33/347868733.db2.gz LSEDDCAWAFZXTK-GZBFAFLISA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000140426180 347925395 /nfs/dbraw/zinc/92/53/95/347925395.db2.gz UZGWLSGDPCQOPP-CYBMUJFWSA-N 1 0 291.351 2.654 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000146873883 347946360 /nfs/dbraw/zinc/94/63/60/347946360.db2.gz LPABUSCCHAZYKO-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157738279 348002150 /nfs/dbraw/zinc/00/21/50/348002150.db2.gz XEKUSXXUBCVJKW-WDEREUQCSA-N 1 0 291.351 2.700 20 5 CFBDRO CSCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154776220 347983022 /nfs/dbraw/zinc/98/30/22/347983022.db2.gz VIRUYVCUNDQBLL-JTQLQIEISA-N 1 0 254.355 2.917 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000164566671 348037297 /nfs/dbraw/zinc/03/72/97/348037297.db2.gz FKBKDPCSOKYJIO-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000172409007 348093477 /nfs/dbraw/zinc/09/34/77/348093477.db2.gz WWAHPXTYBGJGJD-SECBINFHSA-N 1 0 284.747 2.539 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000215987403 348162840 /nfs/dbraw/zinc/16/28/40/348162840.db2.gz VLWUIMUGGNAUFN-GFCCVEGCSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000227646276 348189156 /nfs/dbraw/zinc/18/91/56/348189156.db2.gz XXPXLKROVPATGH-BZUNDVKYSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCSCC2)cc1 ZINC000229257096 348200209 /nfs/dbraw/zinc/20/02/09/348200209.db2.gz XCRILYBELXWSEX-UHFFFAOYSA-N 1 0 280.393 2.870 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883653 348209030 /nfs/dbraw/zinc/20/90/30/348209030.db2.gz GORWNTTWYFPJDV-CABZTGNLSA-N 1 0 266.366 2.887 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087013933 179379624 /nfs/dbraw/zinc/37/96/24/179379624.db2.gz PRHQPRAVDMPZEA-NSHDSACASA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000251290007 348291682 /nfs/dbraw/zinc/29/16/82/348291682.db2.gz VERUWCKBIPPBTB-SLEUVZQESA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251921206 348294674 /nfs/dbraw/zinc/29/46/74/348294674.db2.gz YMLFGDUWMAFTGB-GXFFZTMASA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417689 348295918 /nfs/dbraw/zinc/29/59/18/348295918.db2.gz SZQWYBAPAKOQDW-GDBMZVCRSA-N 1 0 289.379 2.559 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000300605736 348369585 /nfs/dbraw/zinc/36/95/85/348369585.db2.gz MVFIRONDQYCRHG-SRVKXCTJSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293206732 348361990 /nfs/dbraw/zinc/36/19/90/348361990.db2.gz RAMXAAWSNNJLFS-CHWSQXEVSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309842289 348408211 /nfs/dbraw/zinc/40/82/11/348408211.db2.gz QJGAOJRUAHHQED-APPZFPTMSA-N 1 0 258.368 2.640 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311515225 348412831 /nfs/dbraw/zinc/41/28/31/348412831.db2.gz CZUFQQNRFDJYQS-UHFFFAOYSA-N 1 0 286.763 2.785 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413044830 233010577 /nfs/dbraw/zinc/01/05/77/233010577.db2.gz XNAKPNYTFDMPIW-NSHDSACASA-N 1 0 296.346 2.805 20 5 CFBDRO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000413058611 233012949 /nfs/dbraw/zinc/01/29/49/233012949.db2.gz ZZNMTJABWISLSV-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000413068990 233014330 /nfs/dbraw/zinc/01/43/30/233014330.db2.gz HBHGVRLDAFBAIJ-LBPRGKRZSA-N 1 0 298.346 2.792 20 5 CFBDRO C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404518714 348592389 /nfs/dbraw/zinc/59/23/89/348592389.db2.gz USPFNCWIWWCRFK-CMPLNLGQSA-N 1 0 283.397 2.606 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000400595080 348574226 /nfs/dbraw/zinc/57/42/26/348574226.db2.gz ZLXSJQKQDHXKQA-CQSZACIVSA-N 1 0 278.352 2.544 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000589608867 348842999 /nfs/dbraw/zinc/84/29/99/348842999.db2.gz DGHXSLSVRGMONO-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CCC2)C1 ZINC000589877301 348862683 /nfs/dbraw/zinc/86/26/83/348862683.db2.gz HJEWMRLXTYEMRY-NSHDSACASA-N 1 0 295.408 2.967 20 5 CFBDRO O=C1CCC(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000590709262 348932288 /nfs/dbraw/zinc/93/22/88/348932288.db2.gz CMJVPDHMOPWZBY-UHFFFAOYSA-N 1 0 288.347 2.712 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000590970293 348974817 /nfs/dbraw/zinc/97/48/17/348974817.db2.gz IBIHHTLPXZSPFU-HUUCEWRRSA-N 1 0 288.347 2.596 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2sccc2[N+](=O)[O-])C1 ZINC000591179122 348997039 /nfs/dbraw/zinc/99/70/39/348997039.db2.gz RHOGJSSACWHTMH-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363847 349109664 /nfs/dbraw/zinc/10/96/64/349109664.db2.gz KBPMDVGZQRLKKE-GXTWGEPZSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000592374948 349111267 /nfs/dbraw/zinc/11/12/67/349111267.db2.gz MZUMPJRCHXXXKM-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000592375579 349111931 /nfs/dbraw/zinc/11/19/31/349111931.db2.gz UJBAMVISOFFPQE-MWLCHTKSSA-N 1 0 272.370 2.543 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCS[C@H]1C ZINC000592380760 349113880 /nfs/dbraw/zinc/11/38/80/349113880.db2.gz QLDOPYNXTDGYHX-GWCFXTLKSA-N 1 0 296.392 2.977 20 5 CFBDRO Cc1ccc(CN(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424275 349118461 /nfs/dbraw/zinc/11/84/61/349118461.db2.gz AVBKFHUWYKXKGU-UHFFFAOYSA-N 1 0 289.379 2.620 20 5 CFBDRO CC(C)[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592485024 349127074 /nfs/dbraw/zinc/12/70/74/349127074.db2.gz NWKCBGZBPWAUGC-SWLSCSKDSA-N 1 0 277.368 2.586 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592485006 349127516 /nfs/dbraw/zinc/12/75/16/349127516.db2.gz MXNYFBQIHFZXRW-XJKSGUPXSA-N 1 0 291.395 2.894 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414204952 233196376 /nfs/dbraw/zinc/19/63/76/233196376.db2.gz OSQVVESULWGAOL-NEPJUHHUSA-N 1 0 266.341 2.918 20 5 CFBDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000593021997 349188858 /nfs/dbraw/zinc/18/88/58/349188858.db2.gz SFQZVPIOIXPTCJ-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC12CCCC2 ZINC000593038275 349191165 /nfs/dbraw/zinc/19/11/65/349191165.db2.gz GESSDYYAVBLUDS-UHFFFAOYSA-N 1 0 276.336 2.992 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000593050138 349194376 /nfs/dbraw/zinc/19/43/76/349194376.db2.gz CANLPBHILKMCGW-GXFFZTMASA-N 1 0 284.331 2.621 20 5 CFBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593063850 349199578 /nfs/dbraw/zinc/19/95/78/349199578.db2.gz PLKWTEWSTYPDEK-DOMZBBRYSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593459289 349274850 /nfs/dbraw/zinc/27/48/50/349274850.db2.gz YUQFURRZSADAIL-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000593676880 349308716 /nfs/dbraw/zinc/30/87/16/349308716.db2.gz OJMZJXNFPLDDOU-CYBMUJFWSA-N 1 0 292.379 2.744 20 5 CFBDRO C[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000594066299 349367672 /nfs/dbraw/zinc/36/76/72/349367672.db2.gz VCSDOPNDARQLBP-SECBINFHSA-N 1 0 284.743 2.593 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCC1CC1 ZINC000594494422 349428950 /nfs/dbraw/zinc/42/89/50/349428950.db2.gz FWIXLFOPETWZSD-CQSZACIVSA-N 1 0 276.336 2.598 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000594494996 349429171 /nfs/dbraw/zinc/42/91/71/349429171.db2.gz MTDSXBKSTJBBFJ-JQWIXIFHSA-N 1 0 296.392 2.977 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)CC2CN(C)C2)cc1[N+](=O)[O-] ZINC000597203404 350054209 /nfs/dbraw/zinc/05/42/09/350054209.db2.gz POJNHKYXBNRMIF-UHFFFAOYSA-N 1 0 291.395 2.712 20 5 CFBDRO C[C@]12COC[C@@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597209845 350057165 /nfs/dbraw/zinc/05/71/65/350057165.db2.gz DLICWMRBCKYKKC-ARTVWEGUSA-N 1 0 288.347 2.576 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597235097 350066911 /nfs/dbraw/zinc/06/69/11/350066911.db2.gz UIOWDSWGJZMVMP-LLVKDONJSA-N 1 0 278.352 2.721 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414517844 233279121 /nfs/dbraw/zinc/27/91/21/233279121.db2.gz RKWBOXVAXRFFPA-SCRDCRAPSA-N 1 0 278.352 2.806 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000104687539 186014084 /nfs/dbraw/zinc/01/40/84/186014084.db2.gz WQXOINOZJGKHGU-JTQLQIEISA-N 1 0 252.314 2.834 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[NH3+])C1CCCCC1 ZINC000414833508 233371910 /nfs/dbraw/zinc/37/19/10/233371910.db2.gz FVPRUUYJKDQVRK-MRXNPFEDSA-N 1 0 291.395 2.900 20 5 CFBDRO COc1ccc(C[NH2+]CC2CC(C)C2)cc1[N+](=O)[O-] ZINC000598648993 350302427 /nfs/dbraw/zinc/30/24/27/350302427.db2.gz UECJZNUZAMFSAP-UHFFFAOYSA-N 1 0 264.325 2.739 20 5 CFBDRO CC1CC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598678953 350309179 /nfs/dbraw/zinc/30/91/79/350309179.db2.gz BDGRUUQODNSFEN-HOAMVYINSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598683333 350309904 /nfs/dbraw/zinc/30/99/04/350309904.db2.gz RRMMKNZMMYWBRP-HEHGZKQESA-N 1 0 289.379 2.777 20 5 CFBDRO Cc1cc(N2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])s1 ZINC000598943590 350347775 /nfs/dbraw/zinc/34/77/75/350347775.db2.gz SWBGNYZHBAQPKA-UHFFFAOYSA-N 1 0 290.348 2.505 20 5 CFBDRO Cc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598988992 350354828 /nfs/dbraw/zinc/35/48/28/350354828.db2.gz WJGBYRPSBNGODH-SWLSCSKDSA-N 1 0 276.336 2.560 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3COC3)o2)c1 ZINC000599010536 350358223 /nfs/dbraw/zinc/35/82/23/350358223.db2.gz AMWIPMHORGFVEM-UHFFFAOYSA-N 1 0 288.303 2.591 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599026231 350360919 /nfs/dbraw/zinc/36/09/19/350360919.db2.gz DJWFTNSARXUFFY-LBPRGKRZSA-N 1 0 286.335 2.649 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599073711 350371889 /nfs/dbraw/zinc/37/18/89/350371889.db2.gz PGDZVCAZAZISPN-GDLCADMTSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1COC1)CCCC2 ZINC000599080021 350371976 /nfs/dbraw/zinc/37/19/76/350371976.db2.gz IUQNDWMJKLFIBZ-OAHLLOKOSA-N 1 0 276.336 2.598 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000599083369 350372490 /nfs/dbraw/zinc/37/24/90/350372490.db2.gz KBHVUPYIMFJSOS-CQSZACIVSA-N 1 0 287.319 2.936 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1COC1 ZINC000599081536 350372584 /nfs/dbraw/zinc/37/25/84/350372584.db2.gz OIKNQZPGZZONBQ-ZFWWWQNUSA-N 1 0 290.363 2.542 20 5 CFBDRO CCC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599083500 350372704 /nfs/dbraw/zinc/37/27/04/350372704.db2.gz XXNVPGGTGUBOCY-GLQYFDAESA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000599083865 350373113 /nfs/dbraw/zinc/37/31/13/350373113.db2.gz NBXMBIKXTCUAPK-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599093794 350375092 /nfs/dbraw/zinc/37/50/92/350375092.db2.gz VXUONEFVYGMWLS-UBHSHLNASA-N 1 0 264.325 2.813 20 5 CFBDRO COC(=O)CCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000599425921 350434787 /nfs/dbraw/zinc/43/47/87/350434787.db2.gz RSZCRUBVQGHIND-UHFFFAOYSA-N 1 0 294.351 2.763 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655151 350473796 /nfs/dbraw/zinc/47/37/96/350473796.db2.gz JDWTUYZNQJQPGD-SGMGOOAPSA-N 1 0 278.352 2.667 20 5 CFBDRO C[N@@H+]1CC[C@H](CSCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000600569261 350572415 /nfs/dbraw/zinc/57/24/15/350572415.db2.gz NJRWYNZFTRXOHV-LBPRGKRZSA-N 1 0 296.392 2.659 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708818 350599133 /nfs/dbraw/zinc/59/91/33/350599133.db2.gz GODQZAQZYZOPAM-OBJOEFQTSA-N 1 0 277.368 2.694 20 5 CFBDRO C[C@@H]([NH2+]CCc1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000108942073 186236419 /nfs/dbraw/zinc/23/64/19/186236419.db2.gz RKMDCIMZNPKPHA-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@@H]([NH2+]CCc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000108941860 186236500 /nfs/dbraw/zinc/23/65/00/186236500.db2.gz KAIDWJDMGDXTPW-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOC2)c(Cl)c1 ZINC000109546636 186261600 /nfs/dbraw/zinc/26/16/00/186261600.db2.gz SBJJIXDBZQHEAB-JTQLQIEISA-N 1 0 270.716 2.517 20 5 CFBDRO C[NH2+]Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600795471 350614322 /nfs/dbraw/zinc/61/43/22/350614322.db2.gz XMUCGJZARRSNRB-UHFFFAOYSA-N 1 0 286.331 2.516 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000601226303 350702620 /nfs/dbraw/zinc/70/26/20/350702620.db2.gz FEBQQNUXVLDNSU-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO C[NH+](C)CC1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601132813 350677700 /nfs/dbraw/zinc/67/77/00/350677700.db2.gz OAGUJSJWXREESA-UHFFFAOYSA-N 1 0 296.346 2.661 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601160549 350684949 /nfs/dbraw/zinc/68/49/49/350684949.db2.gz XTKYXGCSJGFYKE-RKDXNWHRSA-N 1 0 290.241 2.644 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000601189717 350692329 /nfs/dbraw/zinc/69/23/29/350692329.db2.gz MFDVNIXRQKQUES-NEPJUHHUSA-N 1 0 294.330 2.558 20 5 CFBDRO CC(C)(F)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601287587 350717839 /nfs/dbraw/zinc/71/78/39/350717839.db2.gz KCHFXMUSKXYKBB-NSHDSACASA-N 1 0 252.289 2.920 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)F ZINC000601287592 350717978 /nfs/dbraw/zinc/71/79/78/350717978.db2.gz KPUAFGCILAFTAM-JTQLQIEISA-N 1 0 297.330 2.650 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601300831 350719042 /nfs/dbraw/zinc/71/90/42/350719042.db2.gz JVTIHFYKWIYSNN-LAEOZQHASA-N 1 0 292.257 2.557 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601299068 350719221 /nfs/dbraw/zinc/71/92/21/350719221.db2.gz NIGXANSUMFZSNI-JOYOIKCWSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000601301131 350719981 /nfs/dbraw/zinc/71/99/81/350719981.db2.gz RRRSRCRWRYWIAL-VAOFZXAKSA-N 1 0 292.257 2.557 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCCCC[C@@H]([NH3+])C1 ZINC000601324904 350724504 /nfs/dbraw/zinc/72/45/04/350724504.db2.gz PXSHPTDNAOAZLV-CHWSQXEVSA-N 1 0 277.368 2.859 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCOCC2)c(Cl)c1 ZINC000111163418 186363750 /nfs/dbraw/zinc/36/37/50/186363750.db2.gz MUCXEXCYKWCWPE-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO CC(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000602022216 350834037 /nfs/dbraw/zinc/83/40/37/350834037.db2.gz RRHJDLZXVXWNTE-OKILXGFUSA-N 1 0 289.379 2.654 20 5 CFBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602483252 350902072 /nfs/dbraw/zinc/90/20/72/350902072.db2.gz FTODNNOQMNORGO-ZDUSSCGKSA-N 1 0 280.372 2.873 20 5 CFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602502667 350907247 /nfs/dbraw/zinc/90/72/47/350907247.db2.gz LSAPWTJARLTSSY-MRVPVSSYSA-N 1 0 261.281 2.624 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000602599164 350940566 /nfs/dbraw/zinc/94/05/66/350940566.db2.gz FNFXFGLXAWFLEX-AWEZNQCLSA-N 1 0 298.770 2.805 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000602547216 350919926 /nfs/dbraw/zinc/91/99/26/350919926.db2.gz BHWWZFDMRRZPHG-LDYMZIIASA-N 1 0 286.278 2.737 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000602547204 350919930 /nfs/dbraw/zinc/91/99/30/350919930.db2.gz BHWWZFDMRRZPHG-KCJUWKMLSA-N 1 0 286.278 2.737 20 5 CFBDRO CO[C@@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602558840 350924068 /nfs/dbraw/zinc/92/40/68/350924068.db2.gz FUAZDKKTTKQUNB-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602581591 350933815 /nfs/dbraw/zinc/93/38/15/350933815.db2.gz VANSMCMGWRJTMG-CQSZACIVSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000602432389 350880066 /nfs/dbraw/zinc/88/00/66/350880066.db2.gz KGMZJDUZMMXYIE-LBPRGKRZSA-N 1 0 279.340 2.605 20 5 CFBDRO COCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000602681781 350976002 /nfs/dbraw/zinc/97/60/02/350976002.db2.gz MESCBDBADROFBU-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cn1cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602686084 350978183 /nfs/dbraw/zinc/97/81/83/350978183.db2.gz OFPKAHSPRLEUKB-NSHDSACASA-N 1 0 280.372 2.586 20 5 CFBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602705172 350990308 /nfs/dbraw/zinc/99/03/08/350990308.db2.gz ZUOPFUVVJDHMFX-WCBMZHEXSA-N 1 0 293.348 2.720 20 5 CFBDRO C[C@@H](COCC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602713214 350994899 /nfs/dbraw/zinc/99/48/99/350994899.db2.gz QUXKIWOPBUBAQG-LBPRGKRZSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000602720989 350999748 /nfs/dbraw/zinc/99/97/48/350999748.db2.gz NWNIPWDTUTXQHU-AWEZNQCLSA-N 1 0 278.352 2.544 20 5 CFBDRO CSC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602728282 351003378 /nfs/dbraw/zinc/00/33/78/351003378.db2.gz YXFDBEVOVMKRQU-UHFFFAOYSA-N 1 0 280.393 2.965 20 5 CFBDRO Cc1c(C[NH2+]C2CC(n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000602634083 350954010 /nfs/dbraw/zinc/95/40/10/350954010.db2.gz OFLODLUVUHTNEP-UHFFFAOYSA-N 1 0 286.335 2.593 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC34CCC4)nc2c1 ZINC000602635614 350955241 /nfs/dbraw/zinc/95/52/41/350955241.db2.gz AMWFLJACKWKUSR-CYBMUJFWSA-N 1 0 286.335 2.893 20 5 CFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776757 351020957 /nfs/dbraw/zinc/02/09/57/351020957.db2.gz DFIJOLUSZUBSTB-WCQYABFASA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@H]1OCC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602783705 351023999 /nfs/dbraw/zinc/02/39/99/351023999.db2.gz KTVPWFBFBLXUND-OCCSQVGLSA-N 1 0 290.363 2.984 20 5 CFBDRO O=c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc[nH]1 ZINC000602798239 351029528 /nfs/dbraw/zinc/02/95/28/351029528.db2.gz PMAFEBNPTFVVKN-UHFFFAOYSA-N 1 0 299.330 2.860 20 5 CFBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602808405 351033770 /nfs/dbraw/zinc/03/37/70/351033770.db2.gz YWJAWHZPKDZLOY-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO CCC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602811837 351034649 /nfs/dbraw/zinc/03/46/49/351034649.db2.gz ZAFFTZFXYWWCFA-ZDUSSCGKSA-N 1 0 280.372 2.754 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CCC1)C(C)C ZINC000602816798 351036111 /nfs/dbraw/zinc/03/61/11/351036111.db2.gz CLBKJLDVVRMXAF-UHFFFAOYSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccc1C ZINC000602991855 351086820 /nfs/dbraw/zinc/08/68/20/351086820.db2.gz UCNGMTYHUKSDCT-GFCCVEGCSA-N 1 0 288.351 2.759 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cs1 ZINC000602997855 351088303 /nfs/dbraw/zinc/08/83/03/351088303.db2.gz SCGDVRNSMZTUQT-AGIUHOORSA-N 1 0 296.392 2.782 20 5 CFBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000603031023 351092562 /nfs/dbraw/zinc/09/25/62/351092562.db2.gz ZPPOUWNSSCRBSS-OAHLLOKOSA-N 1 0 292.383 2.836 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2N)cc1[N+](=O)[O-] ZINC000603426876 351162441 /nfs/dbraw/zinc/16/24/41/351162441.db2.gz QXFIMKVIGKFRHW-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CCCC3)CC2)c1 ZINC000603681454 351178396 /nfs/dbraw/zinc/17/83/96/351178396.db2.gz PWRGYGKVQLFGCW-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000603847767 351185461 /nfs/dbraw/zinc/18/54/61/351185461.db2.gz RNTZQORTXNUVRG-GFCCVEGCSA-N 1 0 292.364 2.766 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000604433467 351212133 /nfs/dbraw/zinc/21/21/33/351212133.db2.gz IRSLIVYMQMJLAA-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO C[NH+](C)CCc1ccc(Nc2cccnc2[N+](=O)[O-])cc1 ZINC000609384233 351500260 /nfs/dbraw/zinc/50/02/60/351500260.db2.gz XUOLDDFFKWILGX-UHFFFAOYSA-N 1 0 286.335 2.838 20 5 CFBDRO Cc1c(CN2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609385597 351500372 /nfs/dbraw/zinc/50/03/72/351500372.db2.gz CDNAFMLUNGKGBM-HNNXBMFYSA-N 1 0 291.395 2.866 20 5 CFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000608885953 351480904 /nfs/dbraw/zinc/48/09/04/351480904.db2.gz XVQFHYNRQNOWAE-UHFFFAOYSA-N 1 0 299.396 2.569 20 5 CFBDRO COCCC[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000608885668 351480922 /nfs/dbraw/zinc/48/09/22/351480922.db2.gz GTDHDPCWVQNWTR-UHFFFAOYSA-N 1 0 299.396 2.569 20 5 CFBDRO O=[N+]([O-])c1ccccc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608909530 351482113 /nfs/dbraw/zinc/48/21/13/351482113.db2.gz VXDIRGYZHHSRQB-UHFFFAOYSA-N 1 0 281.275 2.919 20 5 CFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000610002057 351530575 /nfs/dbraw/zinc/53/05/75/351530575.db2.gz ZKVCYGJUJVFQNC-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000610804165 351610606 /nfs/dbraw/zinc/61/06/06/351610606.db2.gz FXYBPKLEQBAZNM-STQMWFEESA-N 1 0 277.368 2.648 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@H]21 ZINC000610808063 351610693 /nfs/dbraw/zinc/61/06/93/351610693.db2.gz ZRIWBYQBINEWAN-WDEREUQCSA-N 1 0 281.381 2.577 20 5 CFBDRO COC(=O)CCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000610341825 351555920 /nfs/dbraw/zinc/55/59/20/351555920.db2.gz XTFRHGUSOJCLOZ-LLVKDONJSA-N 1 0 280.324 2.589 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611271133 351661315 /nfs/dbraw/zinc/66/13/15/351661315.db2.gz JCQKSBFIIQNGPG-OWNNVSBGSA-N 1 0 289.379 2.634 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611092283 351640196 /nfs/dbraw/zinc/64/01/96/351640196.db2.gz NLQNSYYMNVEDEE-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000611133198 351643691 /nfs/dbraw/zinc/64/36/91/351643691.db2.gz FQDZFRIGLQTTAJ-CQSZACIVSA-N 1 0 284.319 2.588 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC000611191705 351651024 /nfs/dbraw/zinc/65/10/24/351651024.db2.gz HSMLUVSYNZTOPR-GFCCVEGCSA-N 1 0 290.367 2.809 20 5 CFBDRO CCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254433 351658573 /nfs/dbraw/zinc/65/85/73/351658573.db2.gz WJVGNBDSFWGKPB-UHFFFAOYSA-N 1 0 292.335 2.740 20 5 CFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412734 351686026 /nfs/dbraw/zinc/68/60/26/351686026.db2.gz HYNYSCIWQYRGFE-GFCCVEGCSA-N 1 0 295.408 2.824 20 5 CFBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000120800482 186926814 /nfs/dbraw/zinc/92/68/14/186926814.db2.gz ZHCZYQIFVZFYPF-NEPJUHHUSA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(C)O ZINC000611470307 351694226 /nfs/dbraw/zinc/69/42/26/351694226.db2.gz WYRJSVAMRVZUJB-RYUDHWBXSA-N 1 0 280.368 2.665 20 5 CFBDRO CC[N@@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000611516708 351702533 /nfs/dbraw/zinc/70/25/33/351702533.db2.gz DENTZBZECLWCBZ-KGLIPLIRSA-N 1 0 291.395 2.990 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(O)cc2)c1 ZINC000611526220 351704599 /nfs/dbraw/zinc/70/45/99/351704599.db2.gz KRWHNHMMLDWJBU-UHFFFAOYSA-N 1 0 272.304 2.633 20 5 CFBDRO CCOc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611298466 351665133 /nfs/dbraw/zinc/66/51/33/351665133.db2.gz VGSQHWTXCOODAX-NEPJUHHUSA-N 1 0 293.367 2.522 20 5 CFBDRO CCOc1cc(N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000611297740 351665487 /nfs/dbraw/zinc/66/54/87/351665487.db2.gz GQHMGXGAYCZUAB-CYBMUJFWSA-N 1 0 293.367 2.524 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611336014 351668841 /nfs/dbraw/zinc/66/88/41/351668841.db2.gz NXPIRQVBDZTJRM-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611943560 351754429 /nfs/dbraw/zinc/75/44/29/351754429.db2.gz NYCNNIKORVPEQE-NSHDSACASA-N 1 0 282.315 2.735 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122957404 187062248 /nfs/dbraw/zinc/06/22/48/187062248.db2.gz QUBXXHDBVOQDLY-PHIMTYICSA-N 1 0 264.325 2.976 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3C[C@H]4CCC[C@@H]4C3)nc2c1 ZINC000614261519 352072440 /nfs/dbraw/zinc/07/24/40/352072440.db2.gz IGAJXASKSREPMB-GHMZBOCLSA-N 1 0 286.335 2.703 20 5 CFBDRO COc1cccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000613876769 352020308 /nfs/dbraw/zinc/02/03/08/352020308.db2.gz IKKLZRCJIRRBTF-GFCCVEGCSA-N 1 0 293.367 2.570 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000614776594 352119952 /nfs/dbraw/zinc/11/99/52/352119952.db2.gz AGYGTNHWJHKKIW-MRXNPFEDSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C2CC2)C1 ZINC000614408606 352090633 /nfs/dbraw/zinc/09/06/33/352090633.db2.gz PZRFSLIRLOZELY-NHYWBVRUSA-N 1 0 276.336 2.767 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])s2)CCC1 ZINC000614978451 352138211 /nfs/dbraw/zinc/13/82/11/352138211.db2.gz BMOFKVUCWJMUGW-UHFFFAOYSA-N 1 0 255.343 2.553 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271473433 191159067 /nfs/dbraw/zinc/15/90/67/191159067.db2.gz IRJFPBSTURIHTI-RYUDHWBXSA-N 1 0 288.351 2.990 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000271547643 191205251 /nfs/dbraw/zinc/20/52/51/191205251.db2.gz RSLQTMLCESTNRV-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])s2)CCCO1 ZINC000617843271 352656557 /nfs/dbraw/zinc/65/65/57/352656557.db2.gz UZFWOUBNNLPERD-NSHDSACASA-N 1 0 299.396 2.569 20 5 CFBDRO CCOc1cccc(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000134913216 187781754 /nfs/dbraw/zinc/78/17/54/187781754.db2.gz COFLJQQZAVCSAY-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000206785851 539907320 /nfs/dbraw/zinc/90/73/20/539907320.db2.gz ZLNWNQIQHSNXFY-UHFFFAOYSA-N 1 0 294.351 2.806 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000292131982 198175771 /nfs/dbraw/zinc/17/57/71/198175771.db2.gz LKEDZKPKOQQCKD-LBPRGKRZSA-N 1 0 278.352 2.989 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC4)CC3)nc2c1 ZINC000618291074 352749502 /nfs/dbraw/zinc/74/95/02/352749502.db2.gz FUOJSZWYBNKFMO-UHFFFAOYSA-N 1 0 286.335 2.847 20 5 CFBDRO O=[N+]([O-])c1sccc1NCC1CC[NH+](C2CC2)CC1 ZINC000618346573 352756212 /nfs/dbraw/zinc/75/62/12/352756212.db2.gz RKXQAWAJOHMWKR-UHFFFAOYSA-N 1 0 281.381 2.943 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618573003 352814870 /nfs/dbraw/zinc/81/48/70/352814870.db2.gz HIXSQBQJHXLRDW-YGRLFVJLSA-N 1 0 278.352 2.721 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000136803830 187887982 /nfs/dbraw/zinc/88/79/82/187887982.db2.gz YKLQMUKDJYENDI-LRDDRELGSA-N 1 0 286.331 2.979 20 5 CFBDRO CC(C)([NH2+]CCC1OCCCO1)c1ccccc1[N+](=O)[O-] ZINC000292206524 198202025 /nfs/dbraw/zinc/20/20/25/198202025.db2.gz SSNBJPZVNKFJCV-UHFFFAOYSA-N 1 0 294.351 2.573 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292223294 198208173 /nfs/dbraw/zinc/20/81/73/198208173.db2.gz VCAGBJAGRMBNFI-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000292218570 198206687 /nfs/dbraw/zinc/20/66/87/198206687.db2.gz UUMHQWGZWAHBEO-NSHDSACASA-N 1 0 264.325 2.599 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000152322418 188010082 /nfs/dbraw/zinc/01/00/82/188010082.db2.gz XLNROQVQASWOTA-UONOGXRCSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000153114904 188064886 /nfs/dbraw/zinc/06/48/86/188064886.db2.gz KBBPUFMFIDBDMA-KLPPZKSPSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCOC1)C1CC1 ZINC000153105276 188065353 /nfs/dbraw/zinc/06/53/53/188065353.db2.gz KVYNSDLNXSVFDE-DOMZBBRYSA-N 1 0 290.363 2.542 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CC)cc1[N+](=O)[O-] ZINC000153668693 188095668 /nfs/dbraw/zinc/09/56/68/188095668.db2.gz UGSMFSJDPFZEIC-NHYWBVRUSA-N 1 0 296.367 2.805 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000154213277 188129681 /nfs/dbraw/zinc/12/96/81/188129681.db2.gz GCSZFMRGRXBYME-RYUDHWBXSA-N 1 0 296.367 2.805 20 5 CFBDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155820178 188229649 /nfs/dbraw/zinc/22/96/49/188229649.db2.gz ARXMLUBFGDQHPT-XEZPLFJOSA-N 1 0 291.395 2.974 20 5 CFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1C ZINC000157653215 188331181 /nfs/dbraw/zinc/33/11/81/188331181.db2.gz KVKIRHMCKJAVLD-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157716515 188334321 /nfs/dbraw/zinc/33/43/21/188334321.db2.gz RFTXSVBWVGEHMU-NSHDSACASA-N 1 0 292.314 2.623 20 5 CFBDRO CC[C@H]([NH2+]C[C@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000158243748 188365008 /nfs/dbraw/zinc/36/50/08/188365008.db2.gz YQKNTNRWJSPNOF-UONOGXRCSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)c(F)c1 ZINC000292705993 198382643 /nfs/dbraw/zinc/38/26/43/198382643.db2.gz LFUZTGFAVMQFMS-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO CC[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000158667135 188387810 /nfs/dbraw/zinc/38/78/10/188387810.db2.gz AYLNMJIIJMOCMB-UHFFFAOYSA-N 1 0 290.319 2.669 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660701 188388281 /nfs/dbraw/zinc/38/82/81/188388281.db2.gz KUEKHMYWLVJCRK-ZBFHGGJFSA-N 1 0 289.379 2.511 20 5 CFBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000168136471 188646005 /nfs/dbraw/zinc/64/60/05/188646005.db2.gz MEDGDVHAOGVTAF-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO CCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000271770089 191315748 /nfs/dbraw/zinc/31/57/48/191315748.db2.gz BIOODMUWMVZWHP-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000271820235 191346926 /nfs/dbraw/zinc/34/69/26/191346926.db2.gz NMOGYDYNLSQNDO-MRXNPFEDSA-N 1 0 298.342 2.907 20 5 CFBDRO CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000567915236 290504944 /nfs/dbraw/zinc/50/49/44/290504944.db2.gz LRVIDZUBCLHULQ-CQSZACIVSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294317181 198996194 /nfs/dbraw/zinc/99/61/94/198996194.db2.gz OEHBYKDOWXPKPJ-MDZLAQPJSA-N 1 0 293.367 2.500 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)CO ZINC000294702818 199142436 /nfs/dbraw/zinc/14/24/36/199142436.db2.gz DBFNZZVHOXUMMH-UHFFFAOYSA-N 1 0 286.759 2.699 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296567070 199934514 /nfs/dbraw/zinc/93/45/14/199934514.db2.gz SPOJGXNMGOMLLA-GFCCVEGCSA-N 1 0 280.368 2.962 20 5 CFBDRO [NH3+]CCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000231784450 283436043 /nfs/dbraw/zinc/43/60/43/283436043.db2.gz SNDBFIVDACUDMW-UHFFFAOYSA-N 1 0 285.347 2.556 20 5 CFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296859639 200018679 /nfs/dbraw/zinc/01/86/79/200018679.db2.gz YURXYTXIIAETNW-NWDGAFQWSA-N 1 0 293.367 2.550 20 5 CFBDRO CCC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296879838 200024072 /nfs/dbraw/zinc/02/40/72/200024072.db2.gz WVDOQZDZUWNETQ-OAHLLOKOSA-N 1 0 278.352 2.720 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297227547 200119807 /nfs/dbraw/zinc/11/98/07/200119807.db2.gz TVAYHKBVQMZOST-UHFFFAOYSA-N 1 0 295.387 2.617 20 5 CFBDRO C[C@H]1CCNC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917285 237346603 /nfs/dbraw/zinc/34/66/03/237346603.db2.gz FVSXOXWOMYVFRY-BBRMVZONSA-N 1 0 291.395 2.505 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000178149417 189093166 /nfs/dbraw/zinc/09/31/66/189093166.db2.gz BKRHNYCWNVFSMO-GFCCVEGCSA-N 1 0 290.323 2.606 20 5 CFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000178207046 189097533 /nfs/dbraw/zinc/09/75/33/189097533.db2.gz CFAXXMFBSPUBAE-LLVKDONJSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000178249398 189100386 /nfs/dbraw/zinc/10/03/86/189100386.db2.gz JGCHYEUBKCSVNU-NWDGAFQWSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000178431191 189115917 /nfs/dbraw/zinc/11/59/17/189115917.db2.gz UHQBWRQKSDQHKB-ZIAGYGMSSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000301123770 200920487 /nfs/dbraw/zinc/92/04/87/200920487.db2.gz ZXPJQWHVFCUUJI-UPJWGTAASA-N 1 0 292.383 2.768 20 5 CFBDRO Cc1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301424331 201003947 /nfs/dbraw/zinc/00/39/47/201003947.db2.gz BGXZPVRBUBZBRR-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1C[C@H]2C[C@H]2C1 ZINC000424205516 238709407 /nfs/dbraw/zinc/70/94/07/238709407.db2.gz NTMAVPWOLOYBGO-ZBNNMFCCSA-N 1 0 258.321 2.996 20 5 CFBDRO Cc1cc[nH+]c(NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000301632985 201106772 /nfs/dbraw/zinc/10/67/72/201106772.db2.gz JXWNDOMKRMBVDS-UHFFFAOYSA-N 1 0 272.308 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCn1cccn1 ZINC000182779183 189334838 /nfs/dbraw/zinc/33/48/38/189334838.db2.gz QTBJUNNXWGNZFM-ZDUSSCGKSA-N 1 0 288.351 2.793 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183363304 189356463 /nfs/dbraw/zinc/35/64/63/189356463.db2.gz VIIJWJBBHOOQHK-ZBFHGGJFSA-N 1 0 289.379 2.572 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301733652 201165054 /nfs/dbraw/zinc/16/50/54/201165054.db2.gz GCCJKEWIQMABAG-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO C[NH+]1CCC(CCNc2sccc2[N+](=O)[O-])CC1 ZINC000301982396 201286369 /nfs/dbraw/zinc/28/63/69/201286369.db2.gz HVRTVJFAZQRYLF-UHFFFAOYSA-N 1 0 269.370 2.800 20 5 CFBDRO Cc1cc(NCCn2cccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302066961 201329948 /nfs/dbraw/zinc/32/99/48/201329948.db2.gz AYJKDBYFKBHVCO-UHFFFAOYSA-N 1 0 297.318 2.760 20 5 CFBDRO Cc1nc(NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302194751 201390401 /nfs/dbraw/zinc/39/04/01/201390401.db2.gz WYPDSFFZPMFSOM-LBPRGKRZSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188006919 189485193 /nfs/dbraw/zinc/48/51/93/189485193.db2.gz XGOIQVDRMLYBIA-JMSVASOKSA-N 1 0 278.352 2.797 20 5 CFBDRO C[NH+](C)CCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433146502 240109920 /nfs/dbraw/zinc/10/99/20/240109920.db2.gz VNBLJDBBFLWMMI-OAHLLOKOSA-N 1 0 291.395 2.859 20 5 CFBDRO Cc1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433810458 240178856 /nfs/dbraw/zinc/17/88/56/240178856.db2.gz KAKPTKANVCCZQK-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330922 241053053 /nfs/dbraw/zinc/05/30/53/241053053.db2.gz USPMPWQFYMKBPR-HFAKWTLXSA-N 1 0 296.342 2.715 20 5 CFBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444593913 241152425 /nfs/dbraw/zinc/15/24/25/241152425.db2.gz LFCLSNLACAIDGV-UHFFFAOYSA-N 1 0 262.313 2.701 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444642046 241158349 /nfs/dbraw/zinc/15/83/49/241158349.db2.gz QHKQXDUUWVNEDW-SNVBAGLBSA-N 1 0 274.324 2.703 20 5 CFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000444648414 241160627 /nfs/dbraw/zinc/16/06/27/241160627.db2.gz JOVHMOZUBJAQRV-UHFFFAOYSA-N 1 0 274.324 2.703 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000446730393 241320205 /nfs/dbraw/zinc/32/02/05/241320205.db2.gz VNYMXKURUZNUNN-CYBMUJFWSA-N 1 0 278.352 2.952 20 5 CFBDRO CC(C)C1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446840785 241332882 /nfs/dbraw/zinc/33/28/82/241332882.db2.gz IUYZFFSKWVKIAG-UHFFFAOYSA-N 1 0 288.351 2.995 20 5 CFBDRO COCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449082624 241684725 /nfs/dbraw/zinc/68/47/25/241684725.db2.gz OPGKOUPPTOFKPN-GFCCVEGCSA-N 1 0 266.341 2.542 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169231 241740066 /nfs/dbraw/zinc/74/00/66/241740066.db2.gz OCZKWCXVAGEATA-OCCSQVGLSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC000449249501 241793971 /nfs/dbraw/zinc/79/39/71/241793971.db2.gz JHZVLDARGGLWKM-OCCSQVGLSA-N 1 0 278.352 2.685 20 5 CFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000449506502 241987211 /nfs/dbraw/zinc/98/72/11/241987211.db2.gz KZMAFAIGGDIHGT-HOTGVXAUSA-N 1 0 294.395 2.974 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449589996 242053610 /nfs/dbraw/zinc/05/36/10/242053610.db2.gz NRQXALUFHYINGJ-BNEDENDOSA-N 1 0 290.363 2.749 20 5 CFBDRO CCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])COC1 ZINC000449604235 242061385 /nfs/dbraw/zinc/06/13/85/242061385.db2.gz WUIWKEUJLDGMBX-ALCCZGGFSA-N 1 0 276.336 2.624 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000449534978 242011832 /nfs/dbraw/zinc/01/18/32/242011832.db2.gz CSPYJNNRKDVKND-BXUZGUMPSA-N 1 0 280.368 2.967 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449549745 242018630 /nfs/dbraw/zinc/01/86/30/242018630.db2.gz AFPKPKGCHQDKAY-NFAWXSAZSA-N 1 0 290.363 2.578 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000449738695 242126323 /nfs/dbraw/zinc/12/63/23/242126323.db2.gz DTXBZCUVWYQZOW-INIZCTEOSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CCCO)C2)c(Cl)c1 ZINC000449793862 242171971 /nfs/dbraw/zinc/17/19/71/242171971.db2.gz YLSNBCTXLIHINZ-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO Cc1nccnc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000275895776 193158272 /nfs/dbraw/zinc/15/82/72/193158272.db2.gz RKMGVFKOKBDTCT-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H](C)C1 ZINC000452059893 243029499 /nfs/dbraw/zinc/02/94/99/243029499.db2.gz CLSXXKPBNKJRMT-FRRDWIJNSA-N 1 0 280.372 2.596 20 5 CFBDRO COCC1(C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330638557 203067164 /nfs/dbraw/zinc/06/71/64/203067164.db2.gz CZQUFNUCKQBTNQ-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO CCOCCOCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276228319 193250210 /nfs/dbraw/zinc/25/02/10/193250210.db2.gz JZWFRRLPWFTNTC-ZDUSSCGKSA-N 1 0 296.367 2.641 20 5 CFBDRO CS[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331019265 203471837 /nfs/dbraw/zinc/47/18/37/203471837.db2.gz QUODGACEDBLLKF-WOPDTQHZSA-N 1 0 298.412 2.616 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277004922 193527836 /nfs/dbraw/zinc/52/78/36/193527836.db2.gz IJDOEOXYLXJIRV-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459746809 245301365 /nfs/dbraw/zinc/30/13/65/245301365.db2.gz VHJYKFRETBRSMV-UHFFFAOYSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459765514 245312882 /nfs/dbraw/zinc/31/28/82/245312882.db2.gz PHDCZUZMGHEBJL-NEPJUHHUSA-N 1 0 288.351 2.610 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459777813 245320972 /nfs/dbraw/zinc/32/09/72/245320972.db2.gz YPTMMRJLVLCMLO-UARNIUSMSA-N 1 0 276.361 2.798 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000037156962 372659458 /nfs/dbraw/zinc/65/94/58/372659458.db2.gz UHPFTLGXYYASTJ-QWHCGFSZSA-N 1 0 288.351 2.839 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649784 372686686 /nfs/dbraw/zinc/68/66/86/372686686.db2.gz UTUCNIABPYFHTA-GFCCVEGCSA-N 1 0 275.352 2.799 20 5 CFBDRO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000037985906 372749161 /nfs/dbraw/zinc/74/91/61/372749161.db2.gz HEWCMFDKOKUUMO-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000038013900 372767612 /nfs/dbraw/zinc/76/76/12/372767612.db2.gz BRXBPGBTBOIYGJ-NWDGAFQWSA-N 1 0 293.367 2.550 20 5 CFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000038013899 372768224 /nfs/dbraw/zinc/76/82/24/372768224.db2.gz BRXBPGBTBOIYGJ-VXGBXAGGSA-N 1 0 293.367 2.550 20 5 CFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038013964 372769163 /nfs/dbraw/zinc/76/91/63/372769163.db2.gz WLRWOGFVMUNHEX-NWDGAFQWSA-N 1 0 293.367 2.550 20 5 CFBDRO CC1CC[NH+](CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000040772393 372786388 /nfs/dbraw/zinc/78/63/88/372786388.db2.gz CMTMHDDVGCEMDS-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1[N+](=O)[O-] ZINC000041152987 372821526 /nfs/dbraw/zinc/82/15/26/372821526.db2.gz IBPPZGGCOITGLJ-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO Cc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000040998088 372803017 /nfs/dbraw/zinc/80/30/17/372803017.db2.gz GKVBRSHLUJHQMM-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO O=[N+]([O-])c1ccccc1NCC1CC[NH+](C2CC2)CC1 ZINC000277609406 193707640 /nfs/dbraw/zinc/70/76/40/193707640.db2.gz ASOXWRBNWASKGE-UHFFFAOYSA-N 1 0 275.352 2.881 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045657027 373025576 /nfs/dbraw/zinc/02/55/76/373025576.db2.gz ILPUPYHFXRMXLU-CMPLNLGQSA-N 1 0 266.341 2.836 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048336864 373166022 /nfs/dbraw/zinc/16/60/22/373166022.db2.gz KZAHOOYGVLVGAJ-CHWSQXEVSA-N 1 0 261.325 2.634 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000047873376 373125479 /nfs/dbraw/zinc/12/54/79/373125479.db2.gz GOIQABSHEDDUEO-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])nc2)([NH+](C)C)C1 ZINC000048553454 373198925 /nfs/dbraw/zinc/19/89/25/373198925.db2.gz XNASTAXCEIBPNG-SWLSCSKDSA-N 1 0 292.383 2.912 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000048566582 373200634 /nfs/dbraw/zinc/20/06/34/373200634.db2.gz YIONTWLSMNCYGX-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO CC(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442610 373297797 /nfs/dbraw/zinc/29/77/97/373297797.db2.gz HOKWWNKCJMUMBW-LLVKDONJSA-N 1 0 279.340 2.510 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000049558659 373310697 /nfs/dbraw/zinc/31/06/97/373310697.db2.gz KQSHTNIRVWPYGG-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000049854609 373323807 /nfs/dbraw/zinc/32/38/07/373323807.db2.gz ITJZCTLMHJEMQW-UHFFFAOYSA-N 1 0 278.352 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCO2)c(Cl)c1 ZINC000049963244 373337705 /nfs/dbraw/zinc/33/77/05/373337705.db2.gz VSBSCWSBBTWEPZ-LLVKDONJSA-N 1 0 270.716 2.517 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963641 373338632 /nfs/dbraw/zinc/33/86/32/373338632.db2.gz DLDDOHGYRDNLJV-SNVBAGLBSA-N 1 0 294.742 2.623 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051994443 373426278 /nfs/dbraw/zinc/42/62/78/373426278.db2.gz OPFXLHVFQMLPSH-WHOFXGATSA-N 1 0 278.352 2.857 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000051502241 373398512 /nfs/dbraw/zinc/39/85/12/373398512.db2.gz ZCVDOESEJFYYND-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO CC[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054128051 373499776 /nfs/dbraw/zinc/49/97/76/373499776.db2.gz BIWDQMVRZXVMJM-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO COc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252872333 220229314 /nfs/dbraw/zinc/22/93/14/220229314.db2.gz PBMPCXMFOGZRHX-NEPJUHHUSA-N 1 0 291.351 2.642 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000062053211 373745151 /nfs/dbraw/zinc/74/51/51/373745151.db2.gz XQUQEPOKPWWWLM-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075629 373746702 /nfs/dbraw/zinc/74/67/02/373746702.db2.gz IUBZVBVSXXQLGJ-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000289548625 197398577 /nfs/dbraw/zinc/39/85/77/197398577.db2.gz OBXJEHLAHJWFPY-CQSZACIVSA-N 1 0 298.770 2.889 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000064635887 373832658 /nfs/dbraw/zinc/83/26/58/373832658.db2.gz RSDSSQITSFDGHR-UHFFFAOYSA-N 1 0 292.257 2.858 20 5 CFBDRO Cc1c(C[NH2+][C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000063002549 373780931 /nfs/dbraw/zinc/78/09/31/373780931.db2.gz HCHOXDGCDXWOAP-OAHLLOKOSA-N 1 0 286.331 2.726 20 5 CFBDRO Cc1c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063196032 373793941 /nfs/dbraw/zinc/79/39/41/373793941.db2.gz HOAXCUVNBDHESY-IUODEOHRSA-N 1 0 277.368 2.605 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000068451024 374030349 /nfs/dbraw/zinc/03/03/49/374030349.db2.gz OMJAFIGAODTECN-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571461723 383696762 /nfs/dbraw/zinc/69/67/62/383696762.db2.gz MNDIHZPIZBPNNR-LALPHHSUSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000070011540 374114317 /nfs/dbraw/zinc/11/43/17/374114317.db2.gz GMMBKMQBZMZXGG-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC1CC1 ZINC000070102261 374125841 /nfs/dbraw/zinc/12/58/41/374125841.db2.gz SKLCETKLYHKYIU-SNVBAGLBSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CC1 ZINC000072632727 374270848 /nfs/dbraw/zinc/27/08/48/374270848.db2.gz GXBJGBCFFWSYOZ-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1csc([N+](=O)[O-])c1 ZINC000075860939 374509582 /nfs/dbraw/zinc/50/95/82/374509582.db2.gz SFYUCBQBUSMNGH-CYBMUJFWSA-N 1 0 297.424 2.963 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000081707703 374713656 /nfs/dbraw/zinc/71/36/56/374713656.db2.gz ZCTHLNOGFLNSJU-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000084439714 374775806 /nfs/dbraw/zinc/77/58/06/374775806.db2.gz JLIQDQYKQRSLAV-LLVKDONJSA-N 1 0 270.716 2.517 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092391947 375106525 /nfs/dbraw/zinc/10/65/25/375106525.db2.gz KNECDQQNLMHVEY-AAEUAGOBSA-N 1 0 266.341 2.571 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CS1 ZINC000094473108 375362601 /nfs/dbraw/zinc/36/26/01/375362601.db2.gz HAQRMZKQRMXZSC-MWLCHTKSSA-N 1 0 252.339 2.578 20 5 CFBDRO CCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000096971203 375494709 /nfs/dbraw/zinc/49/47/09/375494709.db2.gz AEJZWARPSJHKSP-UHFFFAOYSA-N 1 0 277.368 2.907 20 5 CFBDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000112716684 375954286 /nfs/dbraw/zinc/95/42/86/375954286.db2.gz JBMPJVSDYIGMJC-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112411221 375917866 /nfs/dbraw/zinc/91/78/66/375917866.db2.gz QLVAUNRNVOFHIE-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO C[C@H]1SCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118419796 376297196 /nfs/dbraw/zinc/29/71/96/376297196.db2.gz ZYECARBVOACRHO-NWDGAFQWSA-N 1 0 296.392 2.799 20 5 CFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000120019500 376529542 /nfs/dbraw/zinc/52/95/42/376529542.db2.gz JGGKHLCHPPNTRU-LBPRGKRZSA-N 1 0 252.339 2.532 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000129522014 377438911 /nfs/dbraw/zinc/43/89/11/377438911.db2.gz JPNPLRVNTVNSSC-QMMMGPOBSA-N 1 0 257.721 2.516 20 5 CFBDRO COC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130046791 377506234 /nfs/dbraw/zinc/50/62/34/377506234.db2.gz AEOGTYCAVXSHFO-UHFFFAOYSA-N 1 0 264.325 2.642 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000129623859 377454350 /nfs/dbraw/zinc/45/43/50/377454350.db2.gz NNPGTHVTMJHBNU-HBNTYKKESA-N 1 0 252.314 2.669 20 5 CFBDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130162552 377516772 /nfs/dbraw/zinc/51/67/72/377516772.db2.gz DSMUKQFGRDODBH-TZMCWYRMSA-N 1 0 292.379 2.667 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000130359819 377544275 /nfs/dbraw/zinc/54/42/75/377544275.db2.gz OGZQALOCHDBHNG-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC[NH+]1CCCC1 ZINC000130381172 377547641 /nfs/dbraw/zinc/54/76/41/377547641.db2.gz BGZDCOLLKHBWQR-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO CSCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131275182 377686292 /nfs/dbraw/zinc/68/62/92/377686292.db2.gz SRBRMLPPUPQSJK-UHFFFAOYSA-N 1 0 266.366 2.706 20 5 CFBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000133825263 377961207 /nfs/dbraw/zinc/96/12/07/377961207.db2.gz VWASTEZZNBRSII-DTWKUNHWSA-N 1 0 254.717 2.994 20 5 CFBDRO CSC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000135385360 378126544 /nfs/dbraw/zinc/12/65/44/378126544.db2.gz GVJFRLKULOSBER-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000135259015 378105857 /nfs/dbraw/zinc/10/58/57/378105857.db2.gz WEDVNUVWNAGGLR-UHFFFAOYSA-N 1 0 292.335 2.693 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150810163 378273293 /nfs/dbraw/zinc/27/32/93/378273293.db2.gz CEZQFJHMTATPCG-CQSZACIVSA-N 1 0 289.379 2.513 20 5 CFBDRO Cc1c([C@H](C)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000151931739 378374146 /nfs/dbraw/zinc/37/41/46/378374146.db2.gz HLUXYVQGNIAWEB-LBPRGKRZSA-N 1 0 265.357 2.506 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000152994511 378465178 /nfs/dbraw/zinc/46/51/78/378465178.db2.gz BJYHMZKFMDDHIM-CHWSQXEVSA-N 1 0 276.336 2.706 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)COC)cc1[N+](=O)[O-] ZINC000152512128 378424457 /nfs/dbraw/zinc/42/44/57/378424457.db2.gz ZYVDSOQJHJYLAS-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000153361024 378488429 /nfs/dbraw/zinc/48/84/29/378488429.db2.gz RGHOVDZXXODPQA-ZIAGYGMSSA-N 1 0 260.337 2.869 20 5 CFBDRO CCC[C@]1(C)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331046826 378620830 /nfs/dbraw/zinc/62/08/30/378620830.db2.gz GIDXOBGUJDKCOR-CQSZACIVSA-N 1 0 280.372 2.731 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332209192 378735960 /nfs/dbraw/zinc/73/59/60/378735960.db2.gz JHXVCGBXVUSOKA-RQJABVFESA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332261347 378741356 /nfs/dbraw/zinc/74/13/56/378741356.db2.gz FNVDTFXVNKKGTQ-UVBJJODRSA-N 1 0 289.379 2.702 20 5 CFBDRO [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332309350 378745445 /nfs/dbraw/zinc/74/54/45/378745445.db2.gz OWSCYQCGGKXMLJ-BZUAXINKSA-N 1 0 289.379 2.832 20 5 CFBDRO COC(=O)C1(N(C)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000159326353 378702308 /nfs/dbraw/zinc/70/23/08/378702308.db2.gz DLQUOQQCNQJJHE-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159521501 378714110 /nfs/dbraw/zinc/71/41/10/378714110.db2.gz ATSHLDZDNHYKDN-KFWWJZLASA-N 1 0 288.347 2.642 20 5 CFBDRO Cc1nc(NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000161509790 378852800 /nfs/dbraw/zinc/85/28/00/378852800.db2.gz NSMIYMUDUDSRDD-LBPRGKRZSA-N 1 0 292.383 2.975 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000163491916 378976912 /nfs/dbraw/zinc/97/69/12/378976912.db2.gz YHJNLGRDAZQMOW-STYXZAMGSA-N 1 0 298.408 2.793 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278584686 194056679 /nfs/dbraw/zinc/05/66/79/194056679.db2.gz DLVMZLXDCJODOT-GXSJLCMTSA-N 1 0 274.324 2.749 20 5 CFBDRO CC[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278599776 194063003 /nfs/dbraw/zinc/06/30/03/194063003.db2.gz FQRIHZQEMKJDFO-VIFPVBQESA-N 1 0 262.313 2.607 20 5 CFBDRO C[C@H](CC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278670016 194095057 /nfs/dbraw/zinc/09/50/57/194095057.db2.gz LMWIHIJXTXCFLE-SECBINFHSA-N 1 0 274.324 2.749 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350715 379069982 /nfs/dbraw/zinc/06/99/82/379069982.db2.gz FXZMNOXIMJNIFJ-CMPLNLGQSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H](CCCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000168247807 379082772 /nfs/dbraw/zinc/08/27/72/379082772.db2.gz KBEOWEFZYLQOKK-DOMZBBRYSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000278749416 194136650 /nfs/dbraw/zinc/13/66/50/194136650.db2.gz KCMUORIPIXTMAD-ZYHUDNBSSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128569 379238393 /nfs/dbraw/zinc/23/83/93/379238393.db2.gz VFCTZBBNNWMMNX-WDEREUQCSA-N 1 0 294.351 2.986 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171951881 379450115 /nfs/dbraw/zinc/45/01/15/379450115.db2.gz YGLDTJBKYBHGOL-NEPJUHHUSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171951792 379450332 /nfs/dbraw/zinc/45/03/32/379450332.db2.gz CADQYSHSJIYTRT-RYUDHWBXSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C2CC2)CC1 ZINC000171831530 379415502 /nfs/dbraw/zinc/41/55/02/379415502.db2.gz WRSPWAWTBPJUKT-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)c2ccccc2)cs1 ZINC000289440486 197350077 /nfs/dbraw/zinc/35/00/77/197350077.db2.gz LXBMTVYDHVMGLS-CYBMUJFWSA-N 1 0 292.360 2.870 20 5 CFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000174133190 379833270 /nfs/dbraw/zinc/83/32/70/379833270.db2.gz ZKRIRNMKALGVRI-GXFFZTMASA-N 1 0 284.381 2.950 20 5 CFBDRO CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242853 379850008 /nfs/dbraw/zinc/85/00/08/379850008.db2.gz JLLIIQSXVDEFSH-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000173986380 379811270 /nfs/dbraw/zinc/81/12/70/379811270.db2.gz DEIFZJOWUGTCRH-SECBINFHSA-N 1 0 297.742 2.671 20 5 CFBDRO CCN(CC)[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077629 284810593 /nfs/dbraw/zinc/81/05/93/284810593.db2.gz WESYGENVIZCDQA-ZIAGYGMSSA-N 1 0 293.411 2.846 20 5 CFBDRO CC(C)(C)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000174822926 379947928 /nfs/dbraw/zinc/94/79/28/379947928.db2.gz UFJNMTOQFNHOJA-UHFFFAOYSA-N 1 0 268.361 2.596 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000176201573 380194182 /nfs/dbraw/zinc/19/41/82/380194182.db2.gz BNIFJTVLKZKAJN-AWEZNQCLSA-N 1 0 286.335 2.628 20 5 CFBDRO CC(C)(C)CC(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000176211716 380195479 /nfs/dbraw/zinc/19/54/79/380195479.db2.gz NRILSORYDIWBGB-UHFFFAOYSA-N 1 0 268.361 2.596 20 5 CFBDRO CC[C@@H](C)[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176231812 380199562 /nfs/dbraw/zinc/19/95/62/380199562.db2.gz NVMANCPEWMNFGP-NEPJUHHUSA-N 1 0 280.372 2.690 20 5 CFBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178207267 380421311 /nfs/dbraw/zinc/42/13/11/380421311.db2.gz YBEPOFDFIWJIOO-CYBMUJFWSA-N 1 0 291.351 2.702 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000336796556 380645449 /nfs/dbraw/zinc/64/54/49/380645449.db2.gz UDIBVJZWYZTYFA-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCCC[C@@H]1C ZINC000264513973 383749051 /nfs/dbraw/zinc/74/90/51/383749051.db2.gz YKQSAFQKALKEDU-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OC)CCC1 ZINC000181079192 380735603 /nfs/dbraw/zinc/73/56/03/380735603.db2.gz RXIJGCNDLMYJLS-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO C[C@H]1CCC[C@H](CO)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388014 380786084 /nfs/dbraw/zinc/78/60/84/380786084.db2.gz JTZYVMLCZGPWPZ-GXFFZTMASA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000279199503 194328473 /nfs/dbraw/zinc/32/84/73/194328473.db2.gz XFCRZDQBIBBUDM-ABAIWWIYSA-N 1 0 278.352 2.723 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000353775328 380844936 /nfs/dbraw/zinc/84/49/36/380844936.db2.gz METAGXFWVHLTRP-GFCCVEGCSA-N 1 0 266.341 2.840 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000354077894 381062787 /nfs/dbraw/zinc/06/27/87/381062787.db2.gz JYMOGVAGYCUFKJ-NWDGAFQWSA-N 1 0 282.365 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411949008 381068488 /nfs/dbraw/zinc/06/84/88/381068488.db2.gz QEJOXYJAEJFJAN-IRXDYDNUSA-N 1 0 298.342 2.903 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CO)CC1 ZINC000347365007 381100962 /nfs/dbraw/zinc/10/09/62/381100962.db2.gz SEOUQXRXTZVJPY-LCYFTJDESA-N 1 0 290.363 2.702 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(F)C1 ZINC000347379380 381110534 /nfs/dbraw/zinc/11/05/34/381110534.db2.gz MUDJXEPGOYNSKB-ZDUSSCGKSA-N 1 0 268.288 2.537 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[N@@H+](C)CC1 ZINC000347335557 381077402 /nfs/dbraw/zinc/07/74/02/381077402.db2.gz KLQLBGGFRCKWDC-KAMYIIQDSA-N 1 0 289.379 2.636 20 5 CFBDRO COCCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182695092 381140264 /nfs/dbraw/zinc/14/02/64/381140264.db2.gz LBWTWAIZFUFLBH-GFCCVEGCSA-N 1 0 266.341 2.933 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c(C)s1 ZINC000182744289 381148672 /nfs/dbraw/zinc/14/86/72/381148672.db2.gz RALJPWRGOXDHEW-JTQLQIEISA-N 1 0 294.380 2.820 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC ZINC000295920344 381156567 /nfs/dbraw/zinc/15/65/67/381156567.db2.gz DYYLKXFICNDVNP-JTQLQIEISA-N 1 0 252.314 2.882 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000183061839 381205085 /nfs/dbraw/zinc/20/50/85/381205085.db2.gz NWFOOOJIWHWWQU-NEPJUHHUSA-N 1 0 266.341 2.998 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183065901 381207432 /nfs/dbraw/zinc/20/74/32/381207432.db2.gz ZIHGJAWVTVSHIM-RYUDHWBXSA-N 1 0 293.367 2.948 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359080502 381252043 /nfs/dbraw/zinc/25/20/43/381252043.db2.gz FZTVWIHSQRGDGQ-LBPRGKRZSA-N 1 0 280.372 2.749 20 5 CFBDRO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356324 381259776 /nfs/dbraw/zinc/25/97/76/381259776.db2.gz WXRDTGRDIWZIQZ-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000359105042 381267307 /nfs/dbraw/zinc/26/73/07/381267307.db2.gz WKAUUURMQNXDAC-NEPJUHHUSA-N 1 0 278.356 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@@H](CO)C1 ZINC000342235881 381228165 /nfs/dbraw/zinc/22/81/65/381228165.db2.gz CBBMCAWVXVNXNM-ZIAGYGMSSA-N 1 0 292.379 2.792 20 5 CFBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578655 381234171 /nfs/dbraw/zinc/23/41/71/381234171.db2.gz PLIJUDOINIVFGO-QWHCGFSZSA-N 1 0 294.399 2.938 20 5 CFBDRO CO[C@H](C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000354470868 381292417 /nfs/dbraw/zinc/29/24/17/381292417.db2.gz XIHPJDQHYGHEAW-CYBMUJFWSA-N 1 0 296.367 2.719 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290095686 381297562 /nfs/dbraw/zinc/29/75/62/381297562.db2.gz DJRTVDGOKXXALI-JTQLQIEISA-N 1 0 299.396 2.507 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000290098363 381298405 /nfs/dbraw/zinc/29/84/05/381298405.db2.gz HMWGYDACALBEQM-MRXNPFEDSA-N 1 0 292.379 2.888 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342314705 381273725 /nfs/dbraw/zinc/27/37/25/381273725.db2.gz YMYXFKMMFXIOCV-VXGBXAGGSA-N 1 0 282.315 2.974 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000347711305 381309146 /nfs/dbraw/zinc/30/91/46/381309146.db2.gz WBAAMXUPBJBSTC-BETUJISGSA-N 1 0 291.395 2.818 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000369676597 381312827 /nfs/dbraw/zinc/31/28/27/381312827.db2.gz QTLUMHWEYGSJEK-ZDUSSCGKSA-N 1 0 290.367 2.785 20 5 CFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000354590137 381356203 /nfs/dbraw/zinc/35/62/03/381356203.db2.gz ZRDMEEFGCAUXRC-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2(C[NH+](C)C)CCCC2)n1 ZINC000184068574 381366499 /nfs/dbraw/zinc/36/64/99/381366499.db2.gz KRKGAZMDCJWHJO-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(C3CCCC3)CC2)n1 ZINC000370038556 381370968 /nfs/dbraw/zinc/37/09/68/381370968.db2.gz XADJXYPXOMREQY-UHFFFAOYSA-N 1 0 292.383 2.694 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](CO)CC1 ZINC000354700859 381409114 /nfs/dbraw/zinc/40/91/14/381409114.db2.gz XGPGSXXYESBMHW-ZBKLQPJUSA-N 1 0 290.363 2.702 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](CO)CC1 ZINC000354700854 381409159 /nfs/dbraw/zinc/40/91/59/381409159.db2.gz XGPGSXXYESBMHW-GBXSZLQWSA-N 1 0 290.363 2.702 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290392240 381409423 /nfs/dbraw/zinc/40/94/23/381409423.db2.gz IXHKQDPXHSHAEM-BBRMVZONSA-N 1 0 291.395 2.675 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)CC(C)C ZINC000290643661 381507696 /nfs/dbraw/zinc/50/76/96/381507696.db2.gz YPPSOJJINDTYKG-HNNXBMFYSA-N 1 0 280.368 2.742 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000296641648 381486276 /nfs/dbraw/zinc/48/62/76/381486276.db2.gz CEAPKZAJXIHORP-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)no1 ZINC000290576837 381486406 /nfs/dbraw/zinc/48/64/06/381486406.db2.gz FRJYDAHEBKKTOW-LLVKDONJSA-N 1 0 275.308 2.785 20 5 CFBDRO CC(C)C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000020201769 171065938 /nfs/dbraw/zinc/06/59/38/171065938.db2.gz KFVAPKHCQWUULB-HNNXBMFYSA-N 1 0 279.384 2.661 20 5 CFBDRO COc1cccc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000185146986 381544630 /nfs/dbraw/zinc/54/46/30/381544630.db2.gz OVSCVDVBAXTWNH-UHFFFAOYSA-N 1 0 291.351 2.642 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000290858014 381576133 /nfs/dbraw/zinc/57/61/33/381576133.db2.gz JMXSPTRQGRUSKJ-OAHLLOKOSA-N 1 0 292.379 2.790 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000348435538 381569027 /nfs/dbraw/zinc/56/90/27/381569027.db2.gz BVQNPMVZXYNUQD-CQSZACIVSA-N 1 0 296.367 2.754 20 5 CFBDRO Cc1cc(NCC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000290943076 381606430 /nfs/dbraw/zinc/60/64/30/381606430.db2.gz KZUHDKRZWYCWSD-UHFFFAOYSA-N 1 0 267.304 2.548 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414951790 381643158 /nfs/dbraw/zinc/64/31/58/381643158.db2.gz QDLXUDWBWXOJCF-OCCSQVGLSA-N 1 0 291.395 2.948 20 5 CFBDRO CC(=O)c1ccc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000298496818 381650935 /nfs/dbraw/zinc/65/09/35/381650935.db2.gz ZHRZITQVPLQXPS-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CC[C@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414987177 381681428 /nfs/dbraw/zinc/68/14/28/381681428.db2.gz YKEBOXUPZHBJQM-NSHDSACASA-N 1 0 289.335 2.682 20 5 CFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616603 381683850 /nfs/dbraw/zinc/68/38/50/381683850.db2.gz QTWZJDPDHPYJRR-AAEUAGOBSA-N 1 0 291.351 2.654 20 5 CFBDRO COC1CC([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000348744128 381691473 /nfs/dbraw/zinc/69/14/73/381691473.db2.gz YPHNSTVBBHEOJY-UHFFFAOYSA-N 1 0 264.325 2.512 20 5 CFBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000415044923 381732697 /nfs/dbraw/zinc/73/26/97/381732697.db2.gz CDEIXNHBCLPNSR-CQSZACIVSA-N 1 0 297.786 2.855 20 5 CFBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754293 381736777 /nfs/dbraw/zinc/73/67/77/381736777.db2.gz NQXYOAVPVWNRQG-GXTWGEPZSA-N 1 0 278.352 2.637 20 5 CFBDRO COc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488935 381746273 /nfs/dbraw/zinc/74/62/73/381746273.db2.gz ZIMOUTHSKUKERV-KOLCDFICSA-N 1 0 297.330 2.637 20 5 CFBDRO COCC1=CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185831689 381747777 /nfs/dbraw/zinc/74/77/77/381747777.db2.gz NIBIVCCFBFCOGE-GFCCVEGCSA-N 1 0 276.336 2.934 20 5 CFBDRO CC(C)c1ccc(CN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000348892122 381756826 /nfs/dbraw/zinc/75/68/26/381756826.db2.gz HTUJLPGMJSMHAV-UHFFFAOYSA-N 1 0 279.384 2.712 20 5 CFBDRO CCN(CC)[C@@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355280239 381722358 /nfs/dbraw/zinc/72/23/58/381722358.db2.gz MNRGWDNSTYLZOZ-GDAGCXPBSA-N 1 0 291.395 2.928 20 5 CFBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348907014 381762290 /nfs/dbraw/zinc/76/22/90/381762290.db2.gz VRFGQLVMOLPBRO-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000349035215 381799793 /nfs/dbraw/zinc/79/97/93/381799793.db2.gz HFQYWECWGDAXHA-SOFGYWHQSA-N 1 0 289.379 2.636 20 5 CFBDRO COCC(C)(C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292712281 381818333 /nfs/dbraw/zinc/81/83/33/381818333.db2.gz DINMFIJOQHCIQO-VQHVLOKHSA-N 1 0 278.352 2.965 20 5 CFBDRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343633049 381856242 /nfs/dbraw/zinc/85/62/42/381856242.db2.gz ZCCUEWYDEDCAOI-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO C[NH+](C)CCSCc1c(F)cc([N+](=O)[O-])cc1F ZINC000349236852 381857313 /nfs/dbraw/zinc/85/73/13/381857313.db2.gz YSTHNDHRFYXORO-UHFFFAOYSA-N 1 0 276.308 2.668 20 5 CFBDRO CCC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299384520 381920086 /nfs/dbraw/zinc/92/00/86/381920086.db2.gz PHERZPFGCFCMIP-UHFFFAOYSA-N 1 0 299.758 2.919 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000186617199 381966219 /nfs/dbraw/zinc/96/62/19/381966219.db2.gz JVRMKWKUPFYUPK-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292982407 381933282 /nfs/dbraw/zinc/93/32/82/381933282.db2.gz LIFVMWCWMHBKDT-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)O ZINC000292992036 381938819 /nfs/dbraw/zinc/93/88/19/381938819.db2.gz MIZLGCILLCBHQZ-LBPRGKRZSA-N 1 0 286.759 2.887 20 5 CFBDRO CCC[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299439432 381942138 /nfs/dbraw/zinc/94/21/38/381942138.db2.gz SDANBZKPNBSFFX-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186780217 382010957 /nfs/dbraw/zinc/01/09/57/382010957.db2.gz MPOLNQUIPRLERK-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](O)CC1 ZINC000293167189 382014667 /nfs/dbraw/zinc/01/46/67/382014667.db2.gz PAKQESARJIMEAJ-LBPRGKRZSA-N 1 0 284.743 2.595 20 5 CFBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000293102266 381990556 /nfs/dbraw/zinc/99/05/56/381990556.db2.gz QHKURYFIPBKAGM-CQSZACIVSA-N 1 0 296.342 2.621 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293235752 382042144 /nfs/dbraw/zinc/04/21/44/382042144.db2.gz AYOBVYONJJLHRW-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186951751 382054657 /nfs/dbraw/zinc/05/46/57/382054657.db2.gz OBCJZTVPSCYNRQ-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000343995765 382055787 /nfs/dbraw/zinc/05/57/87/382055787.db2.gz ZVJHYKAJVACQMX-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000300420238 382064381 /nfs/dbraw/zinc/06/43/81/382064381.db2.gz AHQKVFVJXOFFIB-NEPJUHHUSA-N 1 0 263.341 2.798 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000343930210 382026730 /nfs/dbraw/zinc/02/67/30/382026730.db2.gz RQADKDWYDFETMM-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000417317414 382038603 /nfs/dbraw/zinc/03/86/03/382038603.db2.gz WPWRMPUDDBTMQK-WBMJQRKESA-N 1 0 291.395 2.902 20 5 CFBDRO CCCCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299732914 382040282 /nfs/dbraw/zinc/04/02/82/382040282.db2.gz YBQMCJJMDDDTTK-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000301073624 382073689 /nfs/dbraw/zinc/07/36/89/382073689.db2.gz FPOQGMOQUIQMTN-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000301123771 382086250 /nfs/dbraw/zinc/08/62/50/382086250.db2.gz ZXPJQWHVFCUUJI-XQQFMLRXSA-N 1 0 292.383 2.768 20 5 CFBDRO CC[N@H+](CCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000301147748 382092624 /nfs/dbraw/zinc/09/26/24/382092624.db2.gz BRCUXUVTOYSUAM-UHFFFAOYSA-N 1 0 251.330 2.737 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000301186420 382101557 /nfs/dbraw/zinc/10/15/57/382101557.db2.gz KFUHYEAAYUHZFG-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[NH+]1CCC(N(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000301292269 382140888 /nfs/dbraw/zinc/14/08/88/382140888.db2.gz UJKYWXGLVWYSCP-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000301309770 382145718 /nfs/dbraw/zinc/14/57/18/382145718.db2.gz YBZIYIGWCDIPSA-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO C[NH+](C)C1(CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000419009062 382215610 /nfs/dbraw/zinc/21/56/10/382215610.db2.gz MOYOVKXNRRGEAF-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377234800 382237720 /nfs/dbraw/zinc/23/77/20/382237720.db2.gz XNYUBXOZKIRJSU-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO CCC(CC)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335108 382309154 /nfs/dbraw/zinc/30/91/54/382309154.db2.gz HVSJYGJWFSZMOF-ZDUSSCGKSA-N 1 0 280.372 2.864 20 5 CFBDRO C[C@@H]1[C@H]([NH3+])CCN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420243194 382336823 /nfs/dbraw/zinc/33/68/23/382336823.db2.gz CIGOEHGFLWYBIV-HZGVNTEJSA-N 1 0 290.150 2.828 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420290282 382343268 /nfs/dbraw/zinc/34/32/68/382343268.db2.gz LTIODRIFJPECIV-HUBLWGQQSA-N 1 0 277.368 2.633 20 5 CFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419353596 382295245 /nfs/dbraw/zinc/29/52/45/382295245.db2.gz LLXLUMGIHCZXSE-OUAUKWLOSA-N 1 0 288.351 2.947 20 5 CFBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000346419866 382355226 /nfs/dbraw/zinc/35/52/26/382355226.db2.gz UYUPOQLOBMCXPJ-UHFFFAOYSA-N 1 0 286.763 2.787 20 5 CFBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000304075968 382375309 /nfs/dbraw/zinc/37/53/09/382375309.db2.gz XACUPUCCLFYJJW-IUODEOHRSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000304092517 382375435 /nfs/dbraw/zinc/37/54/35/382375435.db2.gz CKXBJTMUZNXMOM-VXGBXAGGSA-N 1 0 284.381 2.782 20 5 CFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000294132252 382427356 /nfs/dbraw/zinc/42/73/56/382427356.db2.gz FPZYPOQGTMPLRG-RISCZKNCSA-N 1 0 266.341 2.746 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000305144959 382428035 /nfs/dbraw/zinc/42/80/35/382428035.db2.gz RKNVQYFPLDKRBE-CZUORRHYSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294104502 382416823 /nfs/dbraw/zinc/41/68/23/382416823.db2.gz JQCRSHWBVBJNIS-ZETCQYMHSA-N 1 0 271.267 2.625 20 5 CFBDRO CC(C)(C)OCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621123 382421006 /nfs/dbraw/zinc/42/10/06/382421006.db2.gz MAOYJGBJNIJRRL-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO CC(C)SCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620102 382421039 /nfs/dbraw/zinc/42/10/39/382421039.db2.gz AHUDUZWHAAWERN-UHFFFAOYSA-N 1 0 296.392 2.931 20 5 CFBDRO Cc1c(CNC(=[NH2+])N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000358097978 382452086 /nfs/dbraw/zinc/45/20/86/382452086.db2.gz OWNWQRKJLRGDCN-UHFFFAOYSA-N 1 0 290.367 2.659 20 5 CFBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000346669822 382463938 /nfs/dbraw/zinc/46/39/38/382463938.db2.gz IZBWPOBOTXPHDH-CQSZACIVSA-N 1 0 291.395 2.902 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308400433 382475529 /nfs/dbraw/zinc/47/55/29/382475529.db2.gz WDRJWKCEIXTSLI-KGLIPLIRSA-N 1 0 276.336 2.642 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000358217713 382509602 /nfs/dbraw/zinc/50/96/02/382509602.db2.gz CUSAGABPSRTVNB-VXGBXAGGSA-N 1 0 296.392 2.844 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000343955241 220279400 /nfs/dbraw/zinc/27/94/00/220279400.db2.gz KUZLPHZEVGJRAB-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO COc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000383527853 382544537 /nfs/dbraw/zinc/54/45/37/382544537.db2.gz MFIYDJQYTBHCIW-UHFFFAOYSA-N 1 0 286.278 2.738 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)O1 ZINC000294949816 382546246 /nfs/dbraw/zinc/54/62/46/382546246.db2.gz CCBNPSXRDLXEHW-ZDMBXUJBSA-N 1 0 284.743 2.904 20 5 CFBDRO CS[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294966845 382557228 /nfs/dbraw/zinc/55/72/28/382557228.db2.gz FJQUMGKDELEGOS-LBPRGKRZSA-N 1 0 266.366 2.841 20 5 CFBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC000295205210 382583784 /nfs/dbraw/zinc/58/37/84/382583784.db2.gz TXDVFEJQODAEOG-SECBINFHSA-N 1 0 286.759 2.839 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189293681 382584477 /nfs/dbraw/zinc/58/44/77/382584477.db2.gz KQDLEPQEQQLXAH-NFAWXSAZSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000358356719 382585442 /nfs/dbraw/zinc/58/54/42/382585442.db2.gz PLXDEGIXHXBDRH-DZGCQCFKSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000358360079 382586640 /nfs/dbraw/zinc/58/66/40/382586640.db2.gz VGLJMAHMTBUYMN-KBPBESRZSA-N 1 0 294.395 2.914 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000386353957 382587974 /nfs/dbraw/zinc/58/79/74/382587974.db2.gz NGGWBCFLENGVGW-INIZCTEOSA-N 1 0 292.379 2.668 20 5 CFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000387554181 382600139 /nfs/dbraw/zinc/60/01/39/382600139.db2.gz VFMHTGJICILGJQ-GFCCVEGCSA-N 1 0 279.340 2.558 20 5 CFBDRO C[N@H+](CCc1cscn1)CCc1cccc([N+](=O)[O-])c1 ZINC000295325089 382617829 /nfs/dbraw/zinc/61/78/29/382617829.db2.gz LZXRPBQARSAFNK-UHFFFAOYSA-N 1 0 291.376 2.768 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190211181 382657108 /nfs/dbraw/zinc/65/71/08/382657108.db2.gz UOXPRZJEHVHHID-INIZCTEOSA-N 1 0 292.379 2.888 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000192933740 382713734 /nfs/dbraw/zinc/71/37/34/382713734.db2.gz AXGHWEMXUWNKCN-CYBMUJFWSA-N 1 0 280.368 2.668 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)CCC2 ZINC000193348997 382718932 /nfs/dbraw/zinc/71/89/32/382718932.db2.gz MHWNTRDQYGPUCJ-PJODQICGSA-N 1 0 290.363 2.723 20 5 CFBDRO CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337214041 382779130 /nfs/dbraw/zinc/77/91/30/382779130.db2.gz DSANNPAJPZGLPM-DGCLKSJQSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337254892 382786992 /nfs/dbraw/zinc/78/69/92/382786992.db2.gz RDOSYHWPODTROA-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000222535810 382802442 /nfs/dbraw/zinc/80/24/42/382802442.db2.gz DZNZYAGXSFWCKH-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@H]21 ZINC000227071320 382832574 /nfs/dbraw/zinc/83/25/74/382832574.db2.gz KWOKUGMEWMGSFB-RRFJBIMHSA-N 1 0 290.363 2.540 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000227380153 382836596 /nfs/dbraw/zinc/83/65/96/382836596.db2.gz CUULYMQIIRZWIM-GOEBONIOSA-N 1 0 290.363 2.722 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227647941 382838888 /nfs/dbraw/zinc/83/88/88/382838888.db2.gz BSSJUFFHCMFNJT-UHFFFAOYSA-N 1 0 286.763 2.643 20 5 CFBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000227649098 382838949 /nfs/dbraw/zinc/83/89/49/382838949.db2.gz ZRWPPYMFMGTGIA-UHFFFAOYSA-N 1 0 298.774 2.931 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@H]1C ZINC000578252908 382905241 /nfs/dbraw/zinc/90/52/41/382905241.db2.gz VBXYLHFUGQJUSH-JTNHKYCSSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000230147718 382856352 /nfs/dbraw/zinc/85/63/52/382856352.db2.gz UFLDGQQJUACQOE-MWLCHTKSSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000230379248 382861102 /nfs/dbraw/zinc/86/11/02/382861102.db2.gz UHMRLTJMNOVZQG-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000230694686 382862480 /nfs/dbraw/zinc/86/24/80/382862480.db2.gz HTFKFDGNYMDBJD-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230891863 382863310 /nfs/dbraw/zinc/86/33/10/382863310.db2.gz FBOJEAABVUFUDP-JTQLQIEISA-N 1 0 272.370 2.543 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)CC2CCCC2)c1 ZINC000337802805 382866905 /nfs/dbraw/zinc/86/69/05/382866905.db2.gz JFZJPYRONJNKHW-AWEZNQCLSA-N 1 0 278.352 2.626 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025690 382884468 /nfs/dbraw/zinc/88/44/68/382884468.db2.gz AQENYZMILNCEQX-KGLIPLIRSA-N 1 0 278.352 2.579 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCCC1 ZINC000578205441 382900474 /nfs/dbraw/zinc/90/04/74/382900474.db2.gz QJUNFRREXGAKJQ-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000338011166 382901022 /nfs/dbraw/zinc/90/10/22/382901022.db2.gz HKGADBPNRNZNDB-LBPRGKRZSA-N 1 0 288.351 2.841 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447554343 382997264 /nfs/dbraw/zinc/99/72/64/382997264.db2.gz ZZOKSKSVFAXSQR-FVCCEPFGSA-N 1 0 278.356 2.521 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245519620 383004396 /nfs/dbraw/zinc/00/43/96/383004396.db2.gz ITSFGMBYRQLMPD-DZGCQCFKSA-N 1 0 291.395 2.990 20 5 CFBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000338474940 383018369 /nfs/dbraw/zinc/01/83/69/383018369.db2.gz MSXBHZZXBAAHJA-NSHDSACASA-N 1 0 270.329 2.718 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549848772 383015383 /nfs/dbraw/zinc/01/53/83/383015383.db2.gz PBQXPCFCMGCWCP-LBPRGKRZSA-N 1 0 286.278 2.717 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443065925 382965394 /nfs/dbraw/zinc/96/53/94/382965394.db2.gz GWPPWVJVOLKEQS-OCCSQVGLSA-N 1 0 278.352 2.903 20 5 CFBDRO Cc1cccc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000338705251 383028383 /nfs/dbraw/zinc/02/83/83/383028383.db2.gz FZCVEPQTHXYXRG-AWEZNQCLSA-N 1 0 277.368 2.680 20 5 CFBDRO CCC[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000501062837 383137729 /nfs/dbraw/zinc/13/77/29/383137729.db2.gz DSYWKCDDZSSNTA-ZDUSSCGKSA-N 1 0 277.368 2.905 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247505186 383179474 /nfs/dbraw/zinc/17/94/74/383179474.db2.gz IUMPPIJZUSZIGG-VXGBXAGGSA-N 1 0 293.367 2.900 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000449262261 383188391 /nfs/dbraw/zinc/18/83/91/383188391.db2.gz HAGOXUPBNMZBNM-UMVBOHGHSA-N 1 0 292.379 2.667 20 5 CFBDRO CCOC(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449264405 383189919 /nfs/dbraw/zinc/18/99/19/383189919.db2.gz MFWRIYTWWKSLIG-GFCCVEGCSA-N 1 0 280.368 2.931 20 5 CFBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000339471607 383209480 /nfs/dbraw/zinc/20/94/80/383209480.db2.gz XGECKZBVLPCXNN-HNNXBMFYSA-N 1 0 296.342 2.765 20 5 CFBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449377221 383247601 /nfs/dbraw/zinc/24/76/01/383247601.db2.gz RZMUJAKIWUNVQZ-ZDUSSCGKSA-N 1 0 280.368 2.921 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000248607085 383269651 /nfs/dbraw/zinc/26/96/51/383269651.db2.gz DCXFHYSTMITCLV-UWVGGRQHSA-N 1 0 282.315 2.973 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449343074 383229288 /nfs/dbraw/zinc/22/92/88/383229288.db2.gz HMWMVTAGDDHZEB-MNOVXSKESA-N 1 0 254.305 2.864 20 5 CFBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000449347270 383230008 /nfs/dbraw/zinc/23/00/08/383230008.db2.gz QFKJFQLLLLVBPU-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000520947953 383279847 /nfs/dbraw/zinc/27/98/47/383279847.db2.gz HNAMUIQQSJWWFH-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000339541828 383238258 /nfs/dbraw/zinc/23/82/58/383238258.db2.gz VIFGNYLVFBWIFE-LEJCZOIISA-N 1 0 278.352 2.747 20 5 CFBDRO C[C@@H](CCO)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449360299 383238332 /nfs/dbraw/zinc/23/83/32/383238332.db2.gz SOFZHKPPOBHANP-RYWCDNDXSA-N 1 0 278.352 2.606 20 5 CFBDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449492059 383330026 /nfs/dbraw/zinc/33/00/26/383330026.db2.gz BDZCITVGLOLTFV-TZDXQJPWSA-N 1 0 290.363 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000449502394 383339397 /nfs/dbraw/zinc/33/93/97/383339397.db2.gz RPISLRUQEYBISS-CYBMUJFWSA-N 1 0 286.335 2.698 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449503361 383340643 /nfs/dbraw/zinc/34/06/43/383340643.db2.gz PLAHQNNGNVLIDH-YGRLFVJLSA-N 1 0 282.315 2.591 20 5 CFBDRO Cc1c(CN2CC3CCC2(C[NH3+])CC3)cccc1[N+](=O)[O-] ZINC000567521052 383285152 /nfs/dbraw/zinc/28/51/52/383285152.db2.gz NXOOQLKAJITMPL-UHFFFAOYSA-N 1 0 289.379 2.607 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249454087 383346846 /nfs/dbraw/zinc/34/68/46/383346846.db2.gz DBBKESAONOLNEM-CXDTVBGCSA-N 1 0 288.347 2.765 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1 ZINC000449467430 383311019 /nfs/dbraw/zinc/31/10/19/383311019.db2.gz JBBFWKPOJJWCMU-YNEHKIRRSA-N 1 0 296.392 2.782 20 5 CFBDRO Cc1ccc(C[NH2+]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000449487606 383325915 /nfs/dbraw/zinc/32/59/15/383325915.db2.gz ZMUPMYAHKXTSGT-UHFFFAOYSA-N 1 0 296.342 2.759 20 5 CFBDRO Cc1cccnc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449489173 383326941 /nfs/dbraw/zinc/32/69/41/383326941.db2.gz OUKNFAKIJUSCMX-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000340246056 383390329 /nfs/dbraw/zinc/39/03/29/383390329.db2.gz HIULYHJRAQAPNG-WFASDCNBSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340277715 383400640 /nfs/dbraw/zinc/40/06/40/383400640.db2.gz MWIQVEPGLPHMIK-FZMZJTMJSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H](CO)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000340104020 383355447 /nfs/dbraw/zinc/35/54/47/383355447.db2.gz IBNODMSLCQYOOU-OQHXTRMZSA-N 1 0 278.352 2.606 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000468637266 383362029 /nfs/dbraw/zinc/36/20/29/383362029.db2.gz FKFVNNUZLLJQTB-NIJNDFHKSA-N 1 0 288.347 2.908 20 5 CFBDRO Cc1c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882375 383382177 /nfs/dbraw/zinc/38/21/77/383382177.db2.gz CBWVAYOWGNJQNL-GJZGRUSLSA-N 1 0 289.379 2.620 20 5 CFBDRO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251312628 383387055 /nfs/dbraw/zinc/38/70/55/383387055.db2.gz KJTLKXGJKUQJKC-OCCSQVGLSA-N 1 0 279.384 2.961 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000429567696 383546968 /nfs/dbraw/zinc/54/69/68/383546968.db2.gz YALJLKJSVUSUHJ-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000429549612 383541964 /nfs/dbraw/zinc/54/19/64/383541964.db2.gz PGDVKSPHBWZDJS-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341135766 383578787 /nfs/dbraw/zinc/57/87/87/383578787.db2.gz YUCPZPGFVBIDRN-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@](O)(C2CC2)C1 ZINC000489247347 383601485 /nfs/dbraw/zinc/60/14/85/383601485.db2.gz FSYPMPLWJRAOLW-AWEZNQCLSA-N 1 0 296.754 2.595 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488596138 383564546 /nfs/dbraw/zinc/56/45/46/383564546.db2.gz YJWOPUKCCVHZHB-MRXNPFEDSA-N 1 0 291.395 2.675 20 5 CFBDRO CCC[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551326 383643550 /nfs/dbraw/zinc/64/35/50/383643550.db2.gz UHBQVZHGIOHAAQ-HOCLYGCPSA-N 1 0 292.379 2.935 20 5 CFBDRO COc1ccc(C[N@H+](C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000489422691 383618114 /nfs/dbraw/zinc/61/81/14/383618114.db2.gz GLFGNWDJBYMTTQ-CYBMUJFWSA-N 1 0 264.325 2.834 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1cncs1)C2 ZINC000570611821 383618420 /nfs/dbraw/zinc/61/84/20/383618420.db2.gz UTNBDLSFXMGUAX-UHFFFAOYSA-N 1 0 289.360 2.652 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000451460723 383621173 /nfs/dbraw/zinc/62/11/73/383621173.db2.gz JULILUVRNWTVCK-OWYVNGRQSA-N 1 0 294.326 2.637 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489496470 383624982 /nfs/dbraw/zinc/62/49/82/383624982.db2.gz FDKFTYIHSBDRTR-CYBMUJFWSA-N 1 0 264.325 2.834 20 5 CFBDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000264550999 383754482 /nfs/dbraw/zinc/75/44/82/383754482.db2.gz ZLBBNEXOURNAKS-CQSZACIVSA-N 1 0 299.330 2.863 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984321 383853353 /nfs/dbraw/zinc/85/33/53/383853353.db2.gz AACBSSRXJKMNJC-BXUZGUMPSA-N 1 0 277.368 2.512 20 5 CFBDRO O=[N+]([O-])c1cnc(NCC23CCC[NH+]2CCC3)c(Cl)c1 ZINC000281004233 195065684 /nfs/dbraw/zinc/06/56/84/195065684.db2.gz PZJVTILBTUCDFT-UHFFFAOYSA-N 1 0 296.758 2.684 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000573185493 383885995 /nfs/dbraw/zinc/88/59/95/383885995.db2.gz LACJZHHFIYNBAJ-JTQLQIEISA-N 1 0 294.330 2.558 20 5 CFBDRO COC(C)(C)CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000531575313 383890757 /nfs/dbraw/zinc/89/07/57/383890757.db2.gz KQZGBBYSAYAHAY-UHFFFAOYSA-N 1 0 258.343 2.513 20 5 CFBDRO CN(C)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000438342429 383986584 /nfs/dbraw/zinc/98/65/84/383986584.db2.gz XMWXEUMWHUHAKB-YVMONPNESA-N 1 0 289.379 2.682 20 5 CFBDRO Cc1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438353371 383988813 /nfs/dbraw/zinc/98/88/13/383988813.db2.gz DLLASZCSLXQUHI-YNEHKIRRSA-N 1 0 278.352 2.901 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O ZINC000531977072 383951728 /nfs/dbraw/zinc/95/17/28/383951728.db2.gz LPOTVTSFNAFNKA-DRZSPHRISA-N 1 0 280.368 2.961 20 5 CFBDRO CCc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000532375836 384018310 /nfs/dbraw/zinc/01/83/10/384018310.db2.gz GKHZVMAJEVJLJF-UHFFFAOYSA-N 1 0 290.319 2.919 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000265877614 384021448 /nfs/dbraw/zinc/02/14/48/384021448.db2.gz NQTBADHOHUSYKA-CQSZACIVSA-N 1 0 292.360 2.654 20 5 CFBDRO CC(C)OC(=O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266433817 384173948 /nfs/dbraw/zinc/17/39/48/384173948.db2.gz DSVUTSGCNPDEQT-LLVKDONJSA-N 1 0 280.324 2.587 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000266522460 384191142 /nfs/dbraw/zinc/19/11/42/384191142.db2.gz JEFVUDIAYCORHP-ZDUSSCGKSA-N 1 0 289.379 2.826 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](C)O)CC1 ZINC000266539845 384195351 /nfs/dbraw/zinc/19/53/51/384195351.db2.gz PMXFMXNXAGPLID-NEPJUHHUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000277270206 384251026 /nfs/dbraw/zinc/25/10/26/384251026.db2.gz XVAZBOOGDLLZND-SNVBAGLBSA-N 1 0 298.774 2.564 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000266906472 384259630 /nfs/dbraw/zinc/25/96/30/384259630.db2.gz HXTGQSIXARGOST-ZDUSSCGKSA-N 1 0 286.335 2.698 20 5 CFBDRO Cc1ccccc1[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267106670 384300885 /nfs/dbraw/zinc/30/08/85/384300885.db2.gz WIMGLBPVWYDJLY-ZDUSSCGKSA-N 1 0 288.351 2.793 20 5 CFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000267313960 384356714 /nfs/dbraw/zinc/35/67/14/384356714.db2.gz XUYQHWLEFNEOMA-UHFFFAOYSA-N 1 0 294.351 2.806 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595978 384421546 /nfs/dbraw/zinc/42/15/46/384421546.db2.gz ITGPJADYHKFQEC-GWCFXTLKSA-N 1 0 281.331 2.510 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267719704 384451520 /nfs/dbraw/zinc/45/15/20/384451520.db2.gz AHSXJHLWNRSXTN-IJLUTSLNSA-N 1 0 291.351 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCCC2)c(Cl)c1 ZINC000289409252 197332857 /nfs/dbraw/zinc/33/28/57/197332857.db2.gz AXFAGFZIFGLZJX-AWEZNQCLSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000268224990 384571883 /nfs/dbraw/zinc/57/18/83/384571883.db2.gz KPZJQYARDCMDRK-ZDUSSCGKSA-N 1 0 292.383 2.688 20 5 CFBDRO Cc1cnc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000268294569 384593618 /nfs/dbraw/zinc/59/36/18/384593618.db2.gz ZJINQNJFXDSYPO-ZDUSSCGKSA-N 1 0 292.383 2.688 20 5 CFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000301382602 285133779 /nfs/dbraw/zinc/13/37/79/285133779.db2.gz ZKSKQERTIBLIJJ-APHBMKBZSA-N 1 0 287.363 2.515 20 5 CFBDRO CCC[C@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269692305 384837581 /nfs/dbraw/zinc/83/75/81/384837581.db2.gz VLDAXMGDYBQWKZ-SMDDNHRTSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269664860 384825417 /nfs/dbraw/zinc/82/54/17/384825417.db2.gz RLSHROXPXKUTIN-JMSVASOKSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269690432 384837865 /nfs/dbraw/zinc/83/78/65/384837865.db2.gz UTVIVWLGJCXHMN-OAHLLOKOSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCCO)CCC2 ZINC000280193779 384924264 /nfs/dbraw/zinc/92/42/64/384924264.db2.gz VAHHPBYNASDYKW-HNNXBMFYSA-N 1 0 278.352 2.724 20 5 CFBDRO CC1=CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270398726 385087030 /nfs/dbraw/zinc/08/70/30/385087030.db2.gz ZESJKMFTXRXNPC-UHFFFAOYSA-N 1 0 289.335 2.575 20 5 CFBDRO CC1=CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000280781596 385150900 /nfs/dbraw/zinc/15/09/00/385150900.db2.gz IJGRSTDDKRQULR-UHFFFAOYSA-N 1 0 290.319 2.613 20 5 CFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282109616 385214219 /nfs/dbraw/zinc/21/42/19/385214219.db2.gz IZBSAJGAAKGZQX-JSGCOSHPSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227902130 285156513 /nfs/dbraw/zinc/15/65/13/285156513.db2.gz DSCCFAYQKVYXSL-RYUDHWBXSA-N 1 0 279.315 2.773 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000282402658 385302506 /nfs/dbraw/zinc/30/25/06/385302506.db2.gz HUNMEGSDRYTDAW-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353743796 285159861 /nfs/dbraw/zinc/15/98/61/285159861.db2.gz CWTGNXOGNAYFCQ-INIZCTEOSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])nn1C ZINC000282341893 385286918 /nfs/dbraw/zinc/28/69/18/385286918.db2.gz VIXNQLSWZNEQAZ-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000271122877 385342213 /nfs/dbraw/zinc/34/22/13/385342213.db2.gz JTUVFJXTHCUCKV-VXGBXAGGSA-N 1 0 295.383 2.594 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000282635913 385358934 /nfs/dbraw/zinc/35/89/34/385358934.db2.gz BGFUAACSUDVTBP-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283279860 385452354 /nfs/dbraw/zinc/45/23/54/385452354.db2.gz XDQJDKYGCWXYLE-UHFFFAOYSA-N 1 0 284.331 2.718 20 5 CFBDRO CC(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272470400 385545903 /nfs/dbraw/zinc/54/59/03/385545903.db2.gz AFNXLGJCFGUFPG-AWEZNQCLSA-N 1 0 288.351 2.663 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CO)CC1 ZINC000272370093 385521360 /nfs/dbraw/zinc/52/13/60/385521360.db2.gz UGLVNGOILWGPTJ-GFCCVEGCSA-N 1 0 278.352 2.669 20 5 CFBDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284055207 385528547 /nfs/dbraw/zinc/52/85/47/385528547.db2.gz KLJKIJRLCYKMHN-NSHDSACASA-N 1 0 281.356 2.643 20 5 CFBDRO C[C@H](CCCCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000272560702 385564930 /nfs/dbraw/zinc/56/49/30/385564930.db2.gz DWRXPSKVOOKSHQ-SNVBAGLBSA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1CCCCC1)CC2 ZINC000408151218 285184079 /nfs/dbraw/zinc/18/40/79/285184079.db2.gz ZXQXABNSVMSLAX-UHFFFAOYSA-N 1 0 275.352 2.928 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287192841 385800141 /nfs/dbraw/zinc/80/01/41/385800141.db2.gz HSGHJVHDIYDIBA-ZDUSSCGKSA-N 1 0 292.383 2.853 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2COc3ccccc32)cs1 ZINC000288587407 197120580 /nfs/dbraw/zinc/12/05/80/197120580.db2.gz OHVUTRGNRBGOMO-LLVKDONJSA-N 1 0 290.344 2.922 20 5 CFBDRO CC(C)(CNCc1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276611444 385992484 /nfs/dbraw/zinc/99/24/84/385992484.db2.gz FNQJALPMBFVPJX-UHFFFAOYSA-N 1 0 297.424 2.868 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1OC ZINC000275289501 385972132 /nfs/dbraw/zinc/97/21/32/385972132.db2.gz XUPXZZCILKWERM-DZGCQCFKSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000276857561 386060531 /nfs/dbraw/zinc/06/05/31/386060531.db2.gz JWWFNNNNPAVXPS-JTQLQIEISA-N 1 0 284.356 2.919 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288283395 197043553 /nfs/dbraw/zinc/04/35/53/197043553.db2.gz HIQSCWYDUFPJCD-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878383 130104231 /nfs/dbraw/zinc/10/42/31/130104231.db2.gz RSCSXPASFBMBSI-TYNCELHUSA-N 1 0 289.379 2.728 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191639163 130267964 /nfs/dbraw/zinc/26/79/64/130267964.db2.gz PDBXFXBTFQKKLO-TUAOUCFPSA-N 1 0 266.341 2.977 20 5 CFBDRO Cc1ccnc(N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000355566844 130314829 /nfs/dbraw/zinc/31/48/29/130314829.db2.gz OOBXQMDBPUZCBO-UHFFFAOYSA-N 1 0 294.399 2.853 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000219919357 130777363 /nfs/dbraw/zinc/77/73/63/130777363.db2.gz WIFBGZJWWRZPFV-SKDRFNHKSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000228555757 130868782 /nfs/dbraw/zinc/86/87/82/130868782.db2.gz BCCJYDJPDQTCJQ-GHMZBOCLSA-N 1 0 266.366 2.999 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(O)CCCCC1 ZINC000238133122 131077795 /nfs/dbraw/zinc/07/77/95/131077795.db2.gz PSOGNWUGOVXZOE-SOFGYWHQSA-N 1 0 290.363 2.893 20 5 CFBDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263688918 131309909 /nfs/dbraw/zinc/30/99/09/131309909.db2.gz OKEPPIJJBKKVLO-CYBMUJFWSA-N 1 0 299.330 2.863 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267307184 131851800 /nfs/dbraw/zinc/85/18/00/131851800.db2.gz WGPSQWXKYZOIPJ-TZMCWYRMSA-N 1 0 263.341 2.880 20 5 CFBDRO Cc1nc(N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268427725 132008069 /nfs/dbraw/zinc/00/80/69/132008069.db2.gz AQFCWIWMHDEDLB-UHFFFAOYSA-N 1 0 292.383 2.607 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000268873249 132081200 /nfs/dbraw/zinc/08/12/00/132081200.db2.gz VXQDQGAFWSDPTA-CHWSQXEVSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000268946434 132092345 /nfs/dbraw/zinc/09/23/45/132092345.db2.gz QSQLIGLEYHWPSG-ZYHUDNBSSA-N 1 0 266.341 2.572 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000268996985 132098386 /nfs/dbraw/zinc/09/83/86/132098386.db2.gz IDGYOAXZVHRORX-JQWIXIFHSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182347994 393509184 /nfs/dbraw/zinc/50/91/84/393509184.db2.gz ZDWUMFDHFQZGEJ-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191812290 393606601 /nfs/dbraw/zinc/60/66/01/393606601.db2.gz BDDWBIUCZQDMJH-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411178456 393681191 /nfs/dbraw/zinc/68/11/91/393681191.db2.gz YBDNXQSILODAIM-UHFFFAOYSA-N 1 0 291.351 2.796 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]Cc3ccccc32)c1 ZINC000062818119 393628276 /nfs/dbraw/zinc/62/82/76/393628276.db2.gz KIPDGVYWQMYSDV-UHFFFAOYSA-N 1 0 283.331 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccccn1)CC2 ZINC000088605531 393763817 /nfs/dbraw/zinc/76/38/17/393763817.db2.gz NRMRPCVBXWAFPM-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000424337866 393834998 /nfs/dbraw/zinc/83/49/98/393834998.db2.gz SLKWCAHVEXCSOE-LERXQTSPSA-N 1 0 263.341 2.515 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227504993 393772656 /nfs/dbraw/zinc/77/26/56/393772656.db2.gz FYKBLZCXLDYSTE-JSGCOSHPSA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229059026 393776870 /nfs/dbraw/zinc/77/68/70/393776870.db2.gz KCKPRPLUDBIBDB-BZPMIXESSA-N 1 0 277.368 2.573 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCCCC2)c(F)c1 ZINC000090557851 393779098 /nfs/dbraw/zinc/77/90/98/393779098.db2.gz OKHSAROMTJICQJ-UHFFFAOYSA-N 1 0 268.288 2.599 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)nc1 ZINC000245451379 393805357 /nfs/dbraw/zinc/80/53/57/393805357.db2.gz PLKZYKBZVZVKSA-QWHCGFSZSA-N 1 0 288.351 2.585 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424309395 393821528 /nfs/dbraw/zinc/82/15/28/393821528.db2.gz AOJQNJFMRNRXFK-MGPQQGTHSA-N 1 0 264.325 2.549 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111049255 393884349 /nfs/dbraw/zinc/88/43/49/393884349.db2.gz NVSWPXUTPCTBJB-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000470175826 393898692 /nfs/dbraw/zinc/89/86/92/393898692.db2.gz SQHVQZYOUBWYEB-SOKLDJIMSA-N 1 0 290.363 2.701 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N(C)C ZINC000344820792 393904058 /nfs/dbraw/zinc/90/40/58/393904058.db2.gz HQLVUZGPRYDOAC-FSBNRTBOSA-N 1 0 277.368 2.538 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cocn2)cc1 ZINC000428852198 393918287 /nfs/dbraw/zinc/91/82/87/393918287.db2.gz VHXKFUYRGAIIQX-UHFFFAOYSA-N 1 0 275.308 2.695 20 5 CFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1C ZINC000120155677 393930727 /nfs/dbraw/zinc/93/07/27/393930727.db2.gz HRVBVIWEYASMOV-GXTWGEPZSA-N 1 0 280.372 2.692 20 5 CFBDRO C[NH+](C)CCCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000346698914 393932256 /nfs/dbraw/zinc/93/22/56/393932256.db2.gz BJUNRQWZSKYNJJ-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000347075979 393936771 /nfs/dbraw/zinc/93/67/71/393936771.db2.gz UVPKCFKPIKKLGC-IUODEOHRSA-N 1 0 277.368 2.605 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000122047589 393964320 /nfs/dbraw/zinc/96/43/20/393964320.db2.gz CSKHGQYAWGEQIY-LBPRGKRZSA-N 1 0 252.339 2.580 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C ZINC000430200810 393966932 /nfs/dbraw/zinc/96/69/32/393966932.db2.gz HZKJOMNNONAGBJ-LLVKDONJSA-N 1 0 264.325 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000430228643 393970636 /nfs/dbraw/zinc/97/06/36/393970636.db2.gz DLINCKCQOWBNMJ-LLVKDONJSA-N 1 0 296.392 2.788 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000430245331 393972254 /nfs/dbraw/zinc/97/22/54/393972254.db2.gz RUVFIEMOOFHFKL-CYBMUJFWSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123783736 393987185 /nfs/dbraw/zinc/98/71/85/393987185.db2.gz GLYZMCGFTYGFDK-BBRMVZONSA-N 1 0 292.379 2.763 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C/c1ccncc1 ZINC000487293364 393995418 /nfs/dbraw/zinc/99/54/18/393995418.db2.gz ZTHQQWQNHREVLJ-NSCUHMNNSA-N 1 0 299.330 2.801 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCC[NH3+] ZINC000420232911 394101555 /nfs/dbraw/zinc/10/15/55/394101555.db2.gz MHFPVGUOEYNRDY-UHFFFAOYSA-N 1 0 257.721 2.707 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@H]2CCOC2)C2CC2)cc1 ZINC000437582926 394060621 /nfs/dbraw/zinc/06/06/21/394060621.db2.gz ZBGMCSSZZXOURF-AWEZNQCLSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000286012931 394179443 /nfs/dbraw/zinc/17/94/43/394179443.db2.gz FDNGOYJIIMUGCQ-RYUDHWBXSA-N 1 0 292.383 2.709 20 5 CFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cn1 ZINC000420274143 394113104 /nfs/dbraw/zinc/11/31/04/394113104.db2.gz JPHIPQRFROBCLO-CQSZACIVSA-N 1 0 286.335 2.664 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420276376 394113611 /nfs/dbraw/zinc/11/36/11/394113611.db2.gz HIPZSDVFOFUUIQ-VHSXEESVSA-N 1 0 267.304 2.663 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCCO1 ZINC000439471964 394117453 /nfs/dbraw/zinc/11/74/53/394117453.db2.gz RUJBYKYBMZRMLM-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420943519 394133828 /nfs/dbraw/zinc/13/38/28/394133828.db2.gz RCRVWSRHDZLYMX-JHJVBQTASA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049830 394144859 /nfs/dbraw/zinc/14/48/59/394144859.db2.gz HFNIZXFLBUITFT-MNOVXSKESA-N 1 0 281.331 2.571 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000360069924 394145724 /nfs/dbraw/zinc/14/57/24/394145724.db2.gz GFAILTJGIWOEIB-GFCCVEGCSA-N 1 0 293.342 2.715 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CCO)CC2)cs1 ZINC000421015574 394157989 /nfs/dbraw/zinc/15/79/89/394157989.db2.gz LOKQMWUHXXVNLZ-LLVKDONJSA-N 1 0 284.381 2.641 20 5 CFBDRO CC(=O)c1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000285985742 394175824 /nfs/dbraw/zinc/17/58/24/394175824.db2.gz CILFRCORIQDAGL-UHFFFAOYSA-N 1 0 291.351 2.695 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000363491653 394196966 /nfs/dbraw/zinc/19/69/66/394196966.db2.gz WDAAAACQXFFHSV-ZDUSSCGKSA-N 1 0 276.336 2.835 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000449135518 394225528 /nfs/dbraw/zinc/22/55/28/394225528.db2.gz PXKZUASKAHVTAA-STQMWFEESA-N 1 0 291.395 2.598 20 5 CFBDRO CCCCN(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449146856 394229924 /nfs/dbraw/zinc/22/99/24/394229924.db2.gz OOFXNNJOSHRWRC-CQSZACIVSA-N 1 0 293.411 2.847 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159270 394234912 /nfs/dbraw/zinc/23/49/12/394234912.db2.gz YYHRSZAJHZWKGK-MLGOLLRUSA-N 1 0 294.395 2.913 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160665 394235556 /nfs/dbraw/zinc/23/55/56/394235556.db2.gz MJYKIKOTIRCETH-WDEREUQCSA-N 1 0 268.382 2.867 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCO ZINC000449167156 394238025 /nfs/dbraw/zinc/23/80/25/394238025.db2.gz IFTWDNJBYFSFFG-LBPRGKRZSA-N 1 0 280.368 2.524 20 5 CFBDRO CC(C)CC[C@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449185959 394246388 /nfs/dbraw/zinc/24/63/88/394246388.db2.gz BMPDYSYQDFYBCU-KBPBESRZSA-N 1 0 294.399 2.986 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000449205792 394251743 /nfs/dbraw/zinc/25/17/43/394251743.db2.gz MEQDXDRSBYSHSX-WDEREUQCSA-N 1 0 274.324 2.600 20 5 CFBDRO CC(C)([NH2+]CCCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000292179495 394270731 /nfs/dbraw/zinc/27/07/31/394270731.db2.gz QITNFHNDDHBFFX-UHFFFAOYSA-N 1 0 288.351 2.706 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270056 394275829 /nfs/dbraw/zinc/27/58/29/394275829.db2.gz WKERBAJYKDCYDQ-YPMHNXCESA-N 1 0 265.357 2.619 20 5 CFBDRO CC1(C)C[C@@H](NC[C@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339182 394278156 /nfs/dbraw/zinc/27/81/56/394278156.db2.gz ZHPXDAMBGVEGAF-LSDHHAIUSA-N 1 0 289.379 2.644 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153636672 394287407 /nfs/dbraw/zinc/28/74/07/394287407.db2.gz MKMVHZIADZYUEW-CQSZACIVSA-N 1 0 296.754 2.861 20 5 CFBDRO Cc1nn(CCC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc12 ZINC000519698242 394375584 /nfs/dbraw/zinc/37/55/84/394375584.db2.gz UPHCEPWXEWGACB-UHFFFAOYSA-N 1 0 288.351 2.643 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)C2CCC2)cccc1[N+](=O)[O-] ZINC000453387336 394394383 /nfs/dbraw/zinc/39/43/83/394394383.db2.gz PTFGYNRFDDKANL-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000178361739 394387351 /nfs/dbraw/zinc/38/73/51/394387351.db2.gz JYFUTTHYBDWKDK-GOPGUHFVSA-N 1 0 298.342 2.904 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000535804324 394547113 /nfs/dbraw/zinc/54/71/13/394547113.db2.gz NCLJBICUUKAYEK-XQRVVYSFSA-N 1 0 276.336 2.719 20 5 CFBDRO CCC(O)(CC)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000539466510 394626385 /nfs/dbraw/zinc/62/63/85/394626385.db2.gz LFOZGXIQCHLWCW-CLFYSBASSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(O)CCCCC1 ZINC000539496981 394627456 /nfs/dbraw/zinc/62/74/56/394627456.db2.gz PSOGNWUGOVXZOE-VURMDHGXSA-N 1 0 290.363 2.893 20 5 CFBDRO COc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000539809105 394635215 /nfs/dbraw/zinc/63/52/15/394635215.db2.gz KEYRWVBOHYKLHK-PHIMTYICSA-N 1 0 296.392 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(C3CC3)CC2)cc1 ZINC000542525652 394706006 /nfs/dbraw/zinc/70/60/06/394706006.db2.gz PTFLQASAWOXPAG-UHFFFAOYSA-N 1 0 262.309 2.506 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](OC(F)F)C1 ZINC000555076490 394965591 /nfs/dbraw/zinc/96/55/91/394965591.db2.gz CEYPMLQRAJWIJU-CABZTGNLSA-N 1 0 286.278 2.969 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000558259459 395056082 /nfs/dbraw/zinc/05/60/82/395056082.db2.gz VOGREVKRWGIWFP-ZFWWWQNUSA-N 1 0 294.395 2.770 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135797190 292058594 /nfs/dbraw/zinc/05/85/94/292058594.db2.gz ZZFWUMZBPRVBGX-JTQLQIEISA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726924 292137345 /nfs/dbraw/zinc/13/73/45/292137345.db2.gz VMOSMAJLTHTQBS-ZIAGYGMSSA-N 1 0 289.379 2.824 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791673 155370055 /nfs/dbraw/zinc/37/00/55/155370055.db2.gz JLBCJFRANPNUFH-NEPJUHHUSA-N 1 0 293.367 2.522 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071784 292297085 /nfs/dbraw/zinc/29/70/85/292297085.db2.gz RZSMUPHHMYBWRD-OSMZGAPFSA-N 1 0 278.352 2.667 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCCC2CCCCC2)c1 ZINC000348099919 154318876 /nfs/dbraw/zinc/31/88/76/154318876.db2.gz XSDAOWYWTQUBTL-UHFFFAOYSA-N 1 0 280.372 2.741 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000348153780 154341755 /nfs/dbraw/zinc/34/17/55/154341755.db2.gz UKERTLMPHQZTCU-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000348166160 154345947 /nfs/dbraw/zinc/34/59/47/154345947.db2.gz FUMRVZFHERPPDG-STQMWFEESA-N 1 0 292.383 2.607 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCO1 ZINC000348283861 154394414 /nfs/dbraw/zinc/39/44/14/154394414.db2.gz YYKSDVVJHIVCFZ-GXTWGEPZSA-N 1 0 294.351 2.651 20 5 CFBDRO COCCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000355487800 155022879 /nfs/dbraw/zinc/02/28/79/155022879.db2.gz SACMKGHRHFNARM-UHFFFAOYSA-N 1 0 282.315 2.783 20 5 CFBDRO CC[NH+](CC)CCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359083230 155978673 /nfs/dbraw/zinc/97/86/73/155978673.db2.gz NQTIJVITLZAXIM-UHFFFAOYSA-N 1 0 280.372 2.750 20 5 CFBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000359148185 156005964 /nfs/dbraw/zinc/00/59/64/156005964.db2.gz UNZJQXIQBIYZFK-ZCFIWIBFSA-N 1 0 268.260 2.944 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367053299 156274127 /nfs/dbraw/zinc/27/41/27/156274127.db2.gz FAPZKVIJLALJGQ-HNNXBMFYSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cs1 ZINC000367447026 156333662 /nfs/dbraw/zinc/33/36/62/156333662.db2.gz IRJXFPHKOLDXDR-CYBMUJFWSA-N 1 0 282.365 2.659 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CCC3)CC2)c1 ZINC000367518879 156343259 /nfs/dbraw/zinc/34/32/59/156343259.db2.gz KRUQQSDMGIRPOU-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000367703510 156377988 /nfs/dbraw/zinc/37/79/88/156377988.db2.gz DAKJLSZLNCFDTM-LVQVYYBASA-N 1 0 290.363 2.918 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1F ZINC000374906479 157171243 /nfs/dbraw/zinc/17/12/43/157171243.db2.gz AMDRULNSVFXMLD-SWLSCSKDSA-N 1 0 294.326 2.735 20 5 CFBDRO COC[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375103405 157196343 /nfs/dbraw/zinc/19/63/43/157196343.db2.gz ZEMSCCHULVANAG-AWEZNQCLSA-N 1 0 278.352 2.843 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCO2)CC1 ZINC000376394560 157349581 /nfs/dbraw/zinc/34/95/81/157349581.db2.gz AIXNYKMBLHOPDD-LBPRGKRZSA-N 1 0 276.336 2.911 20 5 CFBDRO Cc1c(C[N@@H+]2CCOCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000408173723 157383927 /nfs/dbraw/zinc/38/39/27/157383927.db2.gz CMEXIAXEHIJVAK-UHFFFAOYSA-N 1 0 276.336 2.516 20 5 CFBDRO Cc1cnc(NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000343790872 161863277 /nfs/dbraw/zinc/86/32/77/161863277.db2.gz CVGVHSSBETZSMF-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO CCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000343812913 161868448 /nfs/dbraw/zinc/86/84/48/161868448.db2.gz WJALQHKZVSWPSY-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000344408277 162038152 /nfs/dbraw/zinc/03/81/52/162038152.db2.gz KSADVUQQVDWCAE-MRXNPFEDSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344416671 162041047 /nfs/dbraw/zinc/04/10/47/162041047.db2.gz JLYZVSGCSYSCLB-VXGBXAGGSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000344750943 162116121 /nfs/dbraw/zinc/11/61/21/162116121.db2.gz OVKRLWWVVZNQHC-CZUORRHYSA-N 1 0 292.379 2.932 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1C ZINC000344829021 162129762 /nfs/dbraw/zinc/12/97/62/162129762.db2.gz CMIKPVACURJFBA-LRFDDAOPSA-N 1 0 289.379 2.682 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnccn1 ZINC000344864123 162138662 /nfs/dbraw/zinc/13/86/62/162138662.db2.gz LIRQECGMOBUKDT-LCYFTJDESA-N 1 0 298.346 2.620 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)C(C)C ZINC000344892272 162142225 /nfs/dbraw/zinc/14/22/25/162142225.db2.gz XNISSDFHEFDVEK-GXDHUFHOSA-N 1 0 291.395 2.928 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cs1 ZINC000344931280 162148661 /nfs/dbraw/zinc/14/86/61/162148661.db2.gz QIGGFRRCJCCCLK-RAIGVLPGSA-N 1 0 294.376 2.704 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCCO ZINC000345030861 162164227 /nfs/dbraw/zinc/16/42/27/162164227.db2.gz LGULHSRZRZQXHA-SUIFULHWSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180491 162342033 /nfs/dbraw/zinc/34/20/33/162342033.db2.gz BYWNFCJJUOFUES-UONOGXRCSA-N 1 0 291.395 2.552 20 5 CFBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000348712072 162890886 /nfs/dbraw/zinc/89/08/86/162890886.db2.gz HIKUVLWMIOXEGE-RPHSKFLZSA-N 1 0 278.352 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCO)CCCC2)c(F)c1 ZINC000350343758 163074820 /nfs/dbraw/zinc/07/48/20/163074820.db2.gz WBMOFVRFKMYLKW-UHFFFAOYSA-N 1 0 296.342 2.766 20 5 CFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000350518060 163089813 /nfs/dbraw/zinc/08/98/13/163089813.db2.gz SJUPAFNDVBZWFE-RYUDHWBXSA-N 1 0 288.351 2.610 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C)nc2)cc1[N+](=O)[O-] ZINC000351737529 163184742 /nfs/dbraw/zinc/18/47/42/163184742.db2.gz UCXAWQCTNDOWFT-LLVKDONJSA-N 1 0 286.335 2.852 20 5 CFBDRO COc1cc(C[N@H+](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000352766936 163231410 /nfs/dbraw/zinc/23/14/10/163231410.db2.gz DYGVLRVQQFLYGO-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352816343 163241661 /nfs/dbraw/zinc/24/16/61/163241661.db2.gz OTMFHGBDFRNUAQ-ZYHUDNBSSA-N 1 0 296.392 2.835 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000352819707 163243875 /nfs/dbraw/zinc/24/38/75/163243875.db2.gz XOOUCNLJQIQQNL-OAHLLOKOSA-N 1 0 294.351 2.652 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000352875407 163258399 /nfs/dbraw/zinc/25/83/99/163258399.db2.gz KMLGCPMDGWFNEE-UHFFFAOYSA-N 1 0 297.424 2.964 20 5 CFBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352883894 163259681 /nfs/dbraw/zinc/25/96/81/163259681.db2.gz PHVWZIUNQVLMSJ-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353032687 163293594 /nfs/dbraw/zinc/29/35/94/163293594.db2.gz HIRHBKOYSYDLJW-CMPLNLGQSA-N 1 0 266.366 2.744 20 5 CFBDRO C[C@@H]1COCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353036098 163293639 /nfs/dbraw/zinc/29/36/39/163293639.db2.gz FDPKBYWVXMCTNZ-HNLSUCLVSA-N 1 0 290.363 2.870 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000284230184 196007933 /nfs/dbraw/zinc/00/79/33/196007933.db2.gz HSIFIKILYZKFGC-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1cnc(OCC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000284233740 196009856 /nfs/dbraw/zinc/00/98/56/196009856.db2.gz NGLTXZZBGKCCFG-GFCCVEGCSA-N 1 0 279.340 2.551 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000284230190 196008593 /nfs/dbraw/zinc/00/85/93/196008593.db2.gz HSIFIKILYZKFGC-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000322904945 270297343 /nfs/dbraw/zinc/29/73/43/270297343.db2.gz HJXUFSHLWZFLOW-AWEZNQCLSA-N 1 0 282.340 2.508 20 5 CFBDRO CC(C)[NH+]1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000020189409 171055719 /nfs/dbraw/zinc/05/57/19/171055719.db2.gz FKXRPLKGPNXRAT-UHFFFAOYSA-N 1 0 277.368 2.557 20 5 CFBDRO CCC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000020190040 171057123 /nfs/dbraw/zinc/05/71/23/171057123.db2.gz YFGCEQLOHODARI-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000284717707 196116907 /nfs/dbraw/zinc/11/69/07/196116907.db2.gz JEXORSGTYYSJKN-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccccc2)cc1[N+](=O)[O-] ZINC000021516265 171312524 /nfs/dbraw/zinc/31/25/24/171312524.db2.gz COPPJFMZAULLAL-UHFFFAOYSA-N 1 0 272.304 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000284753903 196125241 /nfs/dbraw/zinc/12/52/41/196125241.db2.gz LPVKBYODRSUPFP-GJZGRUSLSA-N 1 0 294.326 2.877 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])no1 ZINC000284905194 196154294 /nfs/dbraw/zinc/15/42/94/196154294.db2.gz CKHBGJBYOXTPMV-LLVKDONJSA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035258929 172090748 /nfs/dbraw/zinc/09/07/48/172090748.db2.gz ORWZMGWJCGBHPA-ZDUSSCGKSA-N 1 0 277.368 2.559 20 5 CFBDRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285154405 196208985 /nfs/dbraw/zinc/20/89/85/196208985.db2.gz MJLGUDFYJWOIAE-KOLCDFICSA-N 1 0 283.397 2.969 20 5 CFBDRO Cc1noc(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285251865 196232813 /nfs/dbraw/zinc/23/28/13/196232813.db2.gz HFIKZYYMPFKBPC-UHFFFAOYSA-N 1 0 289.335 2.874 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000035601100 172288950 /nfs/dbraw/zinc/28/89/50/172288950.db2.gz OIKITPOQMGZSNB-WBMJQRKESA-N 1 0 286.331 2.979 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000285283332 196240633 /nfs/dbraw/zinc/24/06/33/196240633.db2.gz JQEJXQONJOSJPZ-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285281460 196240648 /nfs/dbraw/zinc/24/06/48/196240648.db2.gz RGWWXFHCEMXUAZ-GHMZBOCLSA-N 1 0 293.367 2.643 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000035692098 172361020 /nfs/dbraw/zinc/36/10/20/172361020.db2.gz LENDFYYOYNTVGM-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000285613001 196343980 /nfs/dbraw/zinc/34/39/80/196343980.db2.gz VYNUBEFYQYYBEP-OCCSQVGLSA-N 1 0 278.352 2.665 20 5 CFBDRO CCC[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000285707098 196372335 /nfs/dbraw/zinc/37/23/35/196372335.db2.gz WFTGHJHGSRAUQW-HNNXBMFYSA-N 1 0 278.352 2.952 20 5 CFBDRO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037487074 173230281 /nfs/dbraw/zinc/23/02/81/173230281.db2.gz RFKJPOTWCBHMIK-UHFFFAOYSA-N 1 0 272.304 2.893 20 5 CFBDRO CCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000037924668 173863373 /nfs/dbraw/zinc/86/33/73/173863373.db2.gz QRPZKEOFAXVLCS-UHFFFAOYSA-N 1 0 277.349 2.904 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038044378 174052298 /nfs/dbraw/zinc/05/22/98/174052298.db2.gz GPUGVDJDKRNATP-OLZOCXBDSA-N 1 0 278.352 2.980 20 5 CFBDRO CCCCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000040506611 174301879 /nfs/dbraw/zinc/30/18/79/174301879.db2.gz PSBUXPZCGJHUCY-UHFFFAOYSA-N 1 0 252.314 2.501 20 5 CFBDRO C[C@@H]1CCC[C@@](CNc2ncccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670036 174368266 /nfs/dbraw/zinc/36/82/66/174368266.db2.gz TZUXGJAURKKOBV-IUODEOHRSA-N 1 0 292.383 2.912 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676005 174373915 /nfs/dbraw/zinc/37/39/15/174373915.db2.gz LAJWUINOURYSRJ-CABCVRRESA-N 1 0 278.352 2.685 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676002 174373980 /nfs/dbraw/zinc/37/39/80/174373980.db2.gz LAJWUINOURYSRJ-LSDHHAIUSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044417334 175173174 /nfs/dbraw/zinc/17/31/74/175173174.db2.gz FYRKPDLFTTWEEA-JTQLQIEISA-N 1 0 281.743 2.897 20 5 CFBDRO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044533987 175197765 /nfs/dbraw/zinc/19/77/65/175197765.db2.gz RDRTUFWWYROPOS-CHWSQXEVSA-N 1 0 277.368 2.587 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685660 175231290 /nfs/dbraw/zinc/23/12/90/175231290.db2.gz QCOKYXGFTLCVNE-BBRMVZONSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000049558639 175488080 /nfs/dbraw/zinc/48/80/80/175488080.db2.gz UCDRPHSALIXVRX-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CC[NH+](C)C ZINC000049558730 175488222 /nfs/dbraw/zinc/48/82/22/175488222.db2.gz LJAYORUPBHACQR-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000057839559 175602366 /nfs/dbraw/zinc/60/23/66/175602366.db2.gz JVELJAWSMYFCMP-UHFFFAOYSA-N 1 0 255.293 2.534 20 5 CFBDRO C[N@H+](CCNCc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000071377058 176142173 /nfs/dbraw/zinc/14/21/73/176142173.db2.gz OBPHHGCCJFSCSO-UHFFFAOYSA-N 1 0 283.397 2.620 20 5 CFBDRO COc1ccc(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000076406442 177019655 /nfs/dbraw/zinc/01/96/55/177019655.db2.gz AXSPKQNLMDUNGO-UHFFFAOYSA-N 1 0 250.298 2.589 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000077460856 177271790 /nfs/dbraw/zinc/27/17/90/177271790.db2.gz IPVSIKFTPJSKQF-AWEZNQCLSA-N 1 0 292.360 2.654 20 5 CFBDRO CC(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000078638470 177363137 /nfs/dbraw/zinc/36/31/37/177363137.db2.gz DWJGRENKGTUOOB-UHFFFAOYSA-N 1 0 288.351 2.741 20 5 CFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCCO1 ZINC000195313645 270252730 /nfs/dbraw/zinc/25/27/30/270252730.db2.gz CCONCDDPKRYXLQ-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000313016313 260235014 /nfs/dbraw/zinc/23/50/14/260235014.db2.gz ATIUEILCRKIBPL-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000311945162 260259413 /nfs/dbraw/zinc/25/94/13/260259413.db2.gz IMBKZGBVXCYWCS-JTQLQIEISA-N 1 0 269.320 2.794 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224073171 270255980 /nfs/dbraw/zinc/25/59/80/270255980.db2.gz QFYHGKFRTRSXNH-YWPYICTPSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316113787 270293994 /nfs/dbraw/zinc/29/39/94/270293994.db2.gz FNVXFNSQXKFRAC-HUUCEWRRSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000322796436 270297027 /nfs/dbraw/zinc/29/70/27/270297027.db2.gz OXSNPYCMILJKQX-FZMZJTMJSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000342706944 270302550 /nfs/dbraw/zinc/30/25/50/270302550.db2.gz HZDQXSBUEXWFAD-HUBLWGQQSA-N 1 0 277.368 2.728 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C)(C)C1 ZINC000395232400 270311950 /nfs/dbraw/zinc/31/19/50/270311950.db2.gz VDMDBTHTKXLVGD-UHFFFAOYSA-N 1 0 264.325 2.882 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000397775333 270319371 /nfs/dbraw/zinc/31/93/71/270319371.db2.gz AYDTYHDWWKXTGX-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CN(CCC[NH3+])c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000517903035 270410797 /nfs/dbraw/zinc/41/07/97/270410797.db2.gz HIIXWEZZWQVJBZ-UHFFFAOYSA-N 1 0 278.139 2.687 20 5 CFBDRO Cc1c(NC(=O)CCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000520904222 270421916 /nfs/dbraw/zinc/42/19/16/270421916.db2.gz DXYXIJUQMKOMLW-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCO ZINC000271200545 273748323 /nfs/dbraw/zinc/74/83/23/273748323.db2.gz ZDXJWCBTFPDYSJ-VXGBXAGGSA-N 1 0 298.408 2.826 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000298731835 273498543 /nfs/dbraw/zinc/49/85/43/273498543.db2.gz NSGHGAGQZRVEML-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO CC1(C)C[C@@H](NC[C@@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423243432 273587540 /nfs/dbraw/zinc/58/75/40/273587540.db2.gz WLIRZIQGDQKRRB-XHDPSFHLSA-N 1 0 289.379 2.659 20 5 CFBDRO CC1(C)C[C@H](NC[C@H]([NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423339180 273589155 /nfs/dbraw/zinc/58/91/55/273589155.db2.gz ZHPXDAMBGVEGAF-GJZGRUSLSA-N 1 0 289.379 2.644 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423377857 273686941 /nfs/dbraw/zinc/68/69/41/273686941.db2.gz KOHHDFPVPYNIRL-IAQYHMDHSA-N 1 0 291.395 2.905 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277008542 273807245 /nfs/dbraw/zinc/80/72/45/273807245.db2.gz IVZBONZZFHQBBD-LLVKDONJSA-N 1 0 298.774 2.564 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078617842 273816446 /nfs/dbraw/zinc/81/64/46/273816446.db2.gz CJDINAFAXRNAIQ-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@@H](F)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351879730 274233727 /nfs/dbraw/zinc/23/37/27/274233727.db2.gz UTEYIWZSSPJUCO-SNVBAGLBSA-N 1 0 252.289 2.701 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000177913306 274302662 /nfs/dbraw/zinc/30/26/62/274302662.db2.gz FXNPNDRCBFOKOO-GHMZBOCLSA-N 1 0 292.335 2.692 20 5 CFBDRO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420289657 274360887 /nfs/dbraw/zinc/36/08/87/274360887.db2.gz ZXDHYXQYMRPPSR-HZGVNTEJSA-N 1 0 290.150 2.685 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349193896 274363473 /nfs/dbraw/zinc/36/34/73/274363473.db2.gz WXDQIGVGCNMSSZ-NXEZZACHSA-N 1 0 283.759 2.777 20 5 CFBDRO C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309383 274393529 /nfs/dbraw/zinc/39/35/29/274393529.db2.gz OXBGGBMIIFJNCL-PVXIVEMSSA-N 1 0 289.379 2.702 20 5 CFBDRO C[C@H]([NH2+]Cc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000168895269 274517437 /nfs/dbraw/zinc/51/74/37/274517437.db2.gz UAVOIRQJMHKHSI-VIFPVBQESA-N 1 0 263.322 2.902 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000287003783 274643150 /nfs/dbraw/zinc/64/31/50/274643150.db2.gz RAIBJJSGMTXJKK-DZGCQCFKSA-N 1 0 289.379 2.653 20 5 CFBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCc3c[nH+]ccc32)s1 ZINC000342793529 275034245 /nfs/dbraw/zinc/03/42/45/275034245.db2.gz VFOUKDSBPDHEMU-UHFFFAOYSA-N 1 0 299.315 2.689 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246905842 275039868 /nfs/dbraw/zinc/03/98/68/275039868.db2.gz VSZKRRBMRDPCNR-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO CCC[C@@H](C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453578806 276021831 /nfs/dbraw/zinc/02/18/31/276021831.db2.gz RGCCMVFMRTYBAW-CYBMUJFWSA-N 1 0 292.383 2.548 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000345149186 276250861 /nfs/dbraw/zinc/25/08/61/276250861.db2.gz NPYMQCPFZWVVCB-STQMWFEESA-N 1 0 277.368 2.822 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345154533 276250986 /nfs/dbraw/zinc/25/09/86/276250986.db2.gz XJXVDHPWNLRQFE-NEPJUHHUSA-N 1 0 263.341 2.514 20 5 CFBDRO CC[NH2+]CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423253901 276266992 /nfs/dbraw/zinc/26/69/92/276266992.db2.gz ZWCQIEHUIFQNDW-AWEZNQCLSA-N 1 0 277.368 2.516 20 5 CFBDRO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000421887399 276552062 /nfs/dbraw/zinc/55/20/62/276552062.db2.gz SRGHNSIWSWOLLP-XQQFMLRXSA-N 1 0 280.372 2.911 20 5 CFBDRO C[NH+](C)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432316056 276773316 /nfs/dbraw/zinc/77/33/16/276773316.db2.gz YCCGHYZAZCHOKQ-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000066834297 277125561 /nfs/dbraw/zinc/12/55/61/277125561.db2.gz IPTQXDULVHCZJU-YPMHNXCESA-N 1 0 292.335 2.541 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668452 277283550 /nfs/dbraw/zinc/28/35/50/277283550.db2.gz GFNLSXNXVGLJKO-UONOGXRCSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000219246339 277629908 /nfs/dbraw/zinc/62/99/08/277629908.db2.gz AJRXJVDRUHBICT-NXEZZACHSA-N 1 0 252.339 2.751 20 5 CFBDRO CC(C)c1ccc(CN2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000353605784 278036148 /nfs/dbraw/zinc/03/61/48/278036148.db2.gz LXSSAHTYPFOILF-CYBMUJFWSA-N 1 0 291.395 2.854 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000361386424 278265752 /nfs/dbraw/zinc/26/57/52/278265752.db2.gz KGSZFFVGGHSIPD-FZMZJTMJSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268892338 278349711 /nfs/dbraw/zinc/34/97/11/278349711.db2.gz OKATXMPPFNBUFD-ZWNOBZJWSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](C)O ZINC000453337186 288082415 /nfs/dbraw/zinc/08/24/15/288082415.db2.gz KZJNJJLGFPBDFF-MDZLAQPJSA-N 1 0 266.341 2.713 20 5 CFBDRO CC[NH+](CC)CCN(CC(C)C)c1ncccc1[N+](=O)[O-] ZINC000448233163 279102524 /nfs/dbraw/zinc/10/25/24/279102524.db2.gz BGLQSFGENGFRSI-UHFFFAOYSA-N 1 0 294.399 2.794 20 5 CFBDRO C[C@H](CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279136507 279355687 /nfs/dbraw/zinc/35/56/87/279355687.db2.gz RNWKRPJZQDMXCU-IINYFYTJSA-N 1 0 278.352 2.535 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000272153979 279544602 /nfs/dbraw/zinc/54/46/02/279544602.db2.gz RLYSBEVTQRCBDB-WOPDTQHZSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cc(N(C)CC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000359896882 280538648 /nfs/dbraw/zinc/53/86/48/280538648.db2.gz JWHOUVOPDXJRBL-UHFFFAOYSA-N 1 0 281.331 2.574 20 5 CFBDRO Cc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000274368675 280560071 /nfs/dbraw/zinc/56/00/71/280560071.db2.gz PHNHGSGCQMJHAW-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000134285054 280755663 /nfs/dbraw/zinc/75/56/63/280755663.db2.gz WBVBEJBIHAKURP-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000189352998 280872764 /nfs/dbraw/zinc/87/27/64/280872764.db2.gz XTDFCNGBUBTVMK-LSDHHAIUSA-N 1 0 292.379 2.967 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000246502932 280988316 /nfs/dbraw/zinc/98/83/16/280988316.db2.gz SRRSWMLAPJPFLH-BFHYXJOUSA-N 1 0 264.325 2.549 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000301554748 281012357 /nfs/dbraw/zinc/01/23/57/281012357.db2.gz IETAMMJYAKCBQM-HNNXBMFYSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000268881276 281013668 /nfs/dbraw/zinc/01/36/68/281013668.db2.gz WLGATTUVSRLZAM-UONOGXRCSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000156176725 281022003 /nfs/dbraw/zinc/02/20/03/281022003.db2.gz UPSXPRWLXUHSQJ-UONOGXRCSA-N 1 0 291.395 2.848 20 5 CFBDRO Cc1cnccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255430227 281098203 /nfs/dbraw/zinc/09/82/03/281098203.db2.gz MNXDMNMOWFZILU-WAYWQWQTSA-N 1 0 283.287 2.950 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000531973540 281443730 /nfs/dbraw/zinc/44/37/30/281443730.db2.gz XWEDUHGPXYHYPD-SWLSCSKDSA-N 1 0 278.352 2.980 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000538394817 281552702 /nfs/dbraw/zinc/55/27/02/281552702.db2.gz QGEODZXUCUNJAT-BYCMXARLSA-N 1 0 292.379 2.786 20 5 CFBDRO COc1cc(C[NH2+]C2(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000543453438 281647604 /nfs/dbraw/zinc/64/76/04/281647604.db2.gz NNRHCGFUXZTEJX-UHFFFAOYSA-N 1 0 262.309 2.636 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000550699774 281828108 /nfs/dbraw/zinc/82/81/08/281828108.db2.gz MSBHTMCLLDMQNM-DOMZBBRYSA-N 1 0 294.351 2.521 20 5 CFBDRO CC[C@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554083244 281885424 /nfs/dbraw/zinc/88/54/24/281885424.db2.gz MLDHMIZXJQGUPH-FZMZJTMJSA-N 1 0 264.325 2.752 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000554560465 281897785 /nfs/dbraw/zinc/89/77/85/281897785.db2.gz PPYWCYFQKHBCBG-OAHLLOKOSA-N 1 0 290.363 2.686 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558461909 281982937 /nfs/dbraw/zinc/98/29/37/281982937.db2.gz TYQHHOCXABBZLQ-GWCFXTLKSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc([N+](=O)[O-])cc1 ZINC000151804391 289831562 /nfs/dbraw/zinc/83/15/62/289831562.db2.gz QMCVSTNPWKRPCL-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563415982 290146513 /nfs/dbraw/zinc/14/65/13/290146513.db2.gz DZLAQKLEJAFASK-GWCFXTLKSA-N 1 0 264.325 2.597 20 5 CFBDRO CCOCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418905 290147092 /nfs/dbraw/zinc/14/70/92/290147092.db2.gz REROIXJFQJBFEY-ZDUSSCGKSA-N 1 0 264.325 2.598 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCOC1 ZINC000563419267 290147167 /nfs/dbraw/zinc/14/71/67/290147167.db2.gz SPHWPNAOTHXGEL-BXUZGUMPSA-N 1 0 276.336 2.598 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000564929519 290249947 /nfs/dbraw/zinc/24/99/47/290249947.db2.gz OEHLHTLYADJYEC-UHFFFAOYSA-N 1 0 252.314 2.704 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000565430181 290301374 /nfs/dbraw/zinc/30/13/74/290301374.db2.gz CQTQJCBCMQMWMR-LBPRGKRZSA-N 1 0 293.367 2.746 20 5 CFBDRO CC(C)[NH2+]CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000566088289 290346495 /nfs/dbraw/zinc/34/64/95/290346495.db2.gz GXVBKLWAEVUPEP-INIZCTEOSA-N 1 0 291.395 2.950 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242815 290361496 /nfs/dbraw/zinc/36/14/96/290361496.db2.gz KZOYDHSLVQJJRM-CZUORRHYSA-N 1 0 289.379 2.731 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cn[nH]c1 ZINC000566474630 290391239 /nfs/dbraw/zinc/39/12/39/290391239.db2.gz GWPPYXGOFYMMSZ-ZANVPECISA-N 1 0 272.308 2.656 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123541 290440990 /nfs/dbraw/zinc/44/09/90/290440990.db2.gz LJAHRGOUJNKDOD-NRUUGDAUSA-N 1 0 264.325 2.595 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163600823 322377746 /nfs/dbraw/zinc/37/77/46/322377746.db2.gz XGRBLVWKFIRUTE-DGCLKSJQSA-N 1 0 266.341 2.715 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000570580902 322540169 /nfs/dbraw/zinc/54/01/69/322540169.db2.gz HREDMBNLWJDFOD-LALPHHSUSA-N 1 0 290.363 2.987 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570590936 322540195 /nfs/dbraw/zinc/54/01/95/322540195.db2.gz ZPULUDQFSZXLFK-VHRBIJSZSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCSC3)c2c1 ZINC000572916674 322637089 /nfs/dbraw/zinc/63/70/89/322637089.db2.gz LRDNTGZRBYFWEY-NSHDSACASA-N 1 0 291.376 2.714 20 5 CFBDRO CC(C)(C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573087519 322643536 /nfs/dbraw/zinc/64/35/36/322643536.db2.gz LHXDKNALEBNWNZ-UHFFFAOYSA-N 1 0 293.367 2.949 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574292311 322688450 /nfs/dbraw/zinc/68/84/50/322688450.db2.gz OAORPJQADSIIGC-JSGCOSHPSA-N 1 0 276.336 2.739 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccncc1 ZINC000575072173 322717513 /nfs/dbraw/zinc/71/75/13/322717513.db2.gz SJINXSPONWSJNR-OAHLLOKOSA-N 1 0 283.331 2.809 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182329839 323857418 /nfs/dbraw/zinc/85/74/18/323857418.db2.gz DWKXYSSKZSWQCB-GXTWGEPZSA-N 1 0 294.351 2.521 20 5 CFBDRO CC/C=C\CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000341308772 324123350 /nfs/dbraw/zinc/12/33/50/324123350.db2.gz AUPPXLHZAYGZBI-DHCBQETCSA-N 1 0 290.367 2.832 20 5 CFBDRO C[C@H]([NH2+]CCn1cc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000383815996 324441569 /nfs/dbraw/zinc/44/15/69/324441569.db2.gz QLOSTTBGHKFZND-JTQLQIEISA-N 1 0 294.742 2.796 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000576356900 324607988 /nfs/dbraw/zinc/60/79/88/324607988.db2.gz IDNFPUUORWSNIP-GFCCVEGCSA-N 1 0 274.324 2.749 20 5 CFBDRO C[C@]1(CO)CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577528910 324749706 /nfs/dbraw/zinc/74/97/06/324749706.db2.gz KRYPEUDUFGPNME-FVQBIDKESA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581206588 325101252 /nfs/dbraw/zinc/10/12/52/325101252.db2.gz WJKXIVKOYSDKCN-GHMZBOCLSA-N 1 0 297.330 2.650 20 5 CFBDRO CCOC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581260035 325105981 /nfs/dbraw/zinc/10/59/81/325105981.db2.gz DKUPCBWRJVRSFC-ZDUSSCGKSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582786823 325234094 /nfs/dbraw/zinc/23/40/94/325234094.db2.gz JJXNWULYPQUQQN-HIFRSBDPSA-N 1 0 276.336 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CC(O)C1)CCC2 ZINC000582884956 325242114 /nfs/dbraw/zinc/24/21/14/325242114.db2.gz DIZMQQGSVSOMIN-HFLCMSJXSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583391460 325284265 /nfs/dbraw/zinc/28/42/65/325284265.db2.gz VWPKURWIOLJEIZ-SMDDNHRTSA-N 1 0 278.352 2.580 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)c1ccccc1 ZINC000583510116 325293398 /nfs/dbraw/zinc/29/33/98/325293398.db2.gz HLAAMNPFYJOUAJ-HOTGVXAUSA-N 1 0 298.342 2.905 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC1(C)C ZINC000583880232 325316944 /nfs/dbraw/zinc/31/69/44/325316944.db2.gz RCCFCNNYWCULDA-ZDUSSCGKSA-N 1 0 291.351 2.620 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000583938219 325320176 /nfs/dbraw/zinc/32/01/76/325320176.db2.gz PNSJGFMRNRVRAU-GXSJLCMTSA-N 1 0 272.370 2.543 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CCO)CCC1 ZINC000584183119 325336801 /nfs/dbraw/zinc/33/68/01/325336801.db2.gz VLWYJRXNXIFNLK-AWEZNQCLSA-N 1 0 290.363 2.724 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC000584421297 329465926 /nfs/dbraw/zinc/46/59/26/329465926.db2.gz KZLLXNRMWLOWLG-UHFFFAOYSA-N 1 0 281.356 2.603 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1Cl ZINC001154984765 782134686 /nfs/dbraw/zinc/13/46/86/782134686.db2.gz IMSBWAIRHFKEEO-RKDXNWHRSA-N 1 0 284.747 2.633 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045656988 522205046 /nfs/dbraw/zinc/20/50/46/522205046.db2.gz AVULJBRTBIAIKZ-WDEREUQCSA-N 1 0 252.314 2.528 20 5 CFBDRO Cc1ccc(CNCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000414850759 534056351 /nfs/dbraw/zinc/05/63/51/534056351.db2.gz ZTFOCPTVBRPEAQ-UHFFFAOYSA-N 1 0 277.368 2.654 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098012881 534270982 /nfs/dbraw/zinc/27/09/82/534270982.db2.gz XGXYDYOLRGFTCI-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO CC(C)(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361541074 518974052 /nfs/dbraw/zinc/97/40/52/518974052.db2.gz LPXBBZBQPHLHGW-LBPRGKRZSA-N 1 0 280.372 2.549 20 5 CFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339367810 519229247 /nfs/dbraw/zinc/22/92/47/519229247.db2.gz UAEBMLKNOLASJG-LLVKDONJSA-N 1 0 276.296 2.691 20 5 CFBDRO CC(C)[N@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350589 519651577 /nfs/dbraw/zinc/65/15/77/519651577.db2.gz GLUTXKVXQMCEKA-UHFFFAOYSA-N 1 0 288.351 2.702 20 5 CFBDRO CC(C)[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359543 519827707 /nfs/dbraw/zinc/82/77/07/519827707.db2.gz QPVSAQQXYSAJGB-GDBMZVCRSA-N 1 0 292.379 2.931 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000233736362 520089651 /nfs/dbraw/zinc/08/96/51/520089651.db2.gz AEFVHMUIKCMVNL-CYBMUJFWSA-N 1 0 266.341 2.746 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000233779826 520150676 /nfs/dbraw/zinc/15/06/76/520150676.db2.gz AEFVHMUIKCMVNL-ZDUSSCGKSA-N 1 0 266.341 2.746 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072858674 520255860 /nfs/dbraw/zinc/25/58/60/520255860.db2.gz BDEWQVPNXUJUIU-UONOGXRCSA-N 1 0 291.395 2.929 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000195527346 520362189 /nfs/dbraw/zinc/36/21/89/520362189.db2.gz FJKRVCQMBLBFPN-UHFFFAOYSA-N 1 0 299.758 2.917 20 5 CFBDRO CCOC(=O)CCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172620967 520631672 /nfs/dbraw/zinc/63/16/72/520631672.db2.gz CJZGZMBCKNANBO-UHFFFAOYSA-N 1 0 294.351 2.760 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076055807 520874528 /nfs/dbraw/zinc/87/45/28/520874528.db2.gz XZUMPGNVFGIGBG-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049480556 521480985 /nfs/dbraw/zinc/48/09/85/521480985.db2.gz IBGMAYOQTBXUJP-UHFFFAOYSA-N 1 0 285.731 2.529 20 5 CFBDRO CCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480647 521484659 /nfs/dbraw/zinc/48/46/59/521484659.db2.gz KWBIVPAFDWTSHO-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1 ZINC000223233619 521610678 /nfs/dbraw/zinc/61/06/78/521610678.db2.gz SVBJMPZOQHCESJ-UHFFFAOYSA-N 1 0 251.330 2.739 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000062057974 522475411 /nfs/dbraw/zinc/47/54/11/522475411.db2.gz BUYKVGZYSDLWSR-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000049129758 522837778 /nfs/dbraw/zinc/83/77/78/522837778.db2.gz GCWQGAZBEYFZTA-CQSZACIVSA-N 1 0 266.341 2.998 20 5 CFBDRO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553781 522932584 /nfs/dbraw/zinc/93/25/84/522932584.db2.gz SQGNKSXFXSSMNP-IUODEOHRSA-N 1 0 279.384 2.976 20 5 CFBDRO [NH3+]C[C@@H](NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000414837263 534678470 /nfs/dbraw/zinc/67/84/70/534678470.db2.gz JJGPLABZXZCFEF-OAHLLOKOSA-N 1 0 277.368 2.592 20 5 CFBDRO COCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151667005 523376310 /nfs/dbraw/zinc/37/63/10/523376310.db2.gz DVLCLXQWBGMZCM-NSHDSACASA-N 1 0 252.314 2.590 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000361001082 523597811 /nfs/dbraw/zinc/59/78/11/523597811.db2.gz YLDWNNXZNKOFMQ-LLVKDONJSA-N 1 0 270.354 2.657 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000182444212 523885251 /nfs/dbraw/zinc/88/52/51/523885251.db2.gz AJHBCTNDGUFXEZ-MNOVXSKESA-N 1 0 252.314 2.589 20 5 CFBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000363448937 524029610 /nfs/dbraw/zinc/02/96/10/524029610.db2.gz HZPKTTBFNJNCRP-CQSZACIVSA-N 1 0 284.319 2.588 20 5 CFBDRO Cc1cccc(-c2nc([C@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000339387696 524120484 /nfs/dbraw/zinc/12/04/84/524120484.db2.gz OFGASDYMGSFPQC-LLVKDONJSA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000312522289 524597000 /nfs/dbraw/zinc/59/70/00/524597000.db2.gz BYUIIGQZGBRPJT-ZIAGYGMSSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C[NH+](C)C ZINC000314135442 524756330 /nfs/dbraw/zinc/75/63/30/524756330.db2.gz FRQAVDCGTJTJCT-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO Cc1cc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000338284353 525055243 /nfs/dbraw/zinc/05/52/43/525055243.db2.gz SAYRVZSTXRUNHS-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263220474 525201528 /nfs/dbraw/zinc/20/15/28/525201528.db2.gz LTIOTLJTNIAVHI-WFASDCNBSA-N 1 0 291.351 2.749 20 5 CFBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000368764447 525267849 /nfs/dbraw/zinc/26/78/49/525267849.db2.gz GNUJUOGFSHNNHZ-UONOGXRCSA-N 1 0 296.392 2.951 20 5 CFBDRO Cc1cc(NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000097934157 525267890 /nfs/dbraw/zinc/26/78/90/525267890.db2.gz ONDSPJHHNOCYKT-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000311104974 525281885 /nfs/dbraw/zinc/28/18/85/525281885.db2.gz LBAXBTVMRYOPOK-LLVKDONJSA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000062726283 525369411 /nfs/dbraw/zinc/36/94/11/525369411.db2.gz YFIARLGZEVSUCQ-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@]1(C)CCCO1 ZINC000340312750 525463936 /nfs/dbraw/zinc/46/39/36/525463936.db2.gz NODLWOXBQPMHIH-DOMZBBRYSA-N 1 0 278.352 2.685 20 5 CFBDRO CSCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361584909 525498863 /nfs/dbraw/zinc/49/88/63/525498863.db2.gz OLUFQQVOYBHVJR-SNVBAGLBSA-N 1 0 254.355 2.951 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000050443432 525523340 /nfs/dbraw/zinc/52/33/40/525523340.db2.gz DCPOQMXFIIEYMQ-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1ccc([C@@H](C)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000054111056 525724963 /nfs/dbraw/zinc/72/49/63/525724963.db2.gz LGYSHQXJXVVZSE-CYBMUJFWSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000088719022 526061626 /nfs/dbraw/zinc/06/16/26/526061626.db2.gz CEZWYMMDZNLYJT-NSHDSACASA-N 1 0 263.341 2.798 20 5 CFBDRO CC(C)([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414811368 527257555 /nfs/dbraw/zinc/25/75/55/527257555.db2.gz ZOPXQVSCDKWIDR-UHFFFAOYSA-N 1 0 289.335 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCC[NH2+]3)ccc2c1 ZINC000166911910 527381668 /nfs/dbraw/zinc/38/16/68/527381668.db2.gz QRMHDBDCPLSESJ-GFCCVEGCSA-N 1 0 286.335 2.697 20 5 CFBDRO CC(C)C1(C)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000426746290 527597853 /nfs/dbraw/zinc/59/78/53/527597853.db2.gz XWFWQAMSGPXFCN-UHFFFAOYSA-N 1 0 280.372 2.586 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000449774211 536527867 /nfs/dbraw/zinc/52/78/67/536527867.db2.gz KAFWWFVKBFGRGW-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO CCC[C@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423241656 528222201 /nfs/dbraw/zinc/22/22/01/528222201.db2.gz VARZMTAMIVTIGN-ZFWWWQNUSA-N 1 0 277.368 2.778 20 5 CFBDRO CCC[NH2+]CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423310320 528514148 /nfs/dbraw/zinc/51/41/48/528514148.db2.gz NHLDQDJSEOBKEX-OAHLLOKOSA-N 1 0 277.368 2.561 20 5 CFBDRO CC[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413167259 528970335 /nfs/dbraw/zinc/97/03/35/528970335.db2.gz JRQCZKWCJGWIQF-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CCC[C@@H](NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423181802 529003765 /nfs/dbraw/zinc/00/37/65/529003765.db2.gz JNRHODGDYOSLCQ-OAHLLOKOSA-N 1 0 277.368 2.778 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413093552 529025619 /nfs/dbraw/zinc/02/56/19/529025619.db2.gz OIAUCHFUKMPNFP-LLVKDONJSA-N 1 0 296.346 2.661 20 5 CFBDRO CC[C@@H](O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000422085663 529231957 /nfs/dbraw/zinc/23/19/57/529231957.db2.gz MVYSGQCOOONOHG-CYBMUJFWSA-N 1 0 290.319 2.715 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000452017679 535753082 /nfs/dbraw/zinc/75/30/82/535753082.db2.gz KYUALLGAJZBSAD-TZMCWYRMSA-N 1 0 294.351 2.521 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000459798864 536803444 /nfs/dbraw/zinc/80/34/44/536803444.db2.gz YDUJRPDICKCYSF-MNOVXSKESA-N 1 0 282.365 2.704 20 5 CFBDRO CC(C)(C)C(=O)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000753745067 574074161 /nfs/dbraw/zinc/07/41/61/574074161.db2.gz DYLQQSZQPGZRKK-UHFFFAOYSA-N 1 0 290.363 2.958 20 5 CFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000754539282 574101410 /nfs/dbraw/zinc/10/14/10/574101410.db2.gz NVIAMBWPUZLKBO-GWCFXTLKSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000754662200 574111966 /nfs/dbraw/zinc/11/19/66/574111966.db2.gz KZMLZRRXAFSSMU-SNVBAGLBSA-N 1 0 280.353 2.512 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000755067861 574135030 /nfs/dbraw/zinc/13/50/30/574135030.db2.gz URUQFXABMPIGDZ-WCQYABFASA-N 1 0 262.309 2.588 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000749282405 574288165 /nfs/dbraw/zinc/28/81/65/574288165.db2.gz SWZPKFZOCLABGL-VHSXEESVSA-N 1 0 269.370 2.941 20 5 CFBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000751472636 574377706 /nfs/dbraw/zinc/37/77/06/574377706.db2.gz VJZFCNWWSHJZAK-UHFFFAOYSA-N 1 0 263.297 2.966 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OCC1CC[NH2+]CC1 ZINC000097361691 617660047 /nfs/dbraw/zinc/66/00/47/617660047.db2.gz LPZMBPJLEKYDGC-UHFFFAOYSA-N 1 0 288.706 2.766 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913200 617814412 /nfs/dbraw/zinc/81/44/12/617814412.db2.gz RPCDSLQBNRJAQI-CYBMUJFWSA-N 1 0 293.392 2.707 20 5 CFBDRO Cc1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000804813221 617895352 /nfs/dbraw/zinc/89/53/52/617895352.db2.gz PSOCSVXFKLYIGC-ZIAGYGMSSA-N 1 0 289.379 2.966 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000084439908 617920604 /nfs/dbraw/zinc/92/06/04/617920604.db2.gz SPNXQLWAZNWYNS-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934236067 617972702 /nfs/dbraw/zinc/97/27/02/617972702.db2.gz YHBMKNDHMZJBFL-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)CCC2CC2)c1[N+](=O)[O-] ZINC000892234330 618017894 /nfs/dbraw/zinc/01/78/94/618017894.db2.gz DCTVNFHQJJCIBK-UHFFFAOYSA-N 1 0 280.324 2.541 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000176332585 618059395 /nfs/dbraw/zinc/05/93/95/618059395.db2.gz ALDPJHFQIZPBBW-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000050373044 618093682 /nfs/dbraw/zinc/09/36/82/618093682.db2.gz HYUGMTJPAQOYNA-OCCSQVGLSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000050368523 618116897 /nfs/dbraw/zinc/11/68/97/618116897.db2.gz BEICYZFPTKDMJZ-SUHUHFCYSA-N 1 0 264.325 2.813 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000050370814 618116971 /nfs/dbraw/zinc/11/69/71/618116971.db2.gz RTIPWWWPMQCDLS-CHWSQXEVSA-N 1 0 284.743 2.905 20 5 CFBDRO COc1cc([N+](=O)[O-])cnc1NCC[NH+](C(C)C)C(C)C ZINC000891449500 618215004 /nfs/dbraw/zinc/21/50/04/618215004.db2.gz CKZNOMKNJTXLKD-UHFFFAOYSA-N 1 0 296.371 2.529 20 5 CFBDRO C[C@@H]([NH3+])[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925595841 618281784 /nfs/dbraw/zinc/28/17/84/618281784.db2.gz SYHUYEFMYIGCEM-WBMJQRKESA-N 1 0 285.347 2.773 20 5 CFBDRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893327657 618366314 /nfs/dbraw/zinc/36/63/14/618366314.db2.gz DLGLKGFFFYURRH-JQWIXIFHSA-N 1 0 299.168 2.858 20 5 CFBDRO Cc1cc(N2CC[C@H](CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895328200 618534870 /nfs/dbraw/zinc/53/48/70/618534870.db2.gz FIEAMYQKULTEPU-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO C[NH+](C)CC[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000895330089 618537461 /nfs/dbraw/zinc/53/74/61/618537461.db2.gz NWMCCKLPCHVBEY-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC(C)(C)F)c1[N+](=O)[O-] ZINC000895370403 618553790 /nfs/dbraw/zinc/55/37/90/618553790.db2.gz JHYHWLUIYHOLRG-UHFFFAOYSA-N 1 0 286.303 2.537 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CCC[NH2+]CC1 ZINC000236185226 618608806 /nfs/dbraw/zinc/60/88/06/618608806.db2.gz HDTWZDJBRJPEOA-MRVPVSSYSA-N 1 0 287.722 2.941 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000892620691 618658018 /nfs/dbraw/zinc/65/80/18/618658018.db2.gz DDBFADMVKYJKOY-LLVKDONJSA-N 1 0 288.351 2.970 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1F ZINC000832348758 625294713 /nfs/dbraw/zinc/29/47/13/625294713.db2.gz RCAQDHBHBRYQDE-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000893220081 618891841 /nfs/dbraw/zinc/89/18/41/618891841.db2.gz JQWPSABQOIJRBW-LLVKDONJSA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581911 618931267 /nfs/dbraw/zinc/93/12/67/618931267.db2.gz OPFIKUIUKYPZCY-GXTWGEPZSA-N 1 0 264.325 2.503 20 5 CFBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931395415 618960612 /nfs/dbraw/zinc/96/06/12/618960612.db2.gz QNSKSRJRIDNSJX-BETUJISGSA-N 1 0 295.770 2.527 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000092971864 618972245 /nfs/dbraw/zinc/97/22/45/618972245.db2.gz GJMREWUHLHMDSO-TZMCWYRMSA-N 1 0 278.352 2.639 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632777 619041207 /nfs/dbraw/zinc/04/12/07/619041207.db2.gz YXWQOGSYJYSWJA-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980384 619210141 /nfs/dbraw/zinc/21/01/41/619210141.db2.gz YKRNPQBOKATABF-PWSUYJOCSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055864 619316537 /nfs/dbraw/zinc/31/65/37/619316537.db2.gz NQZCZUHRISYCPJ-VXGBXAGGSA-N 1 0 266.345 2.649 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000894847192 619481688 /nfs/dbraw/zinc/48/16/88/619481688.db2.gz ACJZXJHINJBQPQ-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000894849673 619483070 /nfs/dbraw/zinc/48/30/70/619483070.db2.gz QWPRUQGMGAHKAK-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CC=CCC2)c1[N+](=O)[O-] ZINC000894867518 619491192 /nfs/dbraw/zinc/49/11/92/619491192.db2.gz OCOVDQJAQFMHQG-HNNXBMFYSA-N 1 0 292.335 2.897 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000895009801 619525196 /nfs/dbraw/zinc/52/51/96/619525196.db2.gz JWDKCXAUSDEJMA-GHMZBOCLSA-N 1 0 294.351 2.929 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737279 619597417 /nfs/dbraw/zinc/59/74/17/619597417.db2.gz PCAPUGFVMMWNJK-GWCFXTLKSA-N 1 0 286.335 2.648 20 5 CFBDRO C[N@@H+]1CC[C@@H]1CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000895771260 619603083 /nfs/dbraw/zinc/60/30/83/619603083.db2.gz WTNLSKOVYGNDJE-SECBINFHSA-N 1 0 289.257 2.730 20 5 CFBDRO C[N@@H+]1CC[C@H]1CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000895771261 619603341 /nfs/dbraw/zinc/60/33/41/619603341.db2.gz WTNLSKOVYGNDJE-VIFPVBQESA-N 1 0 289.257 2.730 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC3(CCC3)CO2)cc1 ZINC000895791336 619607703 /nfs/dbraw/zinc/60/77/03/619607703.db2.gz QVUWPNUALHKNEK-OAHLLOKOSA-N 1 0 290.363 2.686 20 5 CFBDRO CC(C)[C@@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000798819606 620095283 /nfs/dbraw/zinc/09/52/83/620095283.db2.gz CEFBQBWKIVYJPT-FZMZJTMJSA-N 1 0 294.351 2.785 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000740861705 620152394 /nfs/dbraw/zinc/15/23/94/620152394.db2.gz XYUYGKCMWSJSHN-WDEREUQCSA-N 1 0 274.324 2.632 20 5 CFBDRO CO[C@@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897461369 620176604 /nfs/dbraw/zinc/17/66/04/620176604.db2.gz NQNAROCENLORCC-ABAIWWIYSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897460152 620176626 /nfs/dbraw/zinc/17/66/26/620176626.db2.gz FHXIZYYVRGHDQT-RYUDHWBXSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000897460853 620176850 /nfs/dbraw/zinc/17/68/50/620176850.db2.gz KAZIJMVAHAKXRT-LLVKDONJSA-N 1 0 287.319 2.589 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465935 620177120 /nfs/dbraw/zinc/17/71/20/620177120.db2.gz LGBUNMTXWZFXFD-WDEREUQCSA-N 1 0 266.366 2.793 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000897464842 620177161 /nfs/dbraw/zinc/17/71/61/620177161.db2.gz PFGTUEQHPWSKJM-JHJVBQTASA-N 1 0 278.352 2.713 20 5 CFBDRO CCOC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463653 620177224 /nfs/dbraw/zinc/17/72/24/620177224.db2.gz AZTVWXWVITWFIR-NEPJUHHUSA-N 1 0 266.341 2.713 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000841756346 620249935 /nfs/dbraw/zinc/24/99/35/620249935.db2.gz VEKFDNOLSNOSAI-WCQYABFASA-N 1 0 295.383 2.889 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000897683584 620271398 /nfs/dbraw/zinc/27/13/98/620271398.db2.gz FDZLNMQYDGKCBZ-IAQYHMDHSA-N 1 0 278.352 2.531 20 5 CFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565054 625417062 /nfs/dbraw/zinc/41/70/62/625417062.db2.gz NGIKUIUUUAWWNS-FZMZJTMJSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1ncccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000898250565 620357029 /nfs/dbraw/zinc/35/70/29/620357029.db2.gz UHCRFUGVBBWLOB-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000898304536 620368695 /nfs/dbraw/zinc/36/86/95/620368695.db2.gz FYNGHMKFZMJGBN-UHFFFAOYSA-N 1 0 295.364 2.967 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH+](C)C ZINC000898309755 620370897 /nfs/dbraw/zinc/37/08/97/620370897.db2.gz OPEBCVWXRBVGPH-UHFFFAOYSA-N 1 0 279.384 2.614 20 5 CFBDRO C[C@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCC[NH2+]C1 ZINC000841058385 620423087 /nfs/dbraw/zinc/42/30/87/620423087.db2.gz WWEONBUWYZWBCB-AWEZNQCLSA-N 1 0 297.786 2.728 20 5 CFBDRO CCOCCOCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000927089883 620451709 /nfs/dbraw/zinc/45/17/09/620451709.db2.gz IVGVAOZJMPXFLO-ZDUSSCGKSA-N 1 0 296.367 2.607 20 5 CFBDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000927097330 620452868 /nfs/dbraw/zinc/45/28/68/620452868.db2.gz UQAYWHXTVKQDCW-WCQYABFASA-N 1 0 295.383 2.746 20 5 CFBDRO Cc1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000899325372 620545601 /nfs/dbraw/zinc/54/56/01/620545601.db2.gz WCKXCZDVTJZCOS-OAHLLOKOSA-N 1 0 268.316 2.996 20 5 CFBDRO Cc1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000899325371 620545694 /nfs/dbraw/zinc/54/56/94/620545694.db2.gz WCKXCZDVTJZCOS-HNNXBMFYSA-N 1 0 268.316 2.996 20 5 CFBDRO CCC[C@@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414472 621084581 /nfs/dbraw/zinc/08/45/81/621084581.db2.gz BFTCSYSSBGDBPW-CYBMUJFWSA-N 1 0 263.341 2.517 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903100163 621252945 /nfs/dbraw/zinc/25/29/45/621252945.db2.gz QZVCRUJJHJSVGF-SRVKXCTJSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903096842 621259237 /nfs/dbraw/zinc/25/92/37/621259237.db2.gz LVZDWBKQEOYMJL-ABAIWWIYSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903121342 621260571 /nfs/dbraw/zinc/26/05/71/621260571.db2.gz QXSDGYVWTLXBSE-ONGXEEELSA-N 1 0 282.365 2.760 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000903126531 621262341 /nfs/dbraw/zinc/26/23/41/621262341.db2.gz DACBKNPBRKETGP-ZUZCIYMTSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCC[C@H](C)CO)cc([N+](=O)[O-])c1 ZINC000903129889 621263341 /nfs/dbraw/zinc/26/33/41/621263341.db2.gz JIHRSHBLLZROCI-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000903244786 621295759 /nfs/dbraw/zinc/29/57/59/621295759.db2.gz DIZREGCQZDPPOJ-VXGBXAGGSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245461 621296377 /nfs/dbraw/zinc/29/63/77/621296377.db2.gz MHPRUPRZBRZAPN-RYUDHWBXSA-N 1 0 288.351 2.783 20 5 CFBDRO COC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000903246206 621297604 /nfs/dbraw/zinc/29/76/04/621297604.db2.gz SFRBRLZJJXPFID-JSGCOSHPSA-N 1 0 280.368 2.959 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903253415 621299950 /nfs/dbraw/zinc/29/99/50/621299950.db2.gz JYUZMZICAZDUEU-HOVHJQPKSA-N 1 0 275.352 2.872 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287316 621318558 /nfs/dbraw/zinc/31/85/58/621318558.db2.gz NSWIAUXZTRSCDL-YRGRVCCFSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000903470247 621389394 /nfs/dbraw/zinc/38/93/94/621389394.db2.gz IVOUFQABXIFIPS-BXUZGUMPSA-N 1 0 275.352 2.530 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903471337 621389989 /nfs/dbraw/zinc/38/99/89/621389989.db2.gz IYDYZZDFYBAUJU-SWLSCSKDSA-N 1 0 289.379 2.838 20 5 CFBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000903844018 621454950 /nfs/dbraw/zinc/45/49/50/621454950.db2.gz ZMNSJFZYPRSMIZ-BIMULSAOSA-N 1 0 295.770 2.560 20 5 CFBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903853828 621456548 /nfs/dbraw/zinc/45/65/48/621456548.db2.gz HBBDUODISZRPOW-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO C[C@H](NCC[NH2+]C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000903988168 621499430 /nfs/dbraw/zinc/49/94/30/621499430.db2.gz ONSBRHYRYOOHLG-NSHDSACASA-N 1 0 265.357 2.634 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc([C@]3(O)CCC[NH2+]C3)cc2)cc1 ZINC000904796456 621649427 /nfs/dbraw/zinc/64/94/27/621649427.db2.gz KOTZOMVXZGREJU-KRWDZBQOSA-N 1 0 298.342 2.833 20 5 CFBDRO CCC[C@H](CCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905131320 621707353 /nfs/dbraw/zinc/70/73/53/621707353.db2.gz DSODIPHVBIXPBA-CQSZACIVSA-N 1 0 250.342 2.654 20 5 CFBDRO COc1cccc(-c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)c1 ZINC000905140196 621709260 /nfs/dbraw/zinc/70/92/60/621709260.db2.gz SZROSPMMCZYNPF-UHFFFAOYSA-N 1 0 286.331 2.729 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCCCc1ccc(Cl)s1 ZINC000905253807 621728357 /nfs/dbraw/zinc/72/83/57/621728357.db2.gz HHAFCJJOLYLBJK-UHFFFAOYSA-N 1 0 262.762 2.591 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000905286255 621738155 /nfs/dbraw/zinc/73/81/55/621738155.db2.gz ZDUDWXIVSZCGOA-UHFFFAOYSA-N 1 0 268.744 2.529 20 5 CFBDRO CC1(C)C[C@]1(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905428157 621769224 /nfs/dbraw/zinc/76/92/24/621769224.db2.gz ZBXJIRTWHFDAMV-DZGCQCFKSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905473901 621773720 /nfs/dbraw/zinc/77/37/20/621773720.db2.gz OGNUYIKLRLLCNP-YXLJTMCISA-N 1 0 290.363 2.510 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000905516705 621787759 /nfs/dbraw/zinc/78/77/59/621787759.db2.gz ALQTVRTXHBXROD-GVAFMPQTSA-N 1 0 290.363 2.654 20 5 CFBDRO C[C@H](C[NH2+]CC1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905644864 621817251 /nfs/dbraw/zinc/81/72/51/621817251.db2.gz SLDUZWKVTWZRMF-GFCCVEGCSA-N 1 0 278.352 2.593 20 5 CFBDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905852660 621888793 /nfs/dbraw/zinc/88/87/93/621888793.db2.gz MEHIOKHVESLWDE-NEPJUHHUSA-N 1 0 293.367 2.501 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOc1c(F)cccc1[N+](=O)[O-] ZINC000906503072 621998907 /nfs/dbraw/zinc/99/89/07/621998907.db2.gz NEBIXHSXOIQNNX-NSHDSACASA-N 1 0 282.315 2.987 20 5 CFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000820596116 622712158 /nfs/dbraw/zinc/71/21/58/622712158.db2.gz PMJHLTDJOCECQL-BXKDBHETSA-N 1 0 283.759 2.777 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CCO)CC2)c1 ZINC000157318445 623028294 /nfs/dbraw/zinc/02/82/94/623028294.db2.gz YWAKIAIBPWFYRD-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000226095928 623058564 /nfs/dbraw/zinc/05/85/64/623058564.db2.gz WVJNSENPFDEACQ-CYBMUJFWSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069151 623228241 /nfs/dbraw/zinc/22/82/41/623228241.db2.gz HDGGMYBWAMFNAS-HTQZYQBOSA-N 1 0 294.336 2.562 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000230669571 623289719 /nfs/dbraw/zinc/28/97/19/623289719.db2.gz NWAYSAORBFTGTP-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1Cl ZINC000827601212 624043258 /nfs/dbraw/zinc/04/32/58/624043258.db2.gz CPYLBLAUUJJNKQ-RYUDHWBXSA-N 1 0 296.754 2.717 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOc1ccc([N+](=O)[O-])cc1F ZINC000915664544 624093019 /nfs/dbraw/zinc/09/30/19/624093019.db2.gz LRQBXYKVSGGGLK-NSHDSACASA-N 1 0 282.315 2.987 20 5 CFBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000917082313 624307751 /nfs/dbraw/zinc/30/77/51/624307751.db2.gz PKBOKVJBHPUBAD-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829125558 624378767 /nfs/dbraw/zinc/37/87/67/624378767.db2.gz AEFZZZDGDZTFIT-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO [NH3+]CCCCCCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000830396720 624730404 /nfs/dbraw/zinc/73/04/04/624730404.db2.gz QTMCSOXDFFLAQP-UHFFFAOYSA-N 1 0 287.747 2.931 20 5 CFBDRO CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000179543406 624966928 /nfs/dbraw/zinc/96/69/28/624966928.db2.gz BNHBJSGJEYGXKX-UHFFFAOYSA-N 1 0 274.324 2.695 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000834905966 625918034 /nfs/dbraw/zinc/91/80/34/625918034.db2.gz XBRZRXTZDAUMPO-FTGAXOIBSA-N 1 0 293.367 2.641 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000788076930 625980187 /nfs/dbraw/zinc/98/01/87/625980187.db2.gz GHZIFHJVYSVEFS-UHFFFAOYSA-N 1 0 277.368 2.907 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000922515151 626301466 /nfs/dbraw/zinc/30/14/66/626301466.db2.gz KMGRRCIFSHODEZ-ZBFHGGJFSA-N 1 0 290.363 2.869 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000922556854 626310694 /nfs/dbraw/zinc/31/06/94/626310694.db2.gz GQLUBMAIAMQKEO-KLAHQYIXSA-N 1 0 289.379 2.680 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000922842131 626378078 /nfs/dbraw/zinc/37/80/78/626378078.db2.gz HRGCORVWLZILDN-PWSUYJOCSA-N 1 0 266.366 2.969 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536269 626479070 /nfs/dbraw/zinc/47/90/70/626479070.db2.gz AZLMCNRKVNXADQ-CJNGLKHVSA-N 1 0 289.379 2.874 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)C3CC3)C2)cc1 ZINC000839032283 626521334 /nfs/dbraw/zinc/52/13/34/626521334.db2.gz PSGMTNDBWBKUQK-GOEBONIOSA-N 1 0 290.363 2.545 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000839189337 626530297 /nfs/dbraw/zinc/53/02/97/626530297.db2.gz RFRZQGMTBLHGNT-UONOGXRCSA-N 1 0 294.326 2.781 20 5 CFBDRO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000749320313 626540631 /nfs/dbraw/zinc/54/06/31/626540631.db2.gz LPGPRMCKFLPWPO-SNVBAGLBSA-N 1 0 297.305 2.546 20 5 CFBDRO C[NH+](C)C[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000749320508 626540648 /nfs/dbraw/zinc/54/06/48/626540648.db2.gz WNSNBXXTVGTGBB-SNVBAGLBSA-N 1 0 299.321 2.651 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289362 626821723 /nfs/dbraw/zinc/82/17/23/626821723.db2.gz GJODUITUYTXYBN-SNVBAGLBSA-N 1 0 274.324 2.552 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOC2)cc1Cl ZINC000761519866 626842159 /nfs/dbraw/zinc/84/21/59/626842159.db2.gz JKQRVRXBNYYWCA-JTQLQIEISA-N 1 0 270.716 2.517 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764962406 627109431 /nfs/dbraw/zinc/10/94/31/627109431.db2.gz HYWVMFFJHMFTLT-JTQLQIEISA-N 1 0 274.324 2.552 20 5 CFBDRO CC[N@H+](CC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764991095 627110913 /nfs/dbraw/zinc/11/09/13/627110913.db2.gz QONQKCBNJDBNDC-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765080667 627117841 /nfs/dbraw/zinc/11/78/41/627117841.db2.gz RTZMBWBXCICARU-GFCCVEGCSA-N 1 0 288.351 2.942 20 5 CFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851854768 634559338 /nfs/dbraw/zinc/55/93/38/634559338.db2.gz XONDPNZBWCKFLH-AWEZNQCLSA-N 1 0 298.314 2.555 20 5 CFBDRO COC(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000851861635 634561819 /nfs/dbraw/zinc/56/18/19/634561819.db2.gz RGAKDRLWQGBUFZ-UHFFFAOYSA-N 1 0 294.351 2.568 20 5 CFBDRO CO[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000851869722 634564665 /nfs/dbraw/zinc/56/46/65/634564665.db2.gz PAAJGJGARSGONM-MRXNPFEDSA-N 1 0 290.363 2.768 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000768770274 627370536 /nfs/dbraw/zinc/37/05/36/627370536.db2.gz HLBSRYVHICTYHN-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000851896624 634577484 /nfs/dbraw/zinc/57/74/84/634577484.db2.gz KRHDLGRLGITZOS-SMDDNHRTSA-N 1 0 294.351 2.787 20 5 CFBDRO COC(CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000851908075 634583811 /nfs/dbraw/zinc/58/38/11/634583811.db2.gz ZDMAOPNEXKGVDB-NSHDSACASA-N 1 0 282.340 2.563 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000775679030 628054182 /nfs/dbraw/zinc/05/41/82/628054182.db2.gz LMPXDQHVFDMCCA-SECBINFHSA-N 1 0 255.343 2.553 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776271265 628124882 /nfs/dbraw/zinc/12/48/82/628124882.db2.gz JPPZANGZBWJTDW-HNNXBMFYSA-N 1 0 290.319 2.662 20 5 CFBDRO CCC[N@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579874 628160420 /nfs/dbraw/zinc/16/04/20/628160420.db2.gz PBFWLCLXIGIMHG-OAHLLOKOSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579526 628160571 /nfs/dbraw/zinc/16/05/71/628160571.db2.gz MOAWOBQTATZVPG-BXUZGUMPSA-N 1 0 290.319 2.914 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000776587110 628162400 /nfs/dbraw/zinc/16/24/00/628162400.db2.gz FCRMYSVARLLYHK-VBNZEHGJSA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593500 628163245 /nfs/dbraw/zinc/16/32/45/628163245.db2.gz XBPUZTSDLYIHAQ-HIFRSBDPSA-N 1 0 278.352 2.606 20 5 CFBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781980252 628594936 /nfs/dbraw/zinc/59/49/36/628594936.db2.gz FFQHFJLIVAFYIU-GOEBONIOSA-N 1 0 292.379 2.996 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCSC2)c1 ZINC000783524583 628716958 /nfs/dbraw/zinc/71/69/58/628716958.db2.gz HFNAQDTXPFTCHF-LBPRGKRZSA-N 1 0 266.366 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1Cl ZINC000783598091 628725351 /nfs/dbraw/zinc/72/53/51/628725351.db2.gz FHGBVAYMMKUCOX-LLVKDONJSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCSC2)cc1Cl ZINC000783638554 628729276 /nfs/dbraw/zinc/72/92/76/628729276.db2.gz QNZBRAGPTGMCKF-SECBINFHSA-N 1 0 272.757 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCOC2)cc1Cl ZINC000783667104 628732476 /nfs/dbraw/zinc/73/24/76/628732476.db2.gz NNBPEEKIQDQRNN-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679763 628733825 /nfs/dbraw/zinc/73/38/25/628733825.db2.gz RCKRELRKARCBKF-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO CCOC1CC(N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000805819598 628981178 /nfs/dbraw/zinc/98/11/78/628981178.db2.gz VXYITPSYWFVHEN-UHFFFAOYSA-N 1 0 282.315 2.733 20 5 CFBDRO Cc1cc(C(=O)OCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000787974182 629045267 /nfs/dbraw/zinc/04/52/67/629045267.db2.gz NANNEWGREGNIKO-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO CCOCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788549470 629081483 /nfs/dbraw/zinc/08/14/83/629081483.db2.gz WWCGQKJWMGPJKM-NSHDSACASA-N 1 0 281.356 2.644 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788564051 629082235 /nfs/dbraw/zinc/08/22/35/629082235.db2.gz RSYQJJAUPGKFLB-SECBINFHSA-N 1 0 261.281 2.621 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000788653910 629089376 /nfs/dbraw/zinc/08/93/76/629089376.db2.gz ZUROEKSRAKIKET-SNVBAGLBSA-N 1 0 273.292 2.546 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000788800995 629101080 /nfs/dbraw/zinc/10/10/80/629101080.db2.gz XIIIWVDIJRCPPC-LLVKDONJSA-N 1 0 287.319 2.589 20 5 CFBDRO CC[C@H](C)[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852290489 634712126 /nfs/dbraw/zinc/71/21/26/634712126.db2.gz JILHGKKEBCEYFJ-SMDDNHRTSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452252 629158208 /nfs/dbraw/zinc/15/82/08/629158208.db2.gz SBEJUGDXRCHSCZ-OQMKEHIESA-N 1 0 292.379 2.995 20 5 CFBDRO Cc1ccc(OC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000790881080 629269615 /nfs/dbraw/zinc/26/96/15/629269615.db2.gz UELVOGAJOILPLR-UHFFFAOYSA-N 1 0 297.270 2.770 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](CC2CC2)CC1 ZINC000791408367 629310508 /nfs/dbraw/zinc/31/05/08/629310508.db2.gz QUPGICNBYCXHGM-UHFFFAOYSA-N 1 0 295.770 2.780 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1Cl ZINC000793322479 629526556 /nfs/dbraw/zinc/52/65/56/629526556.db2.gz NFVDUQKJWHFKOS-LBPRGKRZSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000793537960 629565679 /nfs/dbraw/zinc/56/56/79/629565679.db2.gz ZFVPBEIUQLMEGE-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(C3CC3)CC2)cc1 ZINC000794893176 629700440 /nfs/dbraw/zinc/70/04/40/629700440.db2.gz DDGUIFDIAHZCRC-INIZCTEOSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533463 634773323 /nfs/dbraw/zinc/77/33/23/634773323.db2.gz UWVUEALCOSQIJN-WFASDCNBSA-N 1 0 296.342 2.700 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000796540685 629932432 /nfs/dbraw/zinc/93/24/32/629932432.db2.gz VROAKWLFKCWPLV-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000797526831 630076968 /nfs/dbraw/zinc/07/69/68/630076968.db2.gz YMBDUPVMBUPQCF-XHDPSFHLSA-N 1 0 276.336 2.526 20 5 CFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000800851063 630411181 /nfs/dbraw/zinc/41/11/81/630411181.db2.gz XBIZMOYWNQRBHW-RYUDHWBXSA-N 1 0 292.383 2.852 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCOC1 ZINC000801509939 630451993 /nfs/dbraw/zinc/45/19/93/630451993.db2.gz BRXWBMRGWOAATO-LBPRGKRZSA-N 1 0 282.315 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1F ZINC000801520918 630452429 /nfs/dbraw/zinc/45/24/29/630452429.db2.gz KLHACFIEIHCQLK-TZMCWYRMSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOC3)CC2)cc1F ZINC000801525862 630453056 /nfs/dbraw/zinc/45/30/56/630453056.db2.gz QOSDZMPNPFWJKK-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000040775374 649986657 /nfs/dbraw/zinc/98/66/57/649986657.db2.gz YFEBEARGEZAOPN-NSHDSACASA-N 1 0 286.759 2.745 20 5 CFBDRO CC(C)(C)C[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840149444 631057641 /nfs/dbraw/zinc/05/76/41/631057641.db2.gz IOHRJHSYYSWLLH-LLVKDONJSA-N 1 0 266.345 2.507 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840872241 631247221 /nfs/dbraw/zinc/24/72/21/631247221.db2.gz IOLJOHUNAGIQBP-PRULPYPASA-N 1 0 293.367 2.641 20 5 CFBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000809734644 631273954 /nfs/dbraw/zinc/27/39/54/631273954.db2.gz JCKNVCDFBONGTD-UHFFFAOYSA-N 1 0 289.335 2.770 20 5 CFBDRO [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028042 631309241 /nfs/dbraw/zinc/30/92/41/631309241.db2.gz JZQXQYXLNKHPMP-DGCLKSJQSA-N 1 0 297.786 2.855 20 5 CFBDRO CCCC[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841030563 631311342 /nfs/dbraw/zinc/31/13/42/631311342.db2.gz NOEMTEUTWQAJES-NSHDSACASA-N 1 0 285.775 2.855 20 5 CFBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841693209 631453362 /nfs/dbraw/zinc/45/33/62/631453362.db2.gz TYMOIQLRLCGJEV-RYUDHWBXSA-N 1 0 280.372 2.895 20 5 CFBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000811821879 631628216 /nfs/dbraw/zinc/62/82/16/631628216.db2.gz UEZWBYGCQXPMHU-CABCVRRESA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477401 631641779 /nfs/dbraw/zinc/64/17/79/631641779.db2.gz UMJDUZUMWMLHSE-CJNGLKHVSA-N 1 0 289.379 2.792 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477403 631642058 /nfs/dbraw/zinc/64/20/58/631642058.db2.gz UMJDUZUMWMLHSE-XJKSGUPXSA-N 1 0 289.379 2.792 20 5 CFBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635234 631688989 /nfs/dbraw/zinc/68/89/89/631688989.db2.gz LAQSRGGXLBWQQO-TZMCWYRMSA-N 1 0 292.383 2.897 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842929587 631784424 /nfs/dbraw/zinc/78/44/24/631784424.db2.gz NPNDVHYOLGWXPY-AUTRQRHGSA-N 1 0 281.381 2.722 20 5 CFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000812908206 631805639 /nfs/dbraw/zinc/80/56/39/631805639.db2.gz HCQBGHSHIWYYFG-CYBMUJFWSA-N 1 0 296.367 2.721 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843044084 631811926 /nfs/dbraw/zinc/81/19/26/631811926.db2.gz COPPWRJMDBPNNU-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000843055449 631818889 /nfs/dbraw/zinc/81/88/89/631818889.db2.gz JLNLABBRJMZCQD-ZDUSSCGKSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843361754 631937901 /nfs/dbraw/zinc/93/79/01/631937901.db2.gz QLVYOTOHZWWRBI-CYBMUJFWSA-N 1 0 295.770 2.575 20 5 CFBDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815645932 632304281 /nfs/dbraw/zinc/30/42/81/632304281.db2.gz UTVWGSJHPJATTO-IUCAKERBSA-N 1 0 255.293 2.576 20 5 CFBDRO CSC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000156690986 650062831 /nfs/dbraw/zinc/06/28/31/650062831.db2.gz GJBRVWSRJUCBBS-UHFFFAOYSA-N 1 0 268.382 2.869 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1OCC[NH+]1CCCCC1 ZINC000105830763 632394973 /nfs/dbraw/zinc/39/49/73/632394973.db2.gz JWGCWIFHEPXDFB-UHFFFAOYSA-N 1 0 268.288 2.599 20 5 CFBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817907509 632729048 /nfs/dbraw/zinc/72/90/48/632729048.db2.gz PUKGIOXANCCNHP-HZMBPMFUSA-N 1 0 297.786 2.868 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)c(F)c1F ZINC000818617238 632880871 /nfs/dbraw/zinc/88/08/71/632880871.db2.gz AYNXUIHPZNYDKM-UHFFFAOYSA-N 1 0 286.278 2.642 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000818967618 632917428 /nfs/dbraw/zinc/91/74/28/632917428.db2.gz XCQMGWXXBCWRRP-WMLDXEAASA-N 1 0 298.342 2.558 20 5 CFBDRO C[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCS1 ZINC000819152851 632987483 /nfs/dbraw/zinc/98/74/83/632987483.db2.gz CXXKHRZBZBRCBO-KBPBESRZSA-N 1 0 296.392 2.504 20 5 CFBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCS1 ZINC000819152852 632987778 /nfs/dbraw/zinc/98/77/78/632987778.db2.gz CXXKHRZBZBRCBO-KGLIPLIRSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2=CCCC2)c1 ZINC000819188981 633007774 /nfs/dbraw/zinc/00/77/74/633007774.db2.gz CBVZIOKGIOEXAL-HNNXBMFYSA-N 1 0 276.336 2.718 20 5 CFBDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819200094 633016825 /nfs/dbraw/zinc/01/68/25/633016825.db2.gz JMSTWQDHUKZZCN-GXTWGEPZSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2=CCCCC2)c1 ZINC000819336764 633089445 /nfs/dbraw/zinc/08/94/45/633089445.db2.gz IVVOJIFXCYCIBV-OAHLLOKOSA-N 1 0 276.336 2.718 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1ccccc1 ZINC000848514307 633270005 /nfs/dbraw/zinc/27/00/05/633270005.db2.gz LYANNEWAGRIWTR-RDJZCZTQSA-N 1 0 298.342 2.905 20 5 CFBDRO Cc1c(CNC(=[NH2+])N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000849021776 633465300 /nfs/dbraw/zinc/46/53/00/633465300.db2.gz HICADUYVQRQTNQ-NSHDSACASA-N 1 0 290.367 2.659 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C=CCC2)n1 ZINC000850508953 634024201 /nfs/dbraw/zinc/02/42/01/634024201.db2.gz MJQNEPDMDNLTJN-RWMBFGLXSA-N 1 0 276.340 2.583 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1SCCS1 ZINC000850561119 634053962 /nfs/dbraw/zinc/05/39/62/634053962.db2.gz LHXCTJDWLANPRV-NSHDSACASA-N 1 0 296.417 2.978 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000853575021 635038964 /nfs/dbraw/zinc/03/89/64/635038964.db2.gz XIDVZXPGZCWXQD-STQMWFEESA-N 1 0 298.346 2.758 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000853746350 635091556 /nfs/dbraw/zinc/09/15/56/635091556.db2.gz IAKMPGZHCYALLE-GFCCVEGCSA-N 1 0 292.383 2.831 20 5 CFBDRO CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000158645493 650232752 /nfs/dbraw/zinc/23/27/52/650232752.db2.gz HLPLCSMSIYPAGE-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000048449266 650267049 /nfs/dbraw/zinc/26/70/49/650267049.db2.gz LNILIJOSOGICCW-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1Cl ZINC000860130797 636795796 /nfs/dbraw/zinc/79/57/96/636795796.db2.gz KNURUMWYRMBIGA-ZLKJLUDKSA-N 1 0 296.754 2.593 20 5 CFBDRO Cc1c(F)nccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000862292014 637316289 /nfs/dbraw/zinc/31/62/89/637316289.db2.gz XCQAHWBYKTWTLW-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000862529518 637409241 /nfs/dbraw/zinc/40/92/41/637409241.db2.gz MJOJJHFOVFIFQZ-FZMZJTMJSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119000969 637457572 /nfs/dbraw/zinc/45/75/72/637457572.db2.gz SSXZMWRGMJRJNQ-CYBMUJFWSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1nn(C[NH+](C2CC2)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000863302267 637621512 /nfs/dbraw/zinc/62/15/12/637621512.db2.gz ASMCQYKWSZJTMD-UHFFFAOYSA-N 1 0 286.335 2.837 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000863642917 637724136 /nfs/dbraw/zinc/72/41/36/637724136.db2.gz CKUGHIKTUDHJIW-CYBMUJFWSA-N 1 0 295.770 2.622 20 5 CFBDRO CC[NH2+][C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000863676641 637740447 /nfs/dbraw/zinc/74/04/47/637740447.db2.gz CFEAZCOZVTVLBX-VIFPVBQESA-N 1 0 276.296 2.624 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2C[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000865734299 638542691 /nfs/dbraw/zinc/54/26/91/638542691.db2.gz ROEHOWHKXCEEIX-XYPYZODXSA-N 1 0 282.365 2.587 20 5 CFBDRO Cc1ccc(CNCc2c(Cl)cnn2C)cc1[N+](=O)[O-] ZINC000865788137 638574688 /nfs/dbraw/zinc/57/46/88/638574688.db2.gz ZPRBWKZCDNJRRL-UHFFFAOYSA-N 1 0 294.742 2.580 20 5 CFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)C[C@H]21 ZINC000865856499 638617009 /nfs/dbraw/zinc/61/70/09/638617009.db2.gz QHFFJGUYYJFAPD-PJXYFTJBSA-N 1 0 297.305 2.529 20 5 CFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)CCC1(C)C ZINC000866114860 638743762 /nfs/dbraw/zinc/74/37/62/638743762.db2.gz RPMFGPGADYJTEF-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207717 638770451 /nfs/dbraw/zinc/77/04/51/638770451.db2.gz JDYATYMFMBMXQR-PWSUYJOCSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207954 638770897 /nfs/dbraw/zinc/77/08/97/638770897.db2.gz RYJRNHUYSPJNPO-PWSUYJOCSA-N 1 0 295.770 2.779 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCO1 ZINC000866243361 638778563 /nfs/dbraw/zinc/77/85/63/638778563.db2.gz QMKFCDNKAIQTKY-SMDDNHRTSA-N 1 0 296.342 2.824 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866254070 638781184 /nfs/dbraw/zinc/78/11/84/638781184.db2.gz KVILJUAKGNIJTM-MNOVXSKESA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000866281869 638788793 /nfs/dbraw/zinc/78/87/93/638788793.db2.gz VOVFPKSROMTJRX-IAQYHMDHSA-N 1 0 296.342 2.824 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC1CCC1 ZINC000866322245 638796785 /nfs/dbraw/zinc/79/67/85/638796785.db2.gz WSTHOELFTXERGB-NSHDSACASA-N 1 0 296.342 2.824 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC=CO1 ZINC000866343806 638800088 /nfs/dbraw/zinc/80/00/88/638800088.db2.gz ODFZRKGFZWWOSS-BXUZGUMPSA-N 1 0 294.326 2.947 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866362779 638804391 /nfs/dbraw/zinc/80/43/91/638804391.db2.gz DHFMBKJRZBLLJG-NEPJUHHUSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000866447494 638823756 /nfs/dbraw/zinc/82/37/56/638823756.db2.gz JWUOVFDYIRMERP-NJBDSQKTSA-N 1 0 296.342 2.820 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021416 641552632 /nfs/dbraw/zinc/55/26/32/641552632.db2.gz PFAXZISLNMDTKH-GHMZBOCLSA-N 1 0 282.315 2.954 20 5 CFBDRO CC[N@@H+]1CC[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025942 641556246 /nfs/dbraw/zinc/55/62/46/641556246.db2.gz WBBGXIZRNZPQOG-VXGBXAGGSA-N 1 0 295.358 2.726 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000872030814 641560838 /nfs/dbraw/zinc/56/08/38/641560838.db2.gz CPBUTQHVRZUHGU-WDEREUQCSA-N 1 0 295.408 2.671 20 5 CFBDRO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036324 641568277 /nfs/dbraw/zinc/56/82/77/641568277.db2.gz RKHBWRUDVJEPMF-VXGBXAGGSA-N 1 0 295.358 2.726 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040749 641574759 /nfs/dbraw/zinc/57/47/59/641574759.db2.gz BTQWEKHFECJXSP-MNOVXSKESA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043054 641577896 /nfs/dbraw/zinc/57/78/96/641577896.db2.gz VNEDJLFDYGWBDM-QMTHXVAHSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051348 641585049 /nfs/dbraw/zinc/58/50/49/641585049.db2.gz JJZBGQJIGBEBLQ-MWLCHTKSSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062590 641594385 /nfs/dbraw/zinc/59/43/85/641594385.db2.gz NNILNNSVJQBBRM-QWRGUYRKSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872064146 641596985 /nfs/dbraw/zinc/59/69/85/641596985.db2.gz CKDRGBFSNHUEIC-GVXVVHGQSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066818 641599100 /nfs/dbraw/zinc/59/91/00/641599100.db2.gz QZMKGJKYLXJXIU-NHCYSSNCSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068425 641600141 /nfs/dbraw/zinc/60/01/41/641600141.db2.gz XLVLGTPGCBXZQO-ZJUUUORDSA-N 1 0 270.304 2.546 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072402 641603257 /nfs/dbraw/zinc/60/32/57/641603257.db2.gz FJXYXZZPGHSILN-BBBLOLIVSA-N 1 0 270.304 2.808 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074872 641606742 /nfs/dbraw/zinc/60/67/42/641606742.db2.gz JUGLUHZMEUVLOU-BXKDBHETSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076292 641608399 /nfs/dbraw/zinc/60/83/99/641608399.db2.gz YVDCVLDNAXHIEF-MNOVXSKESA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC12CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872082029 641615269 /nfs/dbraw/zinc/61/52/69/641615269.db2.gz NRMIWGLJMDKTNG-KWQFWETISA-N 1 0 250.273 2.937 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872084117 641617861 /nfs/dbraw/zinc/61/78/61/641617861.db2.gz DPHNOXGWFZNOLK-MWLCHTKSSA-N 1 0 284.381 2.738 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083874 641617913 /nfs/dbraw/zinc/61/79/13/641617913.db2.gz BSAVATYGWQKYNJ-BIMULSAOSA-N 1 0 294.326 2.688 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094984 641627072 /nfs/dbraw/zinc/62/70/72/641627072.db2.gz QKFKPFFEGGETNE-OUAUKWLOSA-N 1 0 284.331 2.934 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCCS2)c1 ZINC000872223634 641708617 /nfs/dbraw/zinc/70/86/17/641708617.db2.gz MBKXMGXRAORLTD-KGLIPLIRSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[C@H]2C=CCC2)c1 ZINC000872248818 641716777 /nfs/dbraw/zinc/71/67/77/641716777.db2.gz WXIQFZXKEFKZDH-BBRMVZONSA-N 1 0 290.363 2.964 20 5 CFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(C)n2)CCCCC1 ZINC000872629832 641881202 /nfs/dbraw/zinc/88/12/02/641881202.db2.gz SBVCMAGVNVTMER-UHFFFAOYSA-N 1 0 278.356 2.632 20 5 CFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872780724 641934616 /nfs/dbraw/zinc/93/46/16/641934616.db2.gz MTYCVWKWAVLUJW-RYUDHWBXSA-N 1 0 295.770 2.921 20 5 CFBDRO Cc1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781389 641936376 /nfs/dbraw/zinc/93/63/76/641936376.db2.gz SMXKJZCNSLVVME-QWHCGFSZSA-N 1 0 275.352 2.576 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873029451 641989439 /nfs/dbraw/zinc/98/94/39/641989439.db2.gz HRQAELGNAJBPSK-UHFFFAOYSA-N 1 0 280.368 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CCOC1 ZINC000873049637 641995497 /nfs/dbraw/zinc/99/54/97/641995497.db2.gz JTAFNMHWXQQILN-HNNXBMFYSA-N 1 0 278.352 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)C[C@H](C)O ZINC000873058506 641998433 /nfs/dbraw/zinc/99/84/33/641998433.db2.gz PKTNTZWBVCSTKJ-PWSUYJOCSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1c(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000873072423 642004120 /nfs/dbraw/zinc/00/41/20/642004120.db2.gz WYUWFDMTOJNKHM-CVEARBPZSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1c(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000873072425 642004529 /nfs/dbraw/zinc/00/45/29/642004529.db2.gz WYUWFDMTOJNKHM-HZPDHXFCSA-N 1 0 292.379 2.934 20 5 CFBDRO CC[C@H](CCO)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873075104 642005737 /nfs/dbraw/zinc/00/57/37/642005737.db2.gz VHASFSQJFYOQCY-CYBMUJFWSA-N 1 0 280.368 2.710 20 5 CFBDRO Cc1cc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000873080913 642007677 /nfs/dbraw/zinc/00/76/77/642007677.db2.gz VZUVIONKVOWTAQ-SNVBAGLBSA-N 1 0 288.351 2.656 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@@H](C)CO ZINC000873098980 642013117 /nfs/dbraw/zinc/01/31/17/642013117.db2.gz XKPRHZYEVLMKIZ-LLVKDONJSA-N 1 0 280.368 2.710 20 5 CFBDRO COCCC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000873118096 642018285 /nfs/dbraw/zinc/01/82/85/642018285.db2.gz VTVUPTDQFOSWDK-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000873126181 642020099 /nfs/dbraw/zinc/02/00/99/642020099.db2.gz OYTFSFASPSAVLV-AAEUAGOBSA-N 1 0 278.352 2.665 20 5 CFBDRO CC[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873127004 642020595 /nfs/dbraw/zinc/02/05/95/642020595.db2.gz GGBRQRCQXIYCBI-GFCCVEGCSA-N 1 0 266.341 2.726 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cccc1[N+](=O)[O-] ZINC000873156826 642039718 /nfs/dbraw/zinc/03/97/18/642039718.db2.gz YZPJHRDGFFGYLY-NOLJZWGESA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229714 642081524 /nfs/dbraw/zinc/08/15/24/642081524.db2.gz FCRPHXPPKBTDKK-KBPBESRZSA-N 1 0 295.770 2.622 20 5 CFBDRO CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000873253576 642099670 /nfs/dbraw/zinc/09/96/70/642099670.db2.gz ZECYIVIVVNPKEP-KGLIPLIRSA-N 1 0 277.368 2.523 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000085986348 650794036 /nfs/dbraw/zinc/79/40/36/650794036.db2.gz YJCUKDYJEBRPCW-DZGCQCFKSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000876678474 642969333 /nfs/dbraw/zinc/96/93/33/642969333.db2.gz GDDZLBROVHMUNY-CQSZACIVSA-N 1 0 291.395 2.738 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000876751413 642994231 /nfs/dbraw/zinc/99/42/31/642994231.db2.gz YPAOCOQGXIHKOK-JSGCOSHPSA-N 1 0 292.379 2.947 20 5 CFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876893275 643054652 /nfs/dbraw/zinc/05/46/52/643054652.db2.gz FAXSNUHTZZERAX-NPZBDFSRSA-N 1 0 278.356 2.663 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000877022729 643108257 /nfs/dbraw/zinc/10/82/57/643108257.db2.gz QWPSHZFALFOHCY-GFCCVEGCSA-N 1 0 292.335 2.626 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H](C)C1 ZINC000877038053 643115529 /nfs/dbraw/zinc/11/55/29/643115529.db2.gz GUXDEWJNIUPGNQ-UJZIZYCTSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H](C)C1 ZINC000877038052 643115881 /nfs/dbraw/zinc/11/58/81/643115881.db2.gz GUXDEWJNIUPGNQ-BWDQXMCASA-N 1 0 292.383 2.909 20 5 CFBDRO CCSCC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877064107 643129256 /nfs/dbraw/zinc/12/92/56/643129256.db2.gz NCOCQGHCDFEXLG-UNXYVOJBSA-N 1 0 298.412 2.616 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H]1C ZINC000877337073 643241954 /nfs/dbraw/zinc/24/19/54/643241954.db2.gz NBIYJMIJGXPMTG-HEKVYRDFSA-N 1 0 292.383 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCC=CO3)nc2c1 ZINC000877460651 643281883 /nfs/dbraw/zinc/28/18/83/643281883.db2.gz VTBJHUVZWWQFFS-NSHDSACASA-N 1 0 289.291 2.518 20 5 CFBDRO CC[C@H]1CCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877562086 643360705 /nfs/dbraw/zinc/36/07/05/643360705.db2.gz OPYOZCUDROGPBC-MRFVTOPCSA-N 1 0 292.383 2.911 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C[C@H]3C3CCC3)C2)c1 ZINC000877598090 643389872 /nfs/dbraw/zinc/38/98/72/643389872.db2.gz HUXLMRXXZJZZHL-CLTVBZQCSA-N 1 0 290.367 2.521 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)C2)c1 ZINC000877631812 643416841 /nfs/dbraw/zinc/41/68/41/643416841.db2.gz WJVAZSPESOZHSZ-UJZIZYCTSA-N 1 0 290.367 2.521 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)c1 ZINC000877648524 643430985 /nfs/dbraw/zinc/43/09/85/643430985.db2.gz PBCTUXUMKCNIAT-LYGKVCMISA-N 1 0 290.367 2.521 20 5 CFBDRO COCC1(C2CC2)C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877685502 643454443 /nfs/dbraw/zinc/45/44/43/643454443.db2.gz ABRHYOOQXAOALC-UHFFFAOYSA-N 1 0 290.363 2.762 20 5 CFBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877691923 643458143 /nfs/dbraw/zinc/45/81/43/643458143.db2.gz XNZSWPQXRVRRRZ-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000877719108 643483601 /nfs/dbraw/zinc/48/36/01/643483601.db2.gz IIAGWGNNSDFHFP-OKILXGFUSA-N 1 0 258.321 2.993 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877736679 643495051 /nfs/dbraw/zinc/49/50/51/643495051.db2.gz ANAZOCNEWTWFDZ-STQMWFEESA-N 1 0 278.377 2.780 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827676 643593404 /nfs/dbraw/zinc/59/34/04/643593404.db2.gz IVCMMSCHQTWBEJ-UMNHJUIQSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000877827802 643593660 /nfs/dbraw/zinc/59/36/60/643593660.db2.gz RZSQAWPIKPWDDI-IFUGULHKSA-N 1 0 276.336 2.813 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000878416609 643884224 /nfs/dbraw/zinc/88/42/24/643884224.db2.gz MLBQXYLJWOWZLU-JTQLQIEISA-N 1 0 294.380 2.820 20 5 CFBDRO CCCCCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879274002 644203547 /nfs/dbraw/zinc/20/35/47/644203547.db2.gz LNUNGBKPCSPVBA-OAHLLOKOSA-N 1 0 280.368 2.972 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247186986 650899534 /nfs/dbraw/zinc/89/95/34/650899534.db2.gz SJYOHVZHORUDHY-GHMZBOCLSA-N 1 0 280.372 2.876 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000879322520 644227571 /nfs/dbraw/zinc/22/75/71/644227571.db2.gz WLFSFIMLBBNETE-AAEUAGOBSA-N 1 0 294.351 2.603 20 5 CFBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000879600966 644345774 /nfs/dbraw/zinc/34/57/74/644345774.db2.gz IXNWGVBVHNWKMG-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO C[C@H]1CC[NH2+][C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000127935768 644380118 /nfs/dbraw/zinc/38/01/18/644380118.db2.gz VDTGQQIVCPTYCH-JOYOIKCWSA-N 1 0 288.307 2.705 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880293056 644632068 /nfs/dbraw/zinc/63/20/68/644632068.db2.gz CYWNSZUUNGLAQH-NSHDSACASA-N 1 0 282.315 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880295771 644634897 /nfs/dbraw/zinc/63/48/97/644634897.db2.gz OTHWQXXWNJHZPD-LBPRGKRZSA-N 1 0 282.315 2.655 20 5 CFBDRO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000882016569 645177238 /nfs/dbraw/zinc/17/72/38/645177238.db2.gz ORAUJAIUAQHXTE-SECBINFHSA-N 1 0 284.335 2.517 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000882547359 645365609 /nfs/dbraw/zinc/36/56/09/645365609.db2.gz LLZJHEPMDQMFPH-CMPLNLGQSA-N 1 0 294.330 2.558 20 5 CFBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130674177 645546598 /nfs/dbraw/zinc/54/65/98/645546598.db2.gz MQWCZPFVCIEVIU-GFCCVEGCSA-N 1 0 266.345 2.649 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCC3(CC3)C2)cc1 ZINC000883186984 645649130 /nfs/dbraw/zinc/64/91/30/645649130.db2.gz CZRLIYXKRYTGNN-DZGCQCFKSA-N 1 0 290.363 2.941 20 5 CFBDRO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000883208102 645665766 /nfs/dbraw/zinc/66/57/66/645665766.db2.gz ZGYOGZSOEABPCV-YPMHNXCESA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883245725 645693134 /nfs/dbraw/zinc/69/31/34/645693134.db2.gz QHQMZKGSDCJYLR-GHMZBOCLSA-N 1 0 261.325 2.794 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000883263474 645708871 /nfs/dbraw/zinc/70/88/71/645708871.db2.gz VORLBJAHKWAMMW-ISYWIBNLSA-N 1 0 276.336 2.623 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cccc([N+](=O)[O-])c1C ZINC000800100834 646141036 /nfs/dbraw/zinc/14/10/36/646141036.db2.gz RDUNDDDEDCXKPI-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000800160213 646161595 /nfs/dbraw/zinc/16/15/95/646161595.db2.gz LZYVJMFRZZTABQ-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO Cc1cc(C(=O)OCCCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000133646379 646201647 /nfs/dbraw/zinc/20/16/47/646201647.db2.gz MYWFBXJNCXFOJN-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])c2ccccc21)[NH+](C)C ZINC000884555356 646447036 /nfs/dbraw/zinc/44/70/36/646447036.db2.gz POEXMRHENXDARX-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000135211830 646493256 /nfs/dbraw/zinc/49/32/56/646493256.db2.gz KXXSJQHRWWBTTP-UWVGGRQHSA-N 1 0 284.743 2.763 20 5 CFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000885973703 646791073 /nfs/dbraw/zinc/79/10/73/646791073.db2.gz YYBZCYVMNOKJRG-UHFFFAOYSA-N 1 0 261.325 2.610 20 5 CFBDRO CC(C)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886021523 646823943 /nfs/dbraw/zinc/82/39/43/646823943.db2.gz YCKHJMBEYZJZDM-UHFFFAOYSA-N 1 0 263.341 2.858 20 5 CFBDRO CC[C@H](CSC)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886105128 646874067 /nfs/dbraw/zinc/87/40/67/646874067.db2.gz SNXYZRQGOGGNMN-LLVKDONJSA-N 1 0 269.370 2.563 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000886111559 646877171 /nfs/dbraw/zinc/87/71/71/646877171.db2.gz DPBQSCMIJUDOEX-NOLJZWGESA-N 1 0 290.363 2.980 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886125187 646882993 /nfs/dbraw/zinc/88/29/93/646882993.db2.gz KUFDFNAPYSIKKO-LBPRGKRZSA-N 1 0 263.341 2.858 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886215425 646924789 /nfs/dbraw/zinc/92/47/89/646924789.db2.gz KDHAIJJMYHMNNU-BLLLJJGKSA-N 1 0 290.363 2.846 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000886249643 646936816 /nfs/dbraw/zinc/93/68/16/646936816.db2.gz PKDZASZKYZSZFY-LBPRGKRZSA-N 1 0 261.325 2.612 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c(F)c1 ZINC000886288702 646954996 /nfs/dbraw/zinc/95/49/96/646954996.db2.gz GDNBAIDLAPIDFJ-ZDUSSCGKSA-N 1 0 294.326 2.783 20 5 CFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886650329 647089437 /nfs/dbraw/zinc/08/94/37/647089437.db2.gz UMARLWYJPSUESK-SRVKXCTJSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886674834 647104853 /nfs/dbraw/zinc/10/48/53/647104853.db2.gz SEAOIAACJGBJPI-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(C3(O)CCC3)CCC2)c1 ZINC000886974389 647186297 /nfs/dbraw/zinc/18/62/97/647186297.db2.gz YJVAKWKJJNJJTD-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000924954710 648078982 /nfs/dbraw/zinc/07/89/82/648078982.db2.gz IHKGUMAOIHUCBW-YGONEPDPSA-N 1 0 290.363 2.685 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925310689 648155016 /nfs/dbraw/zinc/15/50/16/648155016.db2.gz OQKYUBXYTXSCGK-HOCLYGCPSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@H]1COC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925465113 648176309 /nfs/dbraw/zinc/17/63/09/648176309.db2.gz GRVZXLXYPQMBMQ-WFASDCNBSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H]1NCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571428 648222685 /nfs/dbraw/zinc/22/26/85/648222685.db2.gz HSZCDYXJKKCLLL-CZUORRHYSA-N 1 0 291.395 2.648 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cc1[N+](=O)[O-] ZINC000926796386 648619973 /nfs/dbraw/zinc/61/99/73/648619973.db2.gz NVRWRBWJLKWQOA-JYAVWHMHSA-N 1 0 278.352 2.664 20 5 CFBDRO CCSc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930215345 649208086 /nfs/dbraw/zinc/20/80/86/649208086.db2.gz SWKUUNQACWHSAB-JTQLQIEISA-N 1 0 254.355 2.726 20 5 CFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931043690 649370636 /nfs/dbraw/zinc/37/06/36/649370636.db2.gz UBZICSWVBJWQJW-MFKMUULPSA-N 1 0 297.786 2.773 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000931350662 649413343 /nfs/dbraw/zinc/41/33/43/649413343.db2.gz SGMXXYMSUMOBBZ-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432668 649425279 /nfs/dbraw/zinc/42/52/79/649425279.db2.gz ZBZJKXRYLCKDGG-AEGPPILISA-N 1 0 289.379 2.539 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2[nH+]ccc(N)c2C1 ZINC000931512812 649444606 /nfs/dbraw/zinc/44/46/06/649444606.db2.gz NNZPDQPPNIQKIC-NSHDSACASA-N 1 0 298.346 2.691 20 5 CFBDRO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123366 649752261 /nfs/dbraw/zinc/75/22/61/649752261.db2.gz AFXYKSOAWHOEIZ-ZLKJLUDKSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000934234172 649765001 /nfs/dbraw/zinc/76/50/01/649765001.db2.gz JPVUONWMCJCBQI-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001165052318 722000441 /nfs/dbraw/zinc/00/04/41/722000441.db2.gz PMDHTFNXQZEOME-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000690702409 770244886 /nfs/dbraw/zinc/24/48/86/770244886.db2.gz DWZYQVNJXJWERQ-LLVKDONJSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000689768662 770483638 /nfs/dbraw/zinc/48/36/38/770483638.db2.gz TUIFEZHFFXUVNW-YPMHNXCESA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000723949043 770718206 /nfs/dbraw/zinc/71/82/06/770718206.db2.gz DFXGZJBOALXVRO-RYUDHWBXSA-N 1 0 284.381 2.951 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cs1 ZINC000723996938 770738376 /nfs/dbraw/zinc/73/83/76/770738376.db2.gz QQBKVWBBEYPPCF-GXTWGEPZSA-N 1 0 296.392 2.951 20 5 CFBDRO C[N+](C)(C)CCCO[C@@H]1CCc2c1nccc2Cl ZINC001224619825 775228084 /nfs/dbraw/zinc/22/80/84/775228084.db2.gz RSIWWEKIUXBUGJ-CYBMUJFWSA-N 1 0 269.796 2.835 20 5 CFBDRO C[N+](C)(C)CCCO[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001224621364 775229381 /nfs/dbraw/zinc/22/93/81/775229381.db2.gz RZYDKTLHJACGRD-QAQDUYKDSA-N 1 0 278.416 2.847 20 5 CFBDRO C[N+](C)(C)CCCO[C@H]1CCc2cc(F)ccc21 ZINC001224621401 775229624 /nfs/dbraw/zinc/22/96/24/775229624.db2.gz SVQGJJGNHINXDQ-HNNXBMFYSA-N 1 0 252.353 2.926 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703936 775254196 /nfs/dbraw/zinc/25/41/96/775254196.db2.gz VRLDKEVXCUPAKT-HZPDHXFCSA-N 1 0 290.363 2.563 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OCCCC(=O)OCc1ccccc1 ZINC001224737360 775261741 /nfs/dbraw/zinc/26/17/41/775261741.db2.gz YCZDAORATGIWBS-OAHLLOKOSA-N 1 0 294.415 2.621 20 5 CFBDRO COc1ccc([C@@H](C)OCC[N+](C)(C)C)c(F)c1 ZINC001224772807 775269553 /nfs/dbraw/zinc/26/95/53/775269553.db2.gz BHTRCSURCCIOON-LLVKDONJSA-N 1 0 256.341 2.618 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1F ZINC001217981793 775417768 /nfs/dbraw/zinc/41/77/68/775417768.db2.gz QLZPUBMNOHZZCG-ZANVPECISA-N 1 0 286.278 2.511 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225430843 775454232 /nfs/dbraw/zinc/45/42/32/775454232.db2.gz HIRQSJDBJLOWAT-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO COc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC001225436702 775456095 /nfs/dbraw/zinc/45/60/95/775456095.db2.gz YGLGJYURQXSCEG-PTEHBNRSSA-N 1 0 292.335 2.607 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225579453 775509093 /nfs/dbraw/zinc/50/90/93/775509093.db2.gz UGGQFOCEKORUJE-LLVKDONJSA-N 1 0 268.288 2.595 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001225613097 775524047 /nfs/dbraw/zinc/52/40/47/775524047.db2.gz MYQVNAIXVNEMJZ-PJXYFTJBSA-N 1 0 292.335 2.607 20 5 CFBDRO O=[N+]([O-])c1ncccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225628452 775531830 /nfs/dbraw/zinc/53/18/30/775531830.db2.gz NCCNWQNNRBOBIO-CQSZACIVSA-N 1 0 299.330 2.643 20 5 CFBDRO Cc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001225632732 775533396 /nfs/dbraw/zinc/53/33/96/775533396.db2.gz NYHZBKNPSPVVLN-CLLJXQQHSA-N 1 0 276.336 2.907 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CO)CC2)ccc1Cl ZINC000293090859 775555097 /nfs/dbraw/zinc/55/50/97/775555097.db2.gz KIRTZEWCWDBFPT-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001225683029 775556529 /nfs/dbraw/zinc/55/65/29/775556529.db2.gz PHCBUFKPMISTOI-LBPRGKRZSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225711761 775569561 /nfs/dbraw/zinc/56/95/61/775569561.db2.gz AHWBMIRSFATRPS-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO COc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001225769966 775587266 /nfs/dbraw/zinc/58/72/66/775587266.db2.gz QKHFNBLEHSDGIO-PTEHBNRSSA-N 1 0 292.335 2.607 20 5 CFBDRO COc1ccc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001225769962 775587634 /nfs/dbraw/zinc/58/76/34/775587634.db2.gz QKAHSHOHKFBBQE-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778707 775590030 /nfs/dbraw/zinc/59/00/30/775590030.db2.gz JRNMTOSOERMPGZ-VIFPVBQESA-N 1 0 286.278 2.735 20 5 CFBDRO C[C@H]1[NH2+]C[C@@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218390393 775620393 /nfs/dbraw/zinc/62/03/93/775620393.db2.gz XQKUIYCFEQUVOP-FWOIEVBISA-N 1 0 277.107 2.641 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)c(F)cc(F)c1F ZINC001225882868 775622210 /nfs/dbraw/zinc/62/22/10/775622210.db2.gz WVGDMGDLMPXLKG-SSDOTTSWSA-N 1 0 266.258 2.717 20 5 CFBDRO CC[NH+]1CCC(Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226006294 775664886 /nfs/dbraw/zinc/66/48/86/775664886.db2.gz BGDUDEFJQGEFET-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226007356 775666213 /nfs/dbraw/zinc/66/62/13/775666213.db2.gz NALIWIWPHBNURB-SNVBAGLBSA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1ccnc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001226120805 775707552 /nfs/dbraw/zinc/70/75/52/775707552.db2.gz WWZRAONNZSGPTI-HAQNSBGRSA-N 1 0 279.340 2.550 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc([N+](=O)[O-])ccc1F ZINC001226269994 775763099 /nfs/dbraw/zinc/76/30/99/775763099.db2.gz LTVKDVODUDOFMC-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc([N+](=O)[O-])ccc1F ZINC001226269992 775763480 /nfs/dbraw/zinc/76/34/80/775763480.db2.gz LTVKDVODUDOFMC-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226364546 775790527 /nfs/dbraw/zinc/79/05/27/775790527.db2.gz OAWRPMOMLWFGGI-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cncc(C(F)(F)F)c1 ZINC001226480216 775839865 /nfs/dbraw/zinc/83/98/65/775839865.db2.gz DZHPNOGAFWUZRD-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226762559 775952918 /nfs/dbraw/zinc/95/29/18/775952918.db2.gz VGGNEHKDFUZYBK-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1OC1CN(C(C)(C)C)C1 ZINC001226969648 776038667 /nfs/dbraw/zinc/03/86/67/776038667.db2.gz RCSZHFVGPPBVLH-UHFFFAOYSA-N 1 0 264.325 2.765 20 5 CFBDRO CCCc1c(O)cccc1O[C@H](C)C[N+](C)(C)C ZINC001227148702 776115969 /nfs/dbraw/zinc/11/59/69/776115969.db2.gz WFGQGTWCFZVYCJ-GFCCVEGCSA-O 1 0 252.378 2.818 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152931 776117462 /nfs/dbraw/zinc/11/74/62/776117462.db2.gz GAFPBRPYLGXGNI-MRVPVSSYSA-N 1 0 288.706 2.860 20 5 CFBDRO COC(=O)c1ccc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227156377 776118946 /nfs/dbraw/zinc/11/89/46/776118946.db2.gz JWVFYGLPBUYSQK-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Cl)c(Cl)c1 ZINC001227229376 776147061 /nfs/dbraw/zinc/14/70/61/776147061.db2.gz VOOCGNAHEMKVOW-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227462413 776208960 /nfs/dbraw/zinc/20/89/60/776208960.db2.gz DYZFUWIWCMJUQS-JTQLQIEISA-N 1 0 297.311 2.612 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC001227483710 776212235 /nfs/dbraw/zinc/21/22/35/776212235.db2.gz CNRFBYOZBXZCHV-LBPRGKRZSA-N 1 0 264.325 2.846 20 5 CFBDRO COc1cc(Cl)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227897596 776322213 /nfs/dbraw/zinc/32/22/13/776322213.db2.gz WOLMQKURJWKVSO-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228016121 776364628 /nfs/dbraw/zinc/36/46/28/776364628.db2.gz AORFYZVBHUYKST-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135279 776405702 /nfs/dbraw/zinc/40/57/02/776405702.db2.gz DEQKDRLSUPVTJM-LLVKDONJSA-N 1 0 287.319 2.616 20 5 CFBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H](C)C[N+](C)(C)C ZINC001228450493 776494842 /nfs/dbraw/zinc/49/48/42/776494842.db2.gz KVIVIIMZGLWBPP-LLVKDONJSA-N 1 0 295.359 2.579 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NC1(CO)CCCC1 ZINC001167805303 776507279 /nfs/dbraw/zinc/50/72/79/776507279.db2.gz WFWGISKPUDQQLR-UHFFFAOYSA-N 1 0 277.432 3.000 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccnc1C(F)(F)F ZINC001228596130 776534768 /nfs/dbraw/zinc/53/47/68/776534768.db2.gz CXZSWLWHIHFIBA-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228759066 776600276 /nfs/dbraw/zinc/60/02/76/776600276.db2.gz SEIZXJMLSUVVOL-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001228758700 776600698 /nfs/dbraw/zinc/60/06/98/776600698.db2.gz JJZADZCFBVRTRW-CYBMUJFWSA-N 1 0 282.727 2.721 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228934123 776661357 /nfs/dbraw/zinc/66/13/57/776661357.db2.gz MGDCQXQUESRFTO-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc(C(C)=O)c1[N+](=O)[O-] ZINC001229132661 776728408 /nfs/dbraw/zinc/72/84/08/776728408.db2.gz VUVDMSJFKRDRKS-LLVKDONJSA-N 1 0 294.351 2.907 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229376880 776794306 /nfs/dbraw/zinc/79/43/06/776794306.db2.gz MUSRZHIBUXVFRA-JTQLQIEISA-N 1 0 270.716 2.721 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229881398 776909195 /nfs/dbraw/zinc/90/91/95/776909195.db2.gz VKSUOFQOHCDNPE-JTQLQIEISA-N 1 0 267.349 2.685 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001229883494 776909304 /nfs/dbraw/zinc/90/93/04/776909304.db2.gz VUPXFHGJEJJIRQ-HNNXBMFYSA-N 1 0 276.336 2.685 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(C)c2C)C1 ZINC001229882524 776909351 /nfs/dbraw/zinc/90/93/51/776909351.db2.gz OHUKLNXEBIHGSM-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C)c2C)C1 ZINC001229882526 776909889 /nfs/dbraw/zinc/90/98/89/776909889.db2.gz OHUKLNXEBIHGSM-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)cc1F ZINC001229894884 776912850 /nfs/dbraw/zinc/91/28/50/776912850.db2.gz LSKFBKDMSGPWRD-SNVBAGLBSA-N 1 0 271.312 2.516 20 5 CFBDRO CN1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230040929 776948141 /nfs/dbraw/zinc/94/81/41/776948141.db2.gz PRATXWNEGYEBOW-ZETCQYMHSA-N 1 0 291.134 2.985 20 5 CFBDRO COc1ccc2sc(O[C@@H](C)C[N+](C)(C)C)nc2c1 ZINC001230338835 776982069 /nfs/dbraw/zinc/98/20/69/776982069.db2.gz GUGCDKUZYISLGF-JTQLQIEISA-N 1 0 281.401 2.778 20 5 CFBDRO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC001230471665 776996024 /nfs/dbraw/zinc/99/60/24/776996024.db2.gz NLQSASWZSOLSKA-OAHLLOKOSA-N 1 0 276.336 2.685 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1ncc[nH]1 ZINC001230609602 777026532 /nfs/dbraw/zinc/02/65/32/777026532.db2.gz NPFODJVZQNAQDX-GFCCVEGCSA-N 1 0 260.361 2.550 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001231059589 777128845 /nfs/dbraw/zinc/12/88/45/777128845.db2.gz IXWUAINPAMDIDJ-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001225667125 777157361 /nfs/dbraw/zinc/15/73/61/777157361.db2.gz OQTJWFHBZRZVJM-XYPYZODXSA-N 1 0 282.315 2.986 20 5 CFBDRO Cc1cccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC000711687898 777228161 /nfs/dbraw/zinc/22/81/61/777228161.db2.gz BKOBYUHLEGLOAN-GXTWGEPZSA-N 1 0 261.325 2.600 20 5 CFBDRO Cc1cc(N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000894848085 777475207 /nfs/dbraw/zinc/47/52/07/777475207.db2.gz HRKWQMSMNREUPS-UHFFFAOYSA-N 1 0 283.397 2.885 20 5 CFBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217857 777479923 /nfs/dbraw/zinc/47/99/23/777479923.db2.gz AIRVWMGKTFHLNW-MLGOLLRUSA-N 1 0 293.370 2.738 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226254728 777488676 /nfs/dbraw/zinc/48/86/76/777488676.db2.gz CYBJPCFFTHDRAN-JTQLQIEISA-N 1 0 285.731 2.505 20 5 CFBDRO CCC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001226959078 777710612 /nfs/dbraw/zinc/71/06/12/777710612.db2.gz MSMPYACQZZMORI-GFCCVEGCSA-N 1 0 250.362 2.753 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001233574545 777996654 /nfs/dbraw/zinc/99/66/54/777996654.db2.gz JMYGISKCBZUOAX-JTQLQIEISA-N 1 0 297.311 2.612 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(OC2CC[NH+](C3CC3)CC2)cc1F ZINC001233598374 778007025 /nfs/dbraw/zinc/00/70/25/778007025.db2.gz ZIGFYGZGINWDHW-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OC(F)F)cc1 ZINC001233643619 778022176 /nfs/dbraw/zinc/02/21/76/778022176.db2.gz KSQLWSCQGGQRPK-SNVBAGLBSA-N 1 0 260.304 2.762 20 5 CFBDRO COc1cccc(Cl)c1O[C@@H](C)C[N+](C)(C)C ZINC001233671621 778033517 /nfs/dbraw/zinc/03/35/17/778033517.db2.gz QCDCLLMAEGVHBA-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO Cc1cccc(OC[C@@H]2CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC000697085071 778049268 /nfs/dbraw/zinc/04/92/68/778049268.db2.gz NADQMLUVFYJVBH-GFCCVEGCSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233770895 778073355 /nfs/dbraw/zinc/07/33/55/778073355.db2.gz RZGLUZONOWJNHE-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO CC(=O)c1ccc(C)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228351970 778078043 /nfs/dbraw/zinc/07/80/43/778078043.db2.gz MAGALJQHVMYQDK-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO Cc1cc(F)c(O[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234059186 778155087 /nfs/dbraw/zinc/15/50/87/778155087.db2.gz JCYGEFUNHKJXFQ-NSHDSACASA-N 1 0 282.315 2.904 20 5 CFBDRO O=[N+]([O-])c1cc2c(cc1NC1(c3ccccn3)CC1)C[NH2+]C2 ZINC001168150720 778164861 /nfs/dbraw/zinc/16/48/61/778164861.db2.gz GNZGIQVFWHDMOW-UHFFFAOYSA-N 1 0 296.330 2.694 20 5 CFBDRO Cc1c(NC2(C)CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC001168187263 778229448 /nfs/dbraw/zinc/22/94/48/778229448.db2.gz OWJBVKFUZBSNLV-UHFFFAOYSA-N 1 0 267.304 2.596 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OCCOC2CC2)cc1 ZINC001234538409 778246765 /nfs/dbraw/zinc/24/67/65/778246765.db2.gz KLEFIXURPXEOPY-CQSZACIVSA-N 1 0 294.415 2.718 20 5 CFBDRO COC(=O)c1cc(Cl)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234624251 778268365 /nfs/dbraw/zinc/26/83/65/778268365.db2.gz YTMXTWZWAFQIOP-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO C[C@H](O[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019829 778396898 /nfs/dbraw/zinc/39/68/98/778396898.db2.gz MVJPJQKTRPSABN-SMDDNHRTSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000159775765 778581211 /nfs/dbraw/zinc/58/12/11/778581211.db2.gz CXALDBAKZDIYQP-UHFFFAOYSA-N 1 0 293.367 2.928 20 5 CFBDRO Cc1c(C[NH2+]CC2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000160147865 778595397 /nfs/dbraw/zinc/59/53/97/778595397.db2.gz MHQIKUFKLDANHX-UHFFFAOYSA-N 1 0 278.352 2.546 20 5 CFBDRO COc1cccc(OC[C@H](C)OCCC[N+](C)(C)C)c1 ZINC001224622208 778603270 /nfs/dbraw/zinc/60/32/70/778603270.db2.gz GGVSREJTJPSDSA-AWEZNQCLSA-N 1 0 282.404 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CSC2)c1 ZINC000697978673 778608473 /nfs/dbraw/zinc/60/84/73/778608473.db2.gz MOKHUDXPVWTNDN-UHFFFAOYSA-N 1 0 272.757 2.701 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000699505324 779283643 /nfs/dbraw/zinc/28/36/43/779283643.db2.gz CPGCTIDDLWRSOR-OUCADQQQSA-N 1 0 278.352 2.979 20 5 CFBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC(C)(C)C[NH+](C)C ZINC001168767873 780155507 /nfs/dbraw/zinc/15/55/07/780155507.db2.gz LIHKSDNHYSQHOT-UHFFFAOYSA-N 1 0 295.383 2.912 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453119680 780415071 /nfs/dbraw/zinc/41/50/71/780415071.db2.gz MKCPSNCWWNFJRG-HUUCEWRRSA-N 1 0 290.363 2.685 20 5 CFBDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000702377515 780919021 /nfs/dbraw/zinc/91/90/21/780919021.db2.gz MQWWIDFHROISRU-ZFWWWQNUSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC000709827860 781319213 /nfs/dbraw/zinc/31/92/13/781319213.db2.gz YOPJGVALBUOJPJ-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO COC(C)(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000711860365 781478616 /nfs/dbraw/zinc/47/86/16/781478616.db2.gz BQVNEDUEQDBWFE-UHFFFAOYSA-N 1 0 258.343 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1F ZINC000699208056 781517106 /nfs/dbraw/zinc/51/71/06/781517106.db2.gz OSICDZPQFHSTLT-QWRGUYRKSA-N 1 0 250.273 2.576 20 5 CFBDRO C[C@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594503366 349433262 /nfs/dbraw/zinc/43/32/62/349433262.db2.gz WKLDPGSXNXKOAO-NWDGAFQWSA-N 1 0 296.392 2.847 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000124337211 187133033 /nfs/dbraw/zinc/13/30/33/187133033.db2.gz AWHLBORRIRSFOZ-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594507404 349434008 /nfs/dbraw/zinc/43/40/08/349434008.db2.gz LVMBOYLATQNGTB-ZOWXZIJZSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1cccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594591201 349453614 /nfs/dbraw/zinc/45/36/14/349453614.db2.gz HIYSWXKCEMVGRK-TXEJJXNPSA-N 1 0 263.341 2.655 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592288 349454107 /nfs/dbraw/zinc/45/41/07/349454107.db2.gz PFSIDTADKSFAPF-RWMBFGLXSA-N 1 0 293.367 2.504 20 5 CFBDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594716936 349479223 /nfs/dbraw/zinc/47/92/23/349479223.db2.gz FBUQUUJQERKDTK-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000594721188 349480565 /nfs/dbraw/zinc/48/05/65/349480565.db2.gz MLVMNILAUZRSKH-BXKDBHETSA-N 1 0 286.278 2.670 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594720310 349480576 /nfs/dbraw/zinc/48/05/76/349480576.db2.gz HVGARRNKKZGTMM-SKDRFNHKSA-N 1 0 286.278 2.670 20 5 CFBDRO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594925138 349511110 /nfs/dbraw/zinc/51/11/10/349511110.db2.gz LEOZGSUZNFZVLO-NSHDSACASA-N 1 0 286.335 2.588 20 5 CFBDRO CC(C)n1ccnc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000594929640 349513720 /nfs/dbraw/zinc/51/37/20/349513720.db2.gz LOSJJZZMMPADEV-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[C@H](COCC1CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594957919 349529258 /nfs/dbraw/zinc/52/92/58/349529258.db2.gz XACVGHRHAZJELV-GFCCVEGCSA-N 1 0 284.381 2.951 20 5 CFBDRO COC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594969586 349535358 /nfs/dbraw/zinc/53/53/58/349535358.db2.gz XLTRHRSKTWCNOI-UHFFFAOYSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCO[C@H]1CC1(F)F ZINC000594971113 349536003 /nfs/dbraw/zinc/53/60/03/349536003.db2.gz UWQWOGKAWLPYKZ-LQPUYASZSA-N 1 0 298.289 2.622 20 5 CFBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000594985716 349538864 /nfs/dbraw/zinc/53/88/64/349538864.db2.gz NPVSFIXGYFNZCN-YPMHNXCESA-N 1 0 264.325 2.642 20 5 CFBDRO CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083127401 178339287 /nfs/dbraw/zinc/33/92/87/178339287.db2.gz XLBCKNGVQDQCCT-UHFFFAOYSA-N 1 0 275.308 2.968 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c(Cl)c1 ZINC000594988255 349540082 /nfs/dbraw/zinc/54/00/82/349540082.db2.gz OIOAZQBYXSNWCD-OLZOCXBDSA-N 1 0 296.754 2.641 20 5 CFBDRO COc1cc(C[NH2+]CC2=CCCC2)c([N+](=O)[O-])cc1O ZINC000594989996 349540288 /nfs/dbraw/zinc/54/02/88/349540288.db2.gz LKSYSYBNBCSQBN-UHFFFAOYSA-N 1 0 278.308 2.509 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)C ZINC000595006986 349546114 /nfs/dbraw/zinc/54/61/14/349546114.db2.gz NSKNFISOITUZDY-SNVBAGLBSA-N 1 0 252.314 2.910 20 5 CFBDRO C[C@H](O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595007015 349546646 /nfs/dbraw/zinc/54/66/46/349546646.db2.gz OJGWLVBCSSYPPY-LRDDRELGSA-N 1 0 286.331 2.807 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008739 349547003 /nfs/dbraw/zinc/54/70/03/349547003.db2.gz QHJSJNHYAHPMJX-GHMZBOCLSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCF ZINC000595022357 349553153 /nfs/dbraw/zinc/55/31/53/349553153.db2.gz LLYHAAQYAWQDME-VIFPVBQESA-N 1 0 256.277 2.614 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000595024475 349553776 /nfs/dbraw/zinc/55/37/76/349553776.db2.gz GHEOPQCHXGOIQB-GRYCIOLGSA-N 1 0 294.351 2.679 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595023586 349554238 /nfs/dbraw/zinc/55/42/38/349554238.db2.gz WPUUALTYNJUUIY-HZMBPMFUSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000595029312 349556693 /nfs/dbraw/zinc/55/66/93/349556693.db2.gz WMZQQNIPWSWQAL-SMDDNHRTSA-N 1 0 296.367 2.661 20 5 CFBDRO C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273084440 192038462 /nfs/dbraw/zinc/03/84/62/192038462.db2.gz RLCBDWWJCNNXCU-CVEARBPZSA-N 1 0 290.363 2.685 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034435 349558176 /nfs/dbraw/zinc/55/81/76/349558176.db2.gz YHQMFPATUZODIZ-XLMCQVRKSA-N 1 0 294.351 2.581 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000595054176 349566623 /nfs/dbraw/zinc/56/66/23/349566623.db2.gz YQPSPKKUHYITFK-NTZNESFSSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595056642 349568305 /nfs/dbraw/zinc/56/83/05/349568305.db2.gz OUVCGLVLPGNYKC-BXUZGUMPSA-N 1 0 278.352 2.715 20 5 CFBDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000595062253 349571226 /nfs/dbraw/zinc/57/12/26/349571226.db2.gz UQKQFUHGJOEQEM-TZMCWYRMSA-N 1 0 296.367 2.605 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595068082 349573505 /nfs/dbraw/zinc/57/35/05/349573505.db2.gz OGDOMMRSOVHVRH-RISCZKNCSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000595066237 349572176 /nfs/dbraw/zinc/57/21/76/349572176.db2.gz GVNKAUNHDJEXKA-NEPJUHHUSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069279 349573538 /nfs/dbraw/zinc/57/35/38/349573538.db2.gz QTPBBJZJHKYYRY-NEPJUHHUSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC000595070573 349574565 /nfs/dbraw/zinc/57/45/65/349574565.db2.gz YECUJXWQGUDKQU-DGCLKSJQSA-N 1 0 298.289 2.596 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595330415 349603481 /nfs/dbraw/zinc/60/34/81/349603481.db2.gz AUZVGJKCTISCJJ-NSHDSACASA-N 1 0 267.329 2.759 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000595336550 349604167 /nfs/dbraw/zinc/60/41/67/349604167.db2.gz ZSZATROKOHKVHG-IUCAKERBSA-N 1 0 253.302 2.512 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595348606 349608606 /nfs/dbraw/zinc/60/86/06/349608606.db2.gz UEZFAHHKDILKJY-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO Cc1noc(C[N@@H+](CC2CC2)C(C)C)c1[N+](=O)[O-] ZINC000595355593 349609661 /nfs/dbraw/zinc/60/96/61/349609661.db2.gz CTLQJFMKQNNPCN-UHFFFAOYSA-N 1 0 253.302 2.512 20 5 CFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000595391623 349615090 /nfs/dbraw/zinc/61/50/90/349615090.db2.gz OBAKZTABJBSUDJ-CYBMUJFWSA-N 1 0 284.331 2.573 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000595422489 349620584 /nfs/dbraw/zinc/62/05/84/349620584.db2.gz HKWFDKBTWRMRGE-UPJWGTAASA-N 1 0 287.363 2.784 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428051 349623403 /nfs/dbraw/zinc/62/34/03/349623403.db2.gz ZIFBASAHSANOEJ-QMTHXVAHSA-N 1 0 279.340 2.903 20 5 CFBDRO Cc1noc(C[NH2+][C@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC000595429443 349623530 /nfs/dbraw/zinc/62/35/30/349623530.db2.gz NVUOCXAUYVXVDZ-MRVPVSSYSA-N 1 0 253.302 2.560 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000595432579 349624946 /nfs/dbraw/zinc/62/49/46/349624946.db2.gz SGMILXUPNDTDPB-CMPLNLGQSA-N 1 0 282.315 2.639 20 5 CFBDRO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CCC1 ZINC000595465292 349634971 /nfs/dbraw/zinc/63/49/71/349634971.db2.gz BQLCLKTYKIFUOG-UHFFFAOYSA-N 1 0 253.302 2.513 20 5 CFBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595482961 349639055 /nfs/dbraw/zinc/63/90/55/349639055.db2.gz DHELQRAKLXLBJX-KOLCDFICSA-N 1 0 285.369 2.655 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512502 349647763 /nfs/dbraw/zinc/64/77/63/349647763.db2.gz PAEVQMDKFZPAFL-OLZOCXBDSA-N 1 0 282.315 2.637 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595519721 349649003 /nfs/dbraw/zinc/64/90/03/349649003.db2.gz BTVBBLCXINZPMC-ABAIWWIYSA-N 1 0 296.342 2.981 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595521990 349650190 /nfs/dbraw/zinc/65/01/90/349650190.db2.gz HLBQFYNHMIMGAK-IINYFYTJSA-N 1 0 282.315 2.591 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000595502811 349644843 /nfs/dbraw/zinc/64/48/43/349644843.db2.gz NYXBINMACNMIGS-VQXHTEKXSA-N 1 0 265.313 2.560 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595537012 349653931 /nfs/dbraw/zinc/65/39/31/349653931.db2.gz ZXDSWUVRKWPCND-NSHDSACASA-N 1 0 283.397 2.572 20 5 CFBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595592957 349667919 /nfs/dbraw/zinc/66/79/19/349667919.db2.gz LVQJTSHTRWNUDI-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671857 349695789 /nfs/dbraw/zinc/69/57/89/349695789.db2.gz XAUIXNLWYGCFAW-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]1COC2(CCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595680008 349697943 /nfs/dbraw/zinc/69/79/43/349697943.db2.gz GCABWUQLDIRWQZ-ZDUSSCGKSA-N 1 0 290.363 2.781 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595701181 349709522 /nfs/dbraw/zinc/70/95/22/349709522.db2.gz RAVDKSSEIXLWGK-OCCSQVGLSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595706944 349712085 /nfs/dbraw/zinc/71/20/85/349712085.db2.gz ZECMEZGIRNBDLV-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO COC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000459679506 536737195 /nfs/dbraw/zinc/73/71/95/536737195.db2.gz OFUZNQMPBLHEML-UHFFFAOYSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359536 346909771 /nfs/dbraw/zinc/90/97/71/346909771.db2.gz VWTKBCWHIQGQMI-DZGCQCFKSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000595766646 349728037 /nfs/dbraw/zinc/72/80/37/349728037.db2.gz XZLUWCCGPLXSCG-LBPRGKRZSA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835040 349747345 /nfs/dbraw/zinc/74/73/45/349747345.db2.gz UIWJOFUDXVFBGO-NEPJUHHUSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835775 349748456 /nfs/dbraw/zinc/74/84/56/349748456.db2.gz VGTWWKIRVGXKST-FRRDWIJNSA-N 1 0 276.336 2.624 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596049482 349780875 /nfs/dbraw/zinc/78/08/75/349780875.db2.gz IVIOHUHVJJOJIG-JTQLQIEISA-N 1 0 269.370 2.861 20 5 CFBDRO Cc1cc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596053263 349782577 /nfs/dbraw/zinc/78/25/77/349782577.db2.gz CLEPUUINPGBDOP-UHFFFAOYSA-N 1 0 257.359 2.717 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCF ZINC000596057617 349783428 /nfs/dbraw/zinc/78/34/28/349783428.db2.gz VIHOMRIBJZVBKL-FMIVXFBMSA-N 1 0 282.315 2.574 20 5 CFBDRO CC[C@H](NC[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275654 529618934 /nfs/dbraw/zinc/61/89/34/529618934.db2.gz NHMBMWHNAIDZMX-KBPBESRZSA-N 1 0 265.357 2.619 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596090339 349792281 /nfs/dbraw/zinc/79/22/81/349792281.db2.gz BYWUIKBHFIJCIG-NSHDSACASA-N 1 0 298.346 2.792 20 5 CFBDRO C[NH2+]C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000596104427 349795529 /nfs/dbraw/zinc/79/55/29/349795529.db2.gz DXZYABQZIGFIAW-LLVKDONJSA-N 1 0 289.335 2.552 20 5 CFBDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072633196 346933299 /nfs/dbraw/zinc/93/32/99/346933299.db2.gz SAJFCGFOEPVOJH-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072872206 346945731 /nfs/dbraw/zinc/94/57/31/346945731.db2.gz AHSXJHLWNRSXTN-UTUOFQBUSA-N 1 0 291.351 2.510 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128025026 187347104 /nfs/dbraw/zinc/34/71/04/187347104.db2.gz VLWGKEZBCGNAJK-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596308535 349859152 /nfs/dbraw/zinc/85/91/52/349859152.db2.gz UGVKJJWUSMDURT-JTQLQIEISA-N 1 0 298.774 2.928 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596308856 349859167 /nfs/dbraw/zinc/85/91/67/349859167.db2.gz WYMGUIWWQGOMAG-LLVKDONJSA-N 1 0 278.356 2.522 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596309532 349860257 /nfs/dbraw/zinc/86/02/57/349860257.db2.gz UAEDGYTXLAJYRW-LLVKDONJSA-N 1 0 293.367 2.888 20 5 CFBDRO O=[N+]([O-])c1cccnc1NCCC[NH2+]C1CCCCC1 ZINC000074330561 347009796 /nfs/dbraw/zinc/00/97/96/347009796.db2.gz NIRLEYNWGGTJLR-UHFFFAOYSA-N 1 0 278.356 2.714 20 5 CFBDRO Cc1cccc(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596427910 349900509 /nfs/dbraw/zinc/90/05/09/349900509.db2.gz BZIFRAQHOIHFOC-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO CCOc1cc(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596433788 349901325 /nfs/dbraw/zinc/90/13/25/349901325.db2.gz UEVCUJZAIGIKBD-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074739183 347029585 /nfs/dbraw/zinc/02/95/85/347029585.db2.gz ARBFFFZQHRDODA-UHFFFAOYSA-N 1 0 292.383 2.607 20 5 CFBDRO Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000074767346 347031559 /nfs/dbraw/zinc/03/15/59/347031559.db2.gz ZWJBSRYJYMHJNL-CYBMUJFWSA-N 1 0 292.383 2.609 20 5 CFBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000074773059 347032222 /nfs/dbraw/zinc/03/22/22/347032222.db2.gz SXSDSWPBULCTGP-UHFFFAOYSA-N 1 0 280.372 2.911 20 5 CFBDRO Cc1c(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000235833355 539393803 /nfs/dbraw/zinc/39/38/03/539393803.db2.gz VQJXUBOJDNVUIY-ZDUSSCGKSA-N 1 0 291.351 2.620 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000596481054 349915284 /nfs/dbraw/zinc/91/52/84/349915284.db2.gz WNMGRILLIVFBJJ-SNVBAGLBSA-N 1 0 296.396 2.870 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1cccnc1[N+](=O)[O-] ZINC000596488581 349917830 /nfs/dbraw/zinc/91/78/30/349917830.db2.gz RMLRDMGDTFQNNK-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO C[NH+](C)C1(CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000075469527 347078375 /nfs/dbraw/zinc/07/83/75/347078375.db2.gz GQJFBKOXJANMOO-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295097505 199343727 /nfs/dbraw/zinc/34/37/27/199343727.db2.gz SHLQOYFGOTXOCS-VIFPVBQESA-N 1 0 286.759 2.887 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000313146030 260253376 /nfs/dbraw/zinc/25/33/76/260253376.db2.gz WELJFQILYJAFSY-STQMWFEESA-N 1 0 286.759 2.887 20 5 CFBDRO Cc1cncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000123197072 232199976 /nfs/dbraw/zinc/19/99/76/232199976.db2.gz FKPGDMUIAKDIEG-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO COC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168132063 232262222 /nfs/dbraw/zinc/26/22/22/232262222.db2.gz DRTPAELUNQGNBO-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@@H](CCCCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295136133 199365178 /nfs/dbraw/zinc/36/51/78/199365178.db2.gz YUNOJDAAZZXVJK-JTQLQIEISA-N 1 0 286.759 2.889 20 5 CFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024811909 346257604 /nfs/dbraw/zinc/25/76/04/346257604.db2.gz GLYYIKRFALSCFK-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000030148766 346286711 /nfs/dbraw/zinc/28/67/11/346286711.db2.gz YYKANVNDNCCRRU-LBPRGKRZSA-N 1 0 293.367 2.818 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916118 346335723 /nfs/dbraw/zinc/33/57/23/346335723.db2.gz GXUMFSXYMCVMSA-ZFWWWQNUSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000046092594 346419673 /nfs/dbraw/zinc/41/96/73/346419673.db2.gz MEWCYBLHGXJHIZ-ZDUSSCGKSA-N 1 0 276.336 2.596 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)C1 ZINC000075685576 347092730 /nfs/dbraw/zinc/09/27/30/347092730.db2.gz QMUONUXYFCTRBF-STQMWFEESA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051159014 346500516 /nfs/dbraw/zinc/50/05/16/346500516.db2.gz HQUSSPMTNWTHDO-CHWSQXEVSA-N 1 0 278.352 2.952 20 5 CFBDRO CCCC[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000052877704 346531143 /nfs/dbraw/zinc/53/11/43/346531143.db2.gz SJTBVQXAXOQNCF-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@@H]21 ZINC000085636497 179109083 /nfs/dbraw/zinc/10/90/83/179109083.db2.gz KWOKUGMEWMGSFB-ZNMIVQPWSA-N 1 0 290.363 2.540 20 5 CFBDRO CCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000075859586 347103066 /nfs/dbraw/zinc/10/30/66/347103066.db2.gz IZFQCXHBCOTIQD-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CCOCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057626885 346633137 /nfs/dbraw/zinc/63/31/37/346633137.db2.gz SXWFWVQSBWCJLG-NSHDSACASA-N 1 0 252.314 2.624 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000057838818 346638754 /nfs/dbraw/zinc/63/87/54/346638754.db2.gz ISOABDVKFNGEKI-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064009835 346714413 /nfs/dbraw/zinc/71/44/13/346714413.db2.gz TUXKDYVZBIWXAA-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000066371812 346756367 /nfs/dbraw/zinc/75/63/67/346756367.db2.gz SXNBUELTPVRKLM-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO CC(C)(C)CC[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066810172 346780448 /nfs/dbraw/zinc/78/04/48/346780448.db2.gz GSKGLFMHQCGALU-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C1 ZINC000066812331 346780556 /nfs/dbraw/zinc/78/05/56/346780556.db2.gz UMNIOIZFMQJXRX-GFCCVEGCSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000066808831 346780633 /nfs/dbraw/zinc/78/06/33/346780633.db2.gz SZUDIJVPXRXFEM-NEPJUHHUSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075892214 347105940 /nfs/dbraw/zinc/10/59/40/347105940.db2.gz GMRTVQWXOCVQGO-QWRGUYRKSA-N 1 0 266.366 2.921 20 5 CFBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000076113403 347122639 /nfs/dbraw/zinc/12/26/39/347122639.db2.gz GRHGHWPJGJDMLN-PHIMTYICSA-N 1 0 292.335 2.549 20 5 CFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000076795524 347154174 /nfs/dbraw/zinc/15/41/74/347154174.db2.gz PZIUXRKTIXSRHS-ZDUSSCGKSA-N 1 0 292.383 2.914 20 5 CFBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000076798410 347154395 /nfs/dbraw/zinc/15/43/95/347154395.db2.gz BIQJATCGJJURLY-UHFFFAOYSA-N 1 0 292.383 2.914 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000078575067 347262779 /nfs/dbraw/zinc/26/27/79/347262779.db2.gz NFDARBKOXTTWLM-CQSZACIVSA-N 1 0 277.368 2.824 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000078744895 347273059 /nfs/dbraw/zinc/27/30/59/347273059.db2.gz PVWTXNFDDYKKRI-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000085988252 179212846 /nfs/dbraw/zinc/21/28/46/179212846.db2.gz GXDPQGNRJFUTJA-SMDDNHRTSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000085962538 347482888 /nfs/dbraw/zinc/48/28/88/347482888.db2.gz VERUWCKBIPPBTB-ZOWXZIJZSA-N 1 0 278.352 2.797 20 5 CFBDRO CC1CCC(O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000087061828 347490782 /nfs/dbraw/zinc/49/07/82/347490782.db2.gz ZAVIFUOSWONTNM-UHFFFAOYSA-N 1 0 292.379 2.668 20 5 CFBDRO Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000085688239 347482359 /nfs/dbraw/zinc/48/23/59/347482359.db2.gz ISCPASWQKZJKOH-NSHDSACASA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000088719070 347508001 /nfs/dbraw/zinc/50/80/01/347508001.db2.gz BCZPRLUKEAPSSC-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000092470905 347627762 /nfs/dbraw/zinc/62/77/62/347627762.db2.gz JXRBMIOWCUWPQZ-CYBMUJFWSA-N 1 0 278.352 2.675 20 5 CFBDRO C[C@@H]1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000130052011 347866882 /nfs/dbraw/zinc/86/68/82/347866882.db2.gz XSFDUCTVOWQLBI-VXGBXAGGSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000153160720 347971970 /nfs/dbraw/zinc/97/19/70/347971970.db2.gz NSPHHWOLLSSOEH-OCCSQVGLSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000157665180 348001816 /nfs/dbraw/zinc/00/18/16/348001816.db2.gz DOTNWBPIQPVDSF-GHMZBOCLSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000159344820 348012471 /nfs/dbraw/zinc/01/24/71/348012471.db2.gz CWBGZNRTTZDRFQ-LBPRGKRZSA-N 1 0 278.356 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154575134 347980762 /nfs/dbraw/zinc/98/07/62/347980762.db2.gz IRHAMSSKIUBFDA-OCCSQVGLSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000154575445 347981248 /nfs/dbraw/zinc/98/12/48/347981248.db2.gz IRHAMSSKIUBFDA-GXTWGEPZSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@H]1CSCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000172594163 348100170 /nfs/dbraw/zinc/10/01/70/348100170.db2.gz BGNLHMDWNTWBKH-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO Cc1nc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000226387921 348182813 /nfs/dbraw/zinc/18/28/13/348182813.db2.gz DAKVZZMHJLQPPU-UHFFFAOYSA-N 1 0 291.376 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2CCSCC2)cc1 ZINC000229258303 348200112 /nfs/dbraw/zinc/20/01/12/348200112.db2.gz AQMDCBWJNHBQAB-UHFFFAOYSA-N 1 0 296.392 2.706 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236640369 348234240 /nfs/dbraw/zinc/23/42/40/348234240.db2.gz CUFKUVZSKXXCNJ-HZRUHFOJSA-N 1 0 278.352 2.605 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000236654375 348234674 /nfs/dbraw/zinc/23/46/74/348234674.db2.gz FVMOYOBGCORKIZ-CQSZACIVSA-N 1 0 291.395 2.902 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250049479 348285668 /nfs/dbraw/zinc/28/56/68/348285668.db2.gz GHNMNVZUWLNFEJ-CVEARBPZSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250249064 348287004 /nfs/dbraw/zinc/28/70/04/348287004.db2.gz MMIVEROTUSVIAA-CVEARBPZSA-N 1 0 289.379 2.701 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000271012034 348331571 /nfs/dbraw/zinc/33/15/71/348331571.db2.gz POKKVHNLFFTMJY-AWEZNQCLSA-N 1 0 278.352 2.640 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000278679196 348339290 /nfs/dbraw/zinc/33/92/90/348339290.db2.gz HVTNPAMSFLRPIU-GHMZBOCLSA-N 1 0 270.354 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CCC2 ZINC000278849773 348339617 /nfs/dbraw/zinc/33/96/17/348339617.db2.gz VMHCLGMMJPYVEI-BVUBDWEXSA-N 1 0 288.347 2.882 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000300611877 348369458 /nfs/dbraw/zinc/36/94/58/348369458.db2.gz RNUDAETZPCXNMX-SGMGOOAPSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309724479 348407542 /nfs/dbraw/zinc/40/75/42/348407542.db2.gz NBTMTRFYYJHDGB-CQSZACIVSA-N 1 0 298.346 2.676 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000311215737 348412577 /nfs/dbraw/zinc/41/25/77/348412577.db2.gz MYFJHIWGKHHTHT-PWSUYJOCSA-N 1 0 266.366 2.887 20 5 CFBDRO COCC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000312449380 348418199 /nfs/dbraw/zinc/41/81/99/348418199.db2.gz CYCABBSLTZRJQV-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO COc1cc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000312489200 348419324 /nfs/dbraw/zinc/41/93/24/348419324.db2.gz JUSDFKHTAIAOSN-JTQLQIEISA-N 1 0 281.356 2.521 20 5 CFBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000312796974 348419764 /nfs/dbraw/zinc/41/97/64/348419764.db2.gz QJGLFCTVMMEYAY-MNOVXSKESA-N 1 0 296.758 2.682 20 5 CFBDRO CO[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000312780040 348420197 /nfs/dbraw/zinc/42/01/97/348420197.db2.gz PERCLMAQJXPQAU-HNNXBMFYSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1c(C[NH2+]CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000312653142 348420233 /nfs/dbraw/zinc/42/02/33/348420233.db2.gz ULWNKQDMEOHSPE-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000315337783 348428880 /nfs/dbraw/zinc/42/88/80/348428880.db2.gz NHRYYIRGDARYIQ-LBPRGKRZSA-N 1 0 298.346 2.792 20 5 CFBDRO O=[N+]([O-])c1cccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)ccnc21 ZINC000317090306 348433203 /nfs/dbraw/zinc/43/32/03/348433203.db2.gz AGKCWLQYPPLGSC-NSHDSACASA-N 1 0 298.346 2.792 20 5 CFBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314202878 348425225 /nfs/dbraw/zinc/42/52/25/348425225.db2.gz TULXUHOXNOEDBM-DMDPSCGWSA-N 1 0 293.342 2.606 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000314758106 348427189 /nfs/dbraw/zinc/42/71/89/348427189.db2.gz RTMRNWAFJBZHQD-OAHLLOKOSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000273397782 192138529 /nfs/dbraw/zinc/13/85/29/192138529.db2.gz LHNQIMFRUPMKES-WCQYABFASA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402280830 348581731 /nfs/dbraw/zinc/58/17/31/348581731.db2.gz GBLJBVSTVTYREI-GVXVVHGQSA-N 1 0 264.325 2.731 20 5 CFBDRO C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404518722 348591975 /nfs/dbraw/zinc/59/19/75/348591975.db2.gz USPFNCWIWWCRFK-PWSUYJOCSA-N 1 0 283.397 2.606 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000273448222 192154407 /nfs/dbraw/zinc/15/44/07/192154407.db2.gz KPDIURFRKJJRQQ-HNNXBMFYSA-N 1 0 292.379 2.790 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000587630591 348762512 /nfs/dbraw/zinc/76/25/12/348762512.db2.gz RWASZLLVXMYTKN-LLVKDONJSA-N 1 0 281.331 2.701 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000589496331 348835849 /nfs/dbraw/zinc/83/58/49/348835849.db2.gz OQIUZPKEVYBKPR-SNVBAGLBSA-N 1 0 292.335 2.612 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589505800 348837090 /nfs/dbraw/zinc/83/70/90/348837090.db2.gz OWVZMDQSCFDLJA-NSHDSACASA-N 1 0 292.335 2.613 20 5 CFBDRO CCOc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590569634 348910198 /nfs/dbraw/zinc/91/01/98/348910198.db2.gz POIKQDRMJWUFIJ-WCQYABFASA-N 1 0 293.367 2.522 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000590647196 348920243 /nfs/dbraw/zinc/92/02/43/348920243.db2.gz MMTMLOROIVKVOD-HIFRSBDPSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cn[nH]c3)C2)cc1 ZINC000590659587 348924156 /nfs/dbraw/zinc/92/41/56/348924156.db2.gz PGQLPTWQUUPFHC-AWEZNQCLSA-N 1 0 286.335 2.698 20 5 CFBDRO O=C1C[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590967170 348973880 /nfs/dbraw/zinc/97/38/80/348973880.db2.gz AZMMSYDGEVGJGV-VDKLAZJHSA-N 1 0 286.331 2.804 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000591266029 349005610 /nfs/dbraw/zinc/00/56/10/349005610.db2.gz OGNXQRZYQYANIO-WPRPVWTQSA-N 1 0 256.252 2.728 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444708 349022712 /nfs/dbraw/zinc/02/27/12/349022712.db2.gz IMPBMQCMBMQXDB-VXGBXAGGSA-N 1 0 293.342 2.560 20 5 CFBDRO Cc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000591442901 349022747 /nfs/dbraw/zinc/02/27/47/349022747.db2.gz MAFJSZRTUMCRCA-AWEZNQCLSA-N 1 0 289.379 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(-c3nc([C@@H]4CCC[NH2+]4)no3)c2c1 ZINC000592357351 349107596 /nfs/dbraw/zinc/10/75/96/349107596.db2.gz YDQRXBVPHGWBTA-LBPRGKRZSA-N 1 0 299.290 2.551 20 5 CFBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130296 349089489 /nfs/dbraw/zinc/08/94/89/349089489.db2.gz ATZYNOQONDVGIL-HDJSIYSDSA-N 1 0 278.352 2.720 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592170092 349094611 /nfs/dbraw/zinc/09/46/11/349094611.db2.gz VRJFXEKHIWWGNL-MCIONIFRSA-N 1 0 296.392 2.593 20 5 CFBDRO C[C@@H]1CC2(C[N@@H+]1Cc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592181548 349095982 /nfs/dbraw/zinc/09/59/82/349095982.db2.gz HROSEUFJXYLSRF-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592186970 349096890 /nfs/dbraw/zinc/09/68/90/349096890.db2.gz IHIRYSDZZQRDBW-ZDUSSCGKSA-N 1 0 290.363 2.781 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCS[C@H]1C ZINC000592380775 349113597 /nfs/dbraw/zinc/11/35/97/349113597.db2.gz QLDOPYNXTDGYHX-GXFFZTMASA-N 1 0 296.392 2.977 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC000592485036 349127520 /nfs/dbraw/zinc/12/75/20/349127520.db2.gz OPNNLGZXECJWTM-GFCCVEGCSA-N 1 0 277.368 2.777 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489157 349127826 /nfs/dbraw/zinc/12/78/26/349127826.db2.gz ISFCZMXBOWDXFS-CJNGLKHVSA-N 1 0 289.379 2.731 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593017823 349187843 /nfs/dbraw/zinc/18/78/43/349187843.db2.gz BQJPRNJIJWJFFM-MNOVXSKESA-N 1 0 294.351 2.906 20 5 CFBDRO CN1CCC[C@@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000593031271 349190736 /nfs/dbraw/zinc/19/07/36/349190736.db2.gz ZWYUKWQOHFOHEK-GFCCVEGCSA-N 1 0 277.368 2.514 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCCCC2)c1 ZINC000593516701 349288566 /nfs/dbraw/zinc/28/85/66/349288566.db2.gz QJAJFDBTHFXLEV-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CNc3ccccc3C2)cs1 ZINC000593317238 349246712 /nfs/dbraw/zinc/24/67/12/349246712.db2.gz SMGOQOIVWDYLCY-LBPRGKRZSA-N 1 0 289.360 2.783 20 5 CFBDRO C[NH+]1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454005 349273939 /nfs/dbraw/zinc/27/39/39/349273939.db2.gz DOCIMGKJINCZME-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@@H]([NH2+]CCCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000593972862 349342683 /nfs/dbraw/zinc/34/26/83/349342683.db2.gz RWFGXTDYQMDICT-GFCCVEGCSA-N 1 0 288.351 2.612 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000593668496 349307553 /nfs/dbraw/zinc/30/75/53/349307553.db2.gz LQTFTPCURNDHSH-MRXNPFEDSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC000594053471 349365181 /nfs/dbraw/zinc/36/51/81/349365181.db2.gz QBJAXCSGHDHOTG-AWEZNQCLSA-N 1 0 292.383 2.836 20 5 CFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594496282 349430447 /nfs/dbraw/zinc/43/04/47/349430447.db2.gz YZVKJVHGMSCKDE-CMPLNLGQSA-N 1 0 266.366 2.969 20 5 CFBDRO Cc1ccc(CN2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597179182 350045304 /nfs/dbraw/zinc/04/53/04/350045304.db2.gz HJEULIFOTBXQAV-INIZCTEOSA-N 1 0 290.363 2.904 20 5 CFBDRO C[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271265045 191037460 /nfs/dbraw/zinc/03/74/60/191037460.db2.gz BIPZTGMZHKWJPW-VHSXEESVSA-N 1 0 270.354 2.561 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000271301405 191059779 /nfs/dbraw/zinc/05/97/79/191059779.db2.gz UULJEZUPIXPLDF-YPMHNXCESA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271321190 191072396 /nfs/dbraw/zinc/07/23/96/191072396.db2.gz DJOOIJXQUSRIRJ-JSGCOSHPSA-N 1 0 278.352 2.808 20 5 CFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414808290 233359496 /nfs/dbraw/zinc/35/94/96/233359496.db2.gz SCWWRMNZEBZEGX-IINYFYTJSA-N 1 0 297.786 2.855 20 5 CFBDRO C[C@H]([NH3+])c1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000414808538 233360116 /nfs/dbraw/zinc/36/01/16/233360116.db2.gz KXJUFTLASXOIGN-JTQLQIEISA-N 1 0 291.376 2.966 20 5 CFBDRO O=[N+]([O-])c1ccc(CNCC[NH2+]C2CCCCCC2)cc1 ZINC000414815153 233363602 /nfs/dbraw/zinc/36/36/02/233363602.db2.gz SNZLEDRAWGLHQY-UHFFFAOYSA-N 1 0 291.395 2.997 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910454 233396359 /nfs/dbraw/zinc/39/63/59/233396359.db2.gz CWBCAQVWSZUWCQ-QWRGUYRKSA-N 1 0 283.759 2.608 20 5 CFBDRO CN(CCC[NH+](C)C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599061804 350367947 /nfs/dbraw/zinc/36/79/47/350367947.db2.gz GKTPBDVJEFXJOD-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598991196 350355578 /nfs/dbraw/zinc/35/55/78/350355578.db2.gz MAMADKCPLBBMSV-LLVKDONJSA-N 1 0 272.370 2.543 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CCC(C)C ZINC000598991176 350355795 /nfs/dbraw/zinc/35/57/95/350355795.db2.gz LQMVBCBVHXQLGX-AWEZNQCLSA-N 1 0 280.368 2.790 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598996376 350356342 /nfs/dbraw/zinc/35/63/42/350356342.db2.gz HHLPKKBXLHAFTE-XCRGBYMUSA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599000807 350357211 /nfs/dbraw/zinc/35/72/11/350357211.db2.gz WFFGIZRQPBXYAR-ASHKBJFXSA-N 1 0 278.352 2.805 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599000044 350357362 /nfs/dbraw/zinc/35/73/62/350357362.db2.gz RGVHQCJLWUXNRU-DDIVZENXSA-N 1 0 294.351 2.505 20 5 CFBDRO C/C=C\C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000599005155 350358272 /nfs/dbraw/zinc/35/82/72/350358272.db2.gz KXEXSRFXZVUGQV-HYXAFXHYSA-N 1 0 250.298 2.659 20 5 CFBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])[C@H]1C ZINC000599087097 350374368 /nfs/dbraw/zinc/37/43/68/350374368.db2.gz TWFINIUWLZVJKB-UWVGGRQHSA-N 1 0 257.293 2.988 20 5 CFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])[C@H]1C ZINC000599087099 350374507 /nfs/dbraw/zinc/37/45/07/350374507.db2.gz TWFINIUWLZVJKB-ZJUUUORDSA-N 1 0 257.293 2.988 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599093793 350374734 /nfs/dbraw/zinc/37/47/34/350374734.db2.gz VXUONEFVYGMWLS-MRVWCRGKSA-N 1 0 264.325 2.813 20 5 CFBDRO CCOc1cc(N2C[C@@H](C)[NH2+][C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000599182096 350391244 /nfs/dbraw/zinc/39/12/44/350391244.db2.gz YOKMOTONKBQOCG-NEPJUHHUSA-N 1 0 293.367 2.570 20 5 CFBDRO CCO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599260052 350401716 /nfs/dbraw/zinc/40/17/16/350401716.db2.gz UMGQKMGVTUFHLK-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1(C)COC1 ZINC000599571682 350459111 /nfs/dbraw/zinc/45/91/11/350459111.db2.gz PZRZIHZWBXQHJE-LBPRGKRZSA-N 1 0 278.352 2.933 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000599627802 350467007 /nfs/dbraw/zinc/46/70/07/350467007.db2.gz ZHWGYKSPFPTMQI-RZGXBDKHSA-N 1 0 282.315 2.635 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000599627237 350467217 /nfs/dbraw/zinc/46/72/17/350467217.db2.gz VOWAERDBZACVEO-NWJSVONSSA-N 1 0 278.352 2.539 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1CCCO ZINC000107904919 186197891 /nfs/dbraw/zinc/19/78/91/186197891.db2.gz IOUIMSBDEAZJMC-LLVKDONJSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C(C)C)CC1 ZINC000108349476 186212551 /nfs/dbraw/zinc/21/25/51/186212551.db2.gz XZEJWWVWMZKFDS-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600679684 350596267 /nfs/dbraw/zinc/59/62/67/350596267.db2.gz NHBKVKNTASBSGK-JSGCOSHPSA-N 1 0 291.395 2.948 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600708219 350598169 /nfs/dbraw/zinc/59/81/69/350598169.db2.gz KBZQKPCKDMLCMO-SWLSCSKDSA-N 1 0 289.379 2.838 20 5 CFBDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000600707384 350598385 /nfs/dbraw/zinc/59/83/85/350598385.db2.gz HHVYUFYDEQRMKY-QLFBSQMISA-N 1 0 277.368 2.776 20 5 CFBDRO C[C@H]([NH2+]CCc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000108941857 186237501 /nfs/dbraw/zinc/23/75/01/186237501.db2.gz KAIDWJDMGDXTPW-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc([C@H]3CC[NH2+]C3)c2)c1 ZINC000600782485 350610779 /nfs/dbraw/zinc/61/07/79/350610779.db2.gz MIAMYFWDFBSFES-AWEZNQCLSA-N 1 0 298.342 2.831 20 5 CFBDRO [NH3+]CC1(Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000600789006 350612265 /nfs/dbraw/zinc/61/22/65/350612265.db2.gz PCOJSFIGAJORLZ-UHFFFAOYSA-N 1 0 283.331 2.938 20 5 CFBDRO C[NH2+][C@H](CO)c1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000600792524 350613321 /nfs/dbraw/zinc/61/33/21/350613321.db2.gz ZDNFYXLRCKUCGU-OAHLLOKOSA-N 1 0 286.331 2.823 20 5 CFBDRO C[C@H]1CC[C@@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)O1 ZINC000601173236 350688877 /nfs/dbraw/zinc/68/88/77/350688877.db2.gz TUTNFCZWHPZDTC-JQWIXIFHSA-N 1 0 287.319 2.544 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ccsc1[N+](=O)[O-] ZINC000601186635 350691527 /nfs/dbraw/zinc/69/15/27/350691527.db2.gz SJTNPPYLZGDWAH-UHFFFAOYSA-N 1 0 257.359 2.846 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000601298496 350719052 /nfs/dbraw/zinc/71/90/52/350719052.db2.gz ITAPWFHTKTVRKU-SKDRFNHKSA-N 1 0 288.294 2.570 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCn2nccc21 ZINC000601320660 350723682 /nfs/dbraw/zinc/72/36/82/350723682.db2.gz IIHLCWZNFQBWOR-ZIAGYGMSSA-N 1 0 298.346 2.903 20 5 CFBDRO CC1(C)C[NH2+]CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601970489 350821679 /nfs/dbraw/zinc/82/16/79/350821679.db2.gz KAEOTQLLBFXANW-LBPRGKRZSA-N 1 0 295.358 2.602 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CCC1 ZINC000111296782 186392918 /nfs/dbraw/zinc/39/29/18/186392918.db2.gz CCZKEXNXXAQSSO-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO Cn1cc(C[NH+]2CCC(C3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602480591 350899846 /nfs/dbraw/zinc/89/98/46/350899846.db2.gz AGBDBMFUCAGTOK-UHFFFAOYSA-N 1 0 292.383 2.731 20 5 CFBDRO C[C@H]1CCCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602514863 350910764 /nfs/dbraw/zinc/91/07/64/350910764.db2.gz MOHLZQKGNQTGQA-AWEZNQCLSA-N 1 0 291.395 2.601 20 5 CFBDRO C[C@@H]1CCCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602514867 350911249 /nfs/dbraw/zinc/91/12/49/350911249.db2.gz MOHLZQKGNQTGQA-CQSZACIVSA-N 1 0 291.395 2.601 20 5 CFBDRO CC1(C)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602527871 350914791 /nfs/dbraw/zinc/91/47/91/350914791.db2.gz NBTXXPUELOZCNK-NSHDSACASA-N 1 0 261.281 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000602538742 350917855 /nfs/dbraw/zinc/91/78/55/350917855.db2.gz HSEOQVDTKWNZRT-CLLJXQQHSA-N 1 0 276.336 2.609 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000602537773 350917873 /nfs/dbraw/zinc/91/78/73/350917873.db2.gz DZVFBDGWEGAPGZ-BXKDBHETSA-N 1 0 286.278 2.607 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602564170 350926060 /nfs/dbraw/zinc/92/60/60/350926060.db2.gz NGMOIESEWRNWHG-SECBINFHSA-N 1 0 275.308 2.872 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC(=C3CCC3)CC2)c1 ZINC000602567492 350927357 /nfs/dbraw/zinc/92/73/57/350927357.db2.gz DVMICMHHEKDOIM-UHFFFAOYSA-N 1 0 290.367 2.804 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602581516 350933997 /nfs/dbraw/zinc/93/39/97/350933997.db2.gz JIKKQGHJCAYCNH-UKRRQHHQSA-N 1 0 278.352 2.542 20 5 CFBDRO CC[C@H](CSC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602583328 350934450 /nfs/dbraw/zinc/93/44/50/350934450.db2.gz PXGYPHRGMGNNQA-SECBINFHSA-N 1 0 295.364 2.967 20 5 CFBDRO CO[C@](C)(C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602440715 350883687 /nfs/dbraw/zinc/88/36/87/350883687.db2.gz SDPVKXASQMSRID-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO CC1(C)C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602688229 350979368 /nfs/dbraw/zinc/97/93/68/350979368.db2.gz PNPNVYNIJXSPCV-AWEZNQCLSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@@H](C)C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602694640 350982876 /nfs/dbraw/zinc/98/28/76/350982876.db2.gz ADSNMXQLCBFSSW-TZMCWYRMSA-N 1 0 280.368 2.524 20 5 CFBDRO CC(C)(C)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602705573 350989802 /nfs/dbraw/zinc/98/98/02/350989802.db2.gz ILOLBSDUSUVRHO-AWEZNQCLSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@H]1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000602711933 350993798 /nfs/dbraw/zinc/99/37/98/350993798.db2.gz SNRJDIZNADJFOH-IUODEOHRSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000602711934 350994042 /nfs/dbraw/zinc/99/40/42/350994042.db2.gz SNRJDIZNADJFOH-SWLSCSKDSA-N 1 0 278.352 2.685 20 5 CFBDRO CCC(CC)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602731466 351004114 /nfs/dbraw/zinc/00/41/14/351004114.db2.gz KHEHZRRSMAQQSV-OAHLLOKOSA-N 1 0 280.368 2.828 20 5 CFBDRO CC(C)(C)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602730765 351004134 /nfs/dbraw/zinc/00/41/34/351004134.db2.gz GIWSTTKZAXSCND-OAHLLOKOSA-N 1 0 280.368 2.828 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCCCCC1 ZINC000602761311 351015774 /nfs/dbraw/zinc/01/57/74/351015774.db2.gz WUTCAKMEHGAMSS-UHFFFAOYSA-N 1 0 280.372 2.754 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000602764811 351016828 /nfs/dbraw/zinc/01/68/28/351016828.db2.gz YLUSCIOKEGWFGK-DGCLKSJQSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccco1)C(C)C ZINC000602766718 351018335 /nfs/dbraw/zinc/01/83/35/351018335.db2.gz AMVLOTFVOWLAIB-UHFFFAOYSA-N 1 0 292.339 2.603 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000602773150 351020447 /nfs/dbraw/zinc/02/04/47/351020447.db2.gz RBWJHIINCVIIAF-LBPRGKRZSA-N 1 0 280.372 2.610 20 5 CFBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602771608 351020484 /nfs/dbraw/zinc/02/04/84/351020484.db2.gz GAHNZVBXSODMRJ-WDEREUQCSA-N 1 0 280.372 2.727 20 5 CFBDRO CC[C@@H]1CCCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776253 351021494 /nfs/dbraw/zinc/02/14/94/351021494.db2.gz BHCKZPAHHYVTGG-CYBMUJFWSA-N 1 0 280.372 2.754 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602802618 351031404 /nfs/dbraw/zinc/03/14/04/351031404.db2.gz RQDNGQFGGCJXGX-CQSZACIVSA-N 1 0 288.351 2.959 20 5 CFBDRO Cn1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602804583 351031769 /nfs/dbraw/zinc/03/17/69/351031769.db2.gz JVIPQJIVFRKBBO-AWEZNQCLSA-N 1 0 286.335 2.569 20 5 CFBDRO CCCC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602807904 351033888 /nfs/dbraw/zinc/03/38/88/351033888.db2.gz XETLJUVNYJCOIM-CYBMUJFWSA-N 1 0 280.372 2.777 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000602808710 351034222 /nfs/dbraw/zinc/03/42/22/351034222.db2.gz YXCUGTPNCGBZBY-IACUBPJLSA-N 1 0 292.383 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000602812631 351034848 /nfs/dbraw/zinc/03/48/48/351034848.db2.gz ASBIRGAPVBVJJE-DGCLKSJQSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000602810262 351035185 /nfs/dbraw/zinc/03/51/85/351035185.db2.gz GHUGASYGXCFXFQ-NTZNESFSSA-N 1 0 280.372 2.514 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000602838096 351041019 /nfs/dbraw/zinc/04/10/19/351041019.db2.gz PXMRPZAFVNZRRZ-UHFFFAOYSA-N 1 0 292.383 2.612 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602842729 351042858 /nfs/dbraw/zinc/04/28/58/351042858.db2.gz SHYDSCOYEVTYKL-LLVKDONJSA-N 1 0 268.361 2.633 20 5 CFBDRO Cn1cc(C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846936 351044277 /nfs/dbraw/zinc/04/42/77/351044277.db2.gz UEUSICZIYJBJST-OLZOCXBDSA-N 1 0 294.399 2.975 20 5 CFBDRO Cn1cc(C[NH2+][C@@H]2CCCC23CCCCC3)c([N+](=O)[O-])n1 ZINC000602885338 351058427 /nfs/dbraw/zinc/05/84/27/351058427.db2.gz ULZLOBAQJYWFSN-CYBMUJFWSA-N 1 0 292.383 2.921 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000602902422 351061510 /nfs/dbraw/zinc/06/15/10/351061510.db2.gz LPCZPIDTEOOZTP-KBPBESRZSA-N 1 0 292.383 2.754 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000602903791 351061578 /nfs/dbraw/zinc/06/15/78/351061578.db2.gz RPEVISDYYLCZIV-PKSQDBQZSA-N 1 0 298.362 2.606 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997666 351088001 /nfs/dbraw/zinc/08/80/01/351088001.db2.gz OPTZLXAQQMBLEN-OAGGEKHMSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997668 351088444 /nfs/dbraw/zinc/08/84/44/351088444.db2.gz OPTZLXAQQMBLEN-XHSDSOJGSA-N 1 0 290.363 2.720 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000603406914 351158504 /nfs/dbraw/zinc/15/85/04/351158504.db2.gz NXGVWINZFOLJQM-GHMZBOCLSA-N 1 0 284.747 2.538 20 5 CFBDRO COC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000603428835 351163166 /nfs/dbraw/zinc/16/31/66/351163166.db2.gz SBRPYAAIWUMWIJ-HZMBPMFUSA-N 1 0 278.352 2.942 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000603433437 351164170 /nfs/dbraw/zinc/16/41/70/351164170.db2.gz NJTSMIZPZBSKBV-XUJVJEKNSA-N 1 0 277.368 2.543 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000603434970 351164207 /nfs/dbraw/zinc/16/42/07/351164207.db2.gz VNBZRPLKAGLBNP-SCVCMEIPSA-N 1 0 283.397 2.604 20 5 CFBDRO CC(C)[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603846034 351185622 /nfs/dbraw/zinc/18/56/22/351185622.db2.gz WVMQITWFCUJBRP-CYBMUJFWSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604379695 351209162 /nfs/dbraw/zinc/20/91/62/351209162.db2.gz GIAMTXYSDRQTBQ-UPJWGTAASA-N 1 0 292.383 2.768 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000604409247 351211631 /nfs/dbraw/zinc/21/16/31/351211631.db2.gz IIETXWHBKJCUQV-ZJUUUORDSA-N 1 0 267.354 2.695 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000604540031 351217942 /nfs/dbraw/zinc/21/79/42/351217942.db2.gz UBMXAVWQDSRYPC-GFCCVEGCSA-N 1 0 263.341 2.562 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000609350630 351496896 /nfs/dbraw/zinc/49/68/96/351496896.db2.gz FALYWJRQSBTNOQ-NSHDSACASA-N 1 0 281.381 2.721 20 5 CFBDRO CC1(C)C[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609572409 351509139 /nfs/dbraw/zinc/50/91/39/351509139.db2.gz HLEYECFCSUCINE-NSHDSACASA-N 1 0 292.335 2.502 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000610273179 351545972 /nfs/dbraw/zinc/54/59/72/351545972.db2.gz PTBXMFVCWPTUCJ-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000610279790 351548037 /nfs/dbraw/zinc/54/80/37/351548037.db2.gz BKFBYGCQWJGSEB-IUCAKERBSA-N 1 0 255.343 2.551 20 5 CFBDRO CN(C)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417338106 233691599 /nfs/dbraw/zinc/69/15/99/233691599.db2.gz YBMNBVUAFAGHKL-OAHLLOKOSA-N 1 0 277.368 2.514 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCOC1 ZINC000610476271 351568867 /nfs/dbraw/zinc/56/88/67/351568867.db2.gz YOLMVYUGCNBSOT-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610517772 351576562 /nfs/dbraw/zinc/57/65/62/351576562.db2.gz QRMQMSDEMZXPFT-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000610550194 351580981 /nfs/dbraw/zinc/58/09/81/351580981.db2.gz KBPHLJFNMWCSCX-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000610575766 351582592 /nfs/dbraw/zinc/58/25/92/351582592.db2.gz NXHRUDSRDRTWCR-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO Cn1cccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610763326 351605336 /nfs/dbraw/zinc/60/53/36/351605336.db2.gz DCKLBNHAJKYOEA-UHFFFAOYSA-N 1 0 273.336 2.608 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000610782679 351607259 /nfs/dbraw/zinc/60/72/59/351607259.db2.gz IVXJEVZFLFOMIA-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000610804404 351610333 /nfs/dbraw/zinc/61/03/33/351610333.db2.gz YZYXSDWKKKDRPV-RYUDHWBXSA-N 1 0 264.325 2.590 20 5 CFBDRO CC[N@@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092031 351639802 /nfs/dbraw/zinc/63/98/02/351639802.db2.gz HCXJISLOKTZZAT-CHWSQXEVSA-N 1 0 277.368 2.682 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179552 351648218 /nfs/dbraw/zinc/64/82/18/351648218.db2.gz DWWSAPMELWZBAC-SNVBAGLBSA-N 1 0 286.278 2.561 20 5 CFBDRO CCCC[N@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611251258 351657681 /nfs/dbraw/zinc/65/76/81/351657681.db2.gz QEQYITUFXDEAJQ-UHFFFAOYSA-N 1 0 294.351 2.988 20 5 CFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)C ZINC000611262693 351660178 /nfs/dbraw/zinc/66/01/78/351660178.db2.gz QSBMCYFKDJYSKS-UHFFFAOYSA-N 1 0 294.351 2.844 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3sccc3[N+](=O)[O-])CC[C@H]21 ZINC000611413823 351686575 /nfs/dbraw/zinc/68/65/75/351686575.db2.gz YUAMOWHCUTVART-GHMZBOCLSA-N 1 0 281.381 2.577 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC1(C)C ZINC000611468929 351694235 /nfs/dbraw/zinc/69/42/35/351694235.db2.gz UWBVLZHWZJIOAK-ZWNOBZJWSA-N 1 0 291.351 2.700 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000611336015 351669262 /nfs/dbraw/zinc/66/92/62/351669262.db2.gz NXPIRQVBDZTJRM-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO O=[N+]([O-])c1ccc2ncnc(N3CCc4c[nH+]ccc43)c2c1 ZINC000611706897 351727056 /nfs/dbraw/zinc/72/70/56/351727056.db2.gz HNXGVRSHFDYBBF-UHFFFAOYSA-N 1 0 293.286 2.627 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](OC(F)F)C2)cs1 ZINC000611578539 351711638 /nfs/dbraw/zinc/71/16/38/351711638.db2.gz PYQBHHVRDXLPPR-VIFPVBQESA-N 1 0 292.307 2.860 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122264816 187023468 /nfs/dbraw/zinc/02/34/68/187023468.db2.gz ZCRZMHGKWNNGSJ-QWRGUYRKSA-N 1 0 261.325 2.632 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000123188549 187076250 /nfs/dbraw/zinc/07/62/50/187076250.db2.gz ZITOKCDDUFYILS-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CCC[C@H]([NH2+][C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122857370 187055809 /nfs/dbraw/zinc/05/58/09/187055809.db2.gz BYKAXKUXYIBEIP-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000124235403 187127881 /nfs/dbraw/zinc/12/78/81/187127881.db2.gz VPVVRLGNKHQLRS-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123655760 187103313 /nfs/dbraw/zinc/10/33/13/187103313.db2.gz PFVRYEKOFMSRIN-TZMCWYRMSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123742226 187107520 /nfs/dbraw/zinc/10/75/20/187107520.db2.gz BLCAFDOTUKYIEI-SMDDNHRTSA-N 1 0 296.342 2.859 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131679611 187580510 /nfs/dbraw/zinc/58/05/10/187580510.db2.gz ABTWVQSYIAVLKC-ZDUSSCGKSA-N 1 0 275.352 2.517 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])s1 ZINC000614982761 352139828 /nfs/dbraw/zinc/13/98/28/352139828.db2.gz OSZYYRADEHSRID-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)n[nH]1 ZINC000615724218 352236348 /nfs/dbraw/zinc/23/63/48/352236348.db2.gz SQVAIWYSRNVEKG-IZZDOVSWSA-N 1 0 286.335 2.819 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000616051827 352278008 /nfs/dbraw/zinc/27/80/08/352278008.db2.gz KCGKXTPRYNNCBO-MRXNPFEDSA-N 1 0 292.379 2.668 20 5 CFBDRO COCCCOCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271488010 191168700 /nfs/dbraw/zinc/16/87/00/191168700.db2.gz HNMIWOSKZAHCHU-CYBMUJFWSA-N 1 0 296.367 2.641 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000221820596 539890337 /nfs/dbraw/zinc/89/03/37/539890337.db2.gz RMQAQMIHBFYEON-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271597750 191233510 /nfs/dbraw/zinc/23/35/10/191233510.db2.gz ZEDMYEJHUXYZDT-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1ccsc1NCC1CC[NH+](C2CC2)CC1 ZINC000618345874 352756051 /nfs/dbraw/zinc/75/60/51/352756051.db2.gz BVKULWZBXSULGK-UHFFFAOYSA-N 1 0 281.381 2.943 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)CC1CC1)CCC2 ZINC000618572355 352814611 /nfs/dbraw/zinc/81/46/11/352814611.db2.gz YRFKVBSQFUMZCO-CJNGLKHVSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCn1ccnc1 ZINC000271627068 191248163 /nfs/dbraw/zinc/24/81/63/191248163.db2.gz GCODGUVITNKKJY-ZDUSSCGKSA-N 1 0 288.351 2.874 20 5 CFBDRO C[C@H]1CC[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000292221051 198207495 /nfs/dbraw/zinc/20/74/95/198207495.db2.gz VADZVGXSAZESAW-NWDGAFQWSA-N 1 0 278.352 2.987 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000619426590 353020826 /nfs/dbraw/zinc/02/08/26/353020826.db2.gz IRQUTHLPXXTZEC-GXTWGEPZSA-N 1 0 294.351 2.651 20 5 CFBDRO COC(=O)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000280449746 290976659 /nfs/dbraw/zinc/97/66/59/290976659.db2.gz NNUCGZIMMMCMBQ-UHFFFAOYSA-N 1 0 292.335 2.560 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2(C[NH+](C)C)CCC2)n1 ZINC000619588959 353038756 /nfs/dbraw/zinc/03/87/56/353038756.db2.gz QFXZNDHJOARQJM-UHFFFAOYSA-N 1 0 278.356 2.503 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152733032 188039420 /nfs/dbraw/zinc/03/94/20/188039420.db2.gz JZHVLWLSNSCYEL-JQWIXIFHSA-N 1 0 266.341 2.979 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152817825 188045236 /nfs/dbraw/zinc/04/52/36/188045236.db2.gz VWXRPLIZYJCDDJ-VXGBXAGGSA-N 1 0 276.336 2.835 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000154560863 188150417 /nfs/dbraw/zinc/15/04/17/188150417.db2.gz QWGWMPDCNGOOMI-JSGCOSHPSA-N 1 0 277.368 2.648 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000154611466 188153472 /nfs/dbraw/zinc/15/34/72/188153472.db2.gz BZJIYJNRQLQJKB-WFASDCNBSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000157387475 188313444 /nfs/dbraw/zinc/31/34/44/188313444.db2.gz YPDRKGANJVJBIY-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667212 188387968 /nfs/dbraw/zinc/38/79/68/188387968.db2.gz QIBUIMJEOOLHOI-HIFRSBDPSA-N 1 0 289.379 2.511 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000271878949 191386336 /nfs/dbraw/zinc/38/63/36/191386336.db2.gz OWWRNZKCEKOUDK-CFVMTHIKSA-N 1 0 288.347 2.642 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272422608 191712783 /nfs/dbraw/zinc/71/27/83/191712783.db2.gz MAFPLHVREWUBQO-VXGBXAGGSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1nnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000273596197 192223190 /nfs/dbraw/zinc/22/31/90/192223190.db2.gz KFPUJCXGRBCZEB-VIFPVBQESA-N 1 0 292.364 2.648 20 5 CFBDRO COc1cc(OC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000567808485 290496081 /nfs/dbraw/zinc/49/60/81/290496081.db2.gz REYZMUJQRGIUSF-HAQNSBGRSA-N 1 0 294.351 2.747 20 5 CFBDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000294910886 199243794 /nfs/dbraw/zinc/24/37/94/199243794.db2.gz APSBBEROQSUDJK-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000294922883 199250654 /nfs/dbraw/zinc/25/06/54/199250654.db2.gz GYCITWIVBHDXBR-XHDPSFHLSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCC([NH+](C)C)CC1 ZINC000420620360 236658766 /nfs/dbraw/zinc/65/87/66/236658766.db2.gz BRTDAHRQEBULHS-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422560808 237104618 /nfs/dbraw/zinc/10/46/18/237104618.db2.gz HQOKBVRUZXQMIH-NFAWXSAZSA-N 1 0 291.395 2.708 20 5 CFBDRO CC(C)[N@H+](CCc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000297666276 200256607 /nfs/dbraw/zinc/25/66/07/200256607.db2.gz JUPODWGMGDPTHP-UHFFFAOYSA-N 1 0 288.351 2.771 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000178163918 189094628 /nfs/dbraw/zinc/09/46/28/189094628.db2.gz PMICOLMWPJHRGT-LBPRGKRZSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000178280392 189102460 /nfs/dbraw/zinc/10/24/60/189102460.db2.gz YDLWMQIZSAGFAD-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653236 189134890 /nfs/dbraw/zinc/13/48/90/189134890.db2.gz IHXGQKNHMGTAGA-GFCCVEGCSA-N 1 0 288.351 2.612 20 5 CFBDRO COCCC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000178734228 189141692 /nfs/dbraw/zinc/14/16/92/189141692.db2.gz FUMUPWZKADJVHC-LBPRGKRZSA-N 1 0 266.341 2.542 20 5 CFBDRO CCSCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454617 189256754 /nfs/dbraw/zinc/25/67/54/189256754.db2.gz IVSBOYVZKXCGDO-JTQLQIEISA-N 1 0 254.355 2.999 20 5 CFBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301096472 200914187 /nfs/dbraw/zinc/91/41/87/200914187.db2.gz KKIPTZXGLGBOGD-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000301440728 201010580 /nfs/dbraw/zinc/01/05/80/201010580.db2.gz MEONNVYKEGFCMQ-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000301465392 201019749 /nfs/dbraw/zinc/01/97/49/201019749.db2.gz HJMLGEBNEJLGKS-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000301570348 201073032 /nfs/dbraw/zinc/07/30/32/201073032.db2.gz OBEUWKGRYYHRAH-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO COc1cc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000301642494 201112076 /nfs/dbraw/zinc/11/20/76/201112076.db2.gz ZJDVVEJMMOLMBT-UHFFFAOYSA-N 1 0 299.346 2.742 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC(=O)OC(C)(C)C ZINC000183482652 189359902 /nfs/dbraw/zinc/35/99/02/189359902.db2.gz ITXTVXMCFIOISS-UHFFFAOYSA-N 1 0 294.351 2.725 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183339692 189355246 /nfs/dbraw/zinc/35/52/46/189355246.db2.gz UTQRRRDOJXMCIQ-CYBMUJFWSA-N 1 0 278.352 2.762 20 5 CFBDRO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000184249958 189380418 /nfs/dbraw/zinc/38/04/18/189380418.db2.gz UAWVEKXEGKMJJX-UHFFFAOYSA-N 1 0 270.304 2.973 20 5 CFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301782169 201193841 /nfs/dbraw/zinc/19/38/41/201193841.db2.gz JYBMBTSMZIIFTE-CYBMUJFWSA-N 1 0 292.383 2.912 20 5 CFBDRO CO[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000425416144 239052554 /nfs/dbraw/zinc/05/25/54/239052554.db2.gz KAMDKWSSPMJEOH-INIZCTEOSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000301980399 201284941 /nfs/dbraw/zinc/28/49/41/201284941.db2.gz ARJBBMZGIUVLIM-IUCAKERBSA-N 1 0 267.354 2.693 20 5 CFBDRO O=[N+]([O-])c1ccsc1NCC[NH+]1CCCCC1 ZINC000301979962 201286006 /nfs/dbraw/zinc/28/60/06/201286006.db2.gz GIKMADZKZDYYDF-UHFFFAOYSA-N 1 0 255.343 2.554 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1sccc1[N+](=O)[O-] ZINC000301984657 201286841 /nfs/dbraw/zinc/28/68/41/201286841.db2.gz IZJUECHIFQGMPF-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO COCC(C)(C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000426076925 239164824 /nfs/dbraw/zinc/16/48/24/239164824.db2.gz KBZITDAIIZYDMY-UHFFFAOYSA-N 1 0 266.341 2.699 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286490309 291306686 /nfs/dbraw/zinc/30/66/86/291306686.db2.gz RIAOBHMQXQJCDJ-WCQYABFASA-N 1 0 293.342 2.797 20 5 CFBDRO COc1cccc(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000275380613 193014693 /nfs/dbraw/zinc/01/46/93/193014693.db2.gz BJAKVRQWRPVLIV-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000275763888 193122642 /nfs/dbraw/zinc/12/26/42/193122642.db2.gz SDPITQOBOCFNAZ-NEPJUHHUSA-N 1 0 262.309 2.938 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642135 241157706 /nfs/dbraw/zinc/15/77/06/241157706.db2.gz QYIYKZGQKVVLLH-JTQLQIEISA-N 1 0 276.340 2.949 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](C4CC4)C3)nc2c1 ZINC000444682233 241167262 /nfs/dbraw/zinc/16/72/62/241167262.db2.gz ZFSGZQSDXFDVMJ-NSHDSACASA-N 1 0 286.335 2.703 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)CC1([NH+](C)C)CCC1 ZINC000302491852 201462337 /nfs/dbraw/zinc/46/23/37/201462337.db2.gz KILJQOSESCWXNY-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000449632837 242081577 /nfs/dbraw/zinc/08/15/77/242081577.db2.gz NXNVSRQSNDTNLX-LSDHHAIUSA-N 1 0 290.363 2.984 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000449567747 242036025 /nfs/dbraw/zinc/03/60/25/242036025.db2.gz YGDHJXDIRMWZJD-CYBMUJFWSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cs1 ZINC000449743050 242130693 /nfs/dbraw/zinc/13/06/93/242130693.db2.gz UGRXTYJCITUWOM-QWRGUYRKSA-N 1 0 252.339 2.792 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450273207 242335238 /nfs/dbraw/zinc/33/52/38/242335238.db2.gz AYRLQPMBJNQZQO-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452000589 243008211 /nfs/dbraw/zinc/00/82/11/243008211.db2.gz BXQJQAXYJIXGPV-NSHDSACASA-N 1 0 291.351 2.796 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453389512 243547592 /nfs/dbraw/zinc/54/75/92/243547592.db2.gz RKJDNAYOYHRSJP-OSAQELSMSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000459489213 245196470 /nfs/dbraw/zinc/19/64/70/245196470.db2.gz XJGULADOMMEZKI-PHIMTYICSA-N 1 0 283.397 2.571 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC2(C1)CCOCC2 ZINC000459608388 245238312 /nfs/dbraw/zinc/23/83/12/245238312.db2.gz ABLQBITWZFKNNP-HWKANZROSA-N 1 0 288.347 2.720 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459645576 245258898 /nfs/dbraw/zinc/25/88/98/245258898.db2.gz LOYHUQKUHORMEM-HMDMIVDLSA-N 1 0 276.336 2.765 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCCC2)n1 ZINC000331694665 204081719 /nfs/dbraw/zinc/08/17/19/204081719.db2.gz ZOPPIYUWWSAHDV-STQMWFEESA-N 1 0 278.356 2.807 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCCC2)n1 ZINC000331694662 204082142 /nfs/dbraw/zinc/08/21/42/204082142.db2.gz ZOPPIYUWWSAHDV-CHWSQXEVSA-N 1 0 278.356 2.807 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459798804 245332678 /nfs/dbraw/zinc/33/26/78/245332678.db2.gz XYXYIJPJOYIJLX-UONOGXRCSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461955199 245375577 /nfs/dbraw/zinc/37/55/77/245375577.db2.gz FCTKBMRVYYQCIB-ZYHUDNBSSA-N 1 0 281.331 2.937 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(NCC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000236204336 189832636 /nfs/dbraw/zinc/83/26/36/189832636.db2.gz AWFSZAKWWHAYBT-VIFPVBQESA-N 1 0 285.294 2.675 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+](CC)CC ZINC000001719686 371701739 /nfs/dbraw/zinc/70/17/39/371701739.db2.gz BWQYFOQXHNGPPU-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000020092525 372227788 /nfs/dbraw/zinc/22/77/88/372227788.db2.gz CDMYUIXXQCNEFX-YPMHNXCESA-N 1 0 264.325 2.733 20 5 CFBDRO CCC[C@@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091901 372229183 /nfs/dbraw/zinc/22/91/83/372229183.db2.gz BXJRGYVUFJRAEI-OAHLLOKOSA-N 1 0 279.384 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000023042833 372251141 /nfs/dbraw/zinc/25/11/41/372251141.db2.gz RXAPIGZMIFETTE-CQSZACIVSA-N 1 0 298.346 2.676 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C(C)C ZINC000036722107 372586749 /nfs/dbraw/zinc/58/67/49/372586749.db2.gz NSQXWESBACWHMN-JTQLQIEISA-N 1 0 252.314 2.738 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000036794662 372596053 /nfs/dbraw/zinc/59/60/53/372596053.db2.gz PSRXKWJLVYSWCO-SMDDNHRTSA-N 1 0 293.367 2.550 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000037010488 372627176 /nfs/dbraw/zinc/62/71/76/372627176.db2.gz LFRPLJFRGQVROF-UONOGXRCSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000037010490 372627251 /nfs/dbraw/zinc/62/72/51/372627251.db2.gz LFRPLJFRGQVROF-ZIAGYGMSSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000037156966 372659769 /nfs/dbraw/zinc/65/97/69/372659769.db2.gz UHPFTLGXYYASTJ-CHWSQXEVSA-N 1 0 288.351 2.839 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000037647747 372682806 /nfs/dbraw/zinc/68/28/06/372682806.db2.gz DUNWLUGPSYTGHM-VIFPVBQESA-N 1 0 269.732 2.612 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000037738367 372694015 /nfs/dbraw/zinc/69/40/15/372694015.db2.gz KLIITKHKTRTGFJ-NWDGAFQWSA-N 1 0 264.325 2.590 20 5 CFBDRO CCC[C@H]([NH2+]CCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041119402 372817903 /nfs/dbraw/zinc/81/79/03/372817903.db2.gz AGWBOPBKMBTTQG-HNNXBMFYSA-N 1 0 288.351 2.922 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042816130 372958053 /nfs/dbraw/zinc/95/80/53/372958053.db2.gz NLCKOUWGCUXANP-CYBMUJFWSA-N 1 0 264.325 2.562 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000042814758 372958319 /nfs/dbraw/zinc/95/83/19/372958319.db2.gz CQDUGRZTTBPIBI-NEPJUHHUSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000045653778 373025017 /nfs/dbraw/zinc/02/50/17/373025017.db2.gz NKBSQAWEJFXKCP-GFCCVEGCSA-N 1 0 263.341 2.798 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963544 373336956 /nfs/dbraw/zinc/33/69/56/373336956.db2.gz SXQMHDMBZHBXFX-NSHDSACASA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCO2)c(Cl)c1 ZINC000049963243 373337099 /nfs/dbraw/zinc/33/70/99/373337099.db2.gz VSBSCWSBBTWEPZ-NSHDSACASA-N 1 0 270.716 2.517 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963545 373338254 /nfs/dbraw/zinc/33/82/54/373338254.db2.gz SXQMHDMBZHBXFX-LLVKDONJSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050182604 373361655 /nfs/dbraw/zinc/36/16/55/373361655.db2.gz SVDARDRXCPUQFT-NSHDSACASA-N 1 0 288.351 2.910 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000050371322 373372245 /nfs/dbraw/zinc/37/22/45/373372245.db2.gz LGLPLSYYLSAEMG-TZMCWYRMSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926207 373459084 /nfs/dbraw/zinc/45/90/84/373459084.db2.gz YRCLPNBYPLMOPX-ZIAGYGMSSA-N 1 0 264.325 2.642 20 5 CFBDRO CC(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000053361040 373474605 /nfs/dbraw/zinc/47/46/05/373474605.db2.gz CVLOQIVCDUUYFS-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[N@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000054128037 373499897 /nfs/dbraw/zinc/49/98/97/373499897.db2.gz VUJBDCUFBBAFPC-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000058003339 373622721 /nfs/dbraw/zinc/62/27/21/373622721.db2.gz ZOGGPBQBDPMGKH-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1ccc(CNC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057994321 373620508 /nfs/dbraw/zinc/62/05/08/373620508.db2.gz IUXFBIFTQUVVJH-CYBMUJFWSA-N 1 0 291.395 2.725 20 5 CFBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000061164141 373713623 /nfs/dbraw/zinc/71/36/23/373713623.db2.gz ZFISJZBHXXFOMY-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1c(C[NH2+][C@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000289579659 197410071 /nfs/dbraw/zinc/41/00/71/197410071.db2.gz QDWWIGPCZOFMCL-CQSZACIVSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000062078322 373746793 /nfs/dbraw/zinc/74/67/93/373746793.db2.gz BTHIUCSEWZAAHQ-KGLIPLIRSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000062077288 373746984 /nfs/dbraw/zinc/74/69/84/373746984.db2.gz SILGBBYGQDTWIF-UONOGXRCSA-N 1 0 291.395 2.977 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000062351182 373759615 /nfs/dbraw/zinc/75/96/15/373759615.db2.gz QZWQEGYCOHMTLT-AWEZNQCLSA-N 1 0 264.325 2.504 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000062999673 373778668 /nfs/dbraw/zinc/77/86/68/373778668.db2.gz DFUVRNMWDQNBGO-BLLLJJGKSA-N 1 0 286.331 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000072559681 374263892 /nfs/dbraw/zinc/26/38/92/374263892.db2.gz BQFJWFPIQRSIPV-UHFFFAOYSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C ZINC000072874959 374297919 /nfs/dbraw/zinc/29/79/19/374297919.db2.gz KUFZGPMIKCPCLZ-GFCCVEGCSA-N 1 0 291.351 2.716 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287518 374411930 /nfs/dbraw/zinc/41/19/30/374411930.db2.gz CPKCEYZBNYPJOH-HZPDHXFCSA-N 1 0 292.379 2.763 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000079735232 374628766 /nfs/dbraw/zinc/62/87/66/374628766.db2.gz PSYHSARKGMDQDE-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000083417298 374744754 /nfs/dbraw/zinc/74/47/54/374744754.db2.gz HXKWERHSQCEXFR-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000090537794 375019157 /nfs/dbraw/zinc/01/91/57/375019157.db2.gz NHULGMBJHQGBFQ-LLVKDONJSA-N 1 0 280.353 2.594 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482246 375252720 /nfs/dbraw/zinc/25/27/20/375252720.db2.gz DXZQQGMGIGUSPR-BPFGOOJPSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482247 375253043 /nfs/dbraw/zinc/25/30/43/375253043.db2.gz DXZQQGMGIGUSPR-DKIZZRPMSA-N 1 0 290.363 2.843 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094948931 375395323 /nfs/dbraw/zinc/39/53/23/375395323.db2.gz ILONJVGXHMPMCE-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094371418 375359350 /nfs/dbraw/zinc/35/93/50/375359350.db2.gz SSVBGLDIKMBBEK-CYBMUJFWSA-N 1 0 276.336 2.786 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774801 375377178 /nfs/dbraw/zinc/37/71/78/375377178.db2.gz STFPBNHABUQNEE-CYBMUJFWSA-N 1 0 295.358 2.650 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111404196 375845291 /nfs/dbraw/zinc/84/52/91/375845291.db2.gz SICAVVFYFPLDCU-NSHDSACASA-N 1 0 272.370 2.543 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCCO ZINC000571627586 383710540 /nfs/dbraw/zinc/71/05/40/383710540.db2.gz YPTLHVIMKFJODM-GFCCVEGCSA-N 1 0 266.341 2.716 20 5 CFBDRO C[C@H]1SCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000118414586 376296143 /nfs/dbraw/zinc/29/61/43/376296143.db2.gz UZVLXEGGDMEVBV-GHMZBOCLSA-N 1 0 266.366 2.921 20 5 CFBDRO C[C@H]1SCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118419810 376297069 /nfs/dbraw/zinc/29/70/69/376297069.db2.gz RWTPXOZBFRACBI-NWDGAFQWSA-N 1 0 296.392 2.799 20 5 CFBDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120001677 376524410 /nfs/dbraw/zinc/52/44/10/376524410.db2.gz URIYZYVCJHHBJM-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCC1 ZINC000121010597 376743550 /nfs/dbraw/zinc/74/35/50/376743550.db2.gz YAHOKERWZDDSAY-ZDUSSCGKSA-N 1 0 277.368 2.683 20 5 CFBDRO CCC[C@@H]([NH2+]CCCNC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000121396527 376823186 /nfs/dbraw/zinc/82/31/86/376823186.db2.gz LSEWWULPACVOKL-OAHLLOKOSA-N 1 0 293.367 2.552 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000125225687 377128576 /nfs/dbraw/zinc/12/85/76/377128576.db2.gz VXWJXHGZOOKAOU-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000129636586 377453310 /nfs/dbraw/zinc/45/33/10/377453310.db2.gz BDUHQGMWPRSZFF-ZDUSSCGKSA-N 1 0 292.383 2.688 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624765 377454136 /nfs/dbraw/zinc/45/41/36/377454136.db2.gz KXPXDURCCWXKFL-OBJOEFQTSA-N 1 0 289.379 2.871 20 5 CFBDRO CC[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129770231 377471328 /nfs/dbraw/zinc/47/13/28/377471328.db2.gz NKADQNDWCCRQHJ-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO CC(C)c1ccc(C[N@@H+](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000130823181 377617827 /nfs/dbraw/zinc/61/78/27/377617827.db2.gz UMVQFCZVGVKPHV-NSHDSACASA-N 1 0 266.341 2.531 20 5 CFBDRO CC[C@@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000130795583 377612443 /nfs/dbraw/zinc/61/24/43/377612443.db2.gz MJPUQNFWZYXKCO-CYBMUJFWSA-N 1 0 264.325 2.551 20 5 CFBDRO Cc1nc(NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000133362764 377923437 /nfs/dbraw/zinc/92/34/37/377923437.db2.gz IQDXFNPVXWYQFH-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO COc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000134928126 378065136 /nfs/dbraw/zinc/06/51/36/378065136.db2.gz PBMPCXMFOGZRHX-VXGBXAGGSA-N 1 0 291.351 2.642 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CC1 ZINC000135302398 378113237 /nfs/dbraw/zinc/11/32/37/378113237.db2.gz XTRGXENQLHSDRF-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CSC ZINC000135480341 378138178 /nfs/dbraw/zinc/13/81/78/378138178.db2.gz OMWKPINYODBBLX-ZDUSSCGKSA-N 1 0 296.392 2.931 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC1CC1 ZINC000135271547 378108757 /nfs/dbraw/zinc/10/87/57/378108757.db2.gz ZJWAARAIWKPJOF-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150832518 378275964 /nfs/dbraw/zinc/27/59/64/378275964.db2.gz HHLMNXMAWGQREK-HNNXBMFYSA-N 1 0 289.379 2.513 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000151193918 378305473 /nfs/dbraw/zinc/30/54/73/378305473.db2.gz CSCBEZVCAKNZIR-QWHCGFSZSA-N 1 0 280.368 2.961 20 5 CFBDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000154350800 378560554 /nfs/dbraw/zinc/56/05/54/378560554.db2.gz UDCPBBIDFOUACE-UHFFFAOYSA-N 1 0 279.340 2.607 20 5 CFBDRO C[C@H]1COC(C)(C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331119288 378635636 /nfs/dbraw/zinc/63/56/36/378635636.db2.gz OVZXYFSVRBGTOI-LBPRGKRZSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000155098408 378611480 /nfs/dbraw/zinc/61/14/80/378611480.db2.gz WHPAZBVFCVXMSH-GFCCVEGCSA-N 1 0 263.341 2.657 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331309985 378666303 /nfs/dbraw/zinc/66/63/03/378666303.db2.gz BQYRRCIJXAAKHQ-TXEJJXNPSA-N 1 0 291.351 2.796 20 5 CFBDRO Cc1c(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331191856 378647236 /nfs/dbraw/zinc/64/72/36/378647236.db2.gz QAKNNOMLZRXOQL-IUODEOHRSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332261350 378741720 /nfs/dbraw/zinc/74/17/20/378741720.db2.gz FNVDTFXVNKKGTQ-XZJROXQQSA-N 1 0 289.379 2.702 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H](C)C1 ZINC000332315741 378746405 /nfs/dbraw/zinc/74/64/05/378746405.db2.gz YLCFYGQSVKPGIC-NWDGAFQWSA-N 1 0 264.325 2.624 20 5 CFBDRO CCOCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000161891273 378878721 /nfs/dbraw/zinc/87/87/21/378878721.db2.gz USDOXJROPJMQIQ-CQSZACIVSA-N 1 0 278.352 2.542 20 5 CFBDRO CC(C)OCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200046 379010185 /nfs/dbraw/zinc/01/01/85/379010185.db2.gz UXBSVAAFUQIAIC-LLVKDONJSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278689735 194104993 /nfs/dbraw/zinc/10/49/93/194104993.db2.gz MTVMFLCRHWIWLQ-VHSXEESVSA-N 1 0 274.324 2.749 20 5 CFBDRO Cc1cc(N[C@@H](C)[C@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167382004 379070173 /nfs/dbraw/zinc/07/01/73/379070173.db2.gz DOQHCIJJYIRPFC-KOLCDFICSA-N 1 0 289.335 2.880 20 5 CFBDRO Cc1cc(N(C)CC[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167383848 379070584 /nfs/dbraw/zinc/07/05/84/379070584.db2.gz SSONKNRQNDTYML-LLVKDONJSA-N 1 0 289.335 2.659 20 5 CFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350820 379071102 /nfs/dbraw/zinc/07/11/02/379071102.db2.gz FXZMNOXIMJNIFJ-ZYHUDNBSSA-N 1 0 298.770 2.984 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000169045016 379104059 /nfs/dbraw/zinc/10/40/59/379104059.db2.gz DSCCFAYQKVYXSL-VXGBXAGGSA-N 1 0 279.315 2.773 20 5 CFBDRO Cc1c(C[N@@H+]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000171690659 379373909 /nfs/dbraw/zinc/37/39/09/379373909.db2.gz NMUGLZIOIWFILD-SNVBAGLBSA-N 1 0 266.366 2.841 20 5 CFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000171734222 379389298 /nfs/dbraw/zinc/38/92/98/379389298.db2.gz RKOPVXLYWKAFON-LLVKDONJSA-N 1 0 294.351 2.805 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171949790 379447005 /nfs/dbraw/zinc/44/70/05/379447005.db2.gz JCBAEEVXBQPQHN-GFCCVEGCSA-N 1 0 293.367 2.901 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279002165 194246139 /nfs/dbraw/zinc/24/61/39/194246139.db2.gz FZCLKMSNPZAJGI-AWEZNQCLSA-N 1 0 278.352 2.679 20 5 CFBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172717725 379631134 /nfs/dbraw/zinc/63/11/34/379631134.db2.gz MNRYLFOBPDABSQ-LLVKDONJSA-N 1 0 292.314 2.623 20 5 CFBDRO Cc1cnc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172807635 379651157 /nfs/dbraw/zinc/65/11/57/379651157.db2.gz HVPZZBHADPCXDI-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392950 379733573 /nfs/dbraw/zinc/73/35/73/379733573.db2.gz OOUBJYBNERESBF-NWDGAFQWSA-N 1 0 277.368 2.728 20 5 CFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000174133210 379833175 /nfs/dbraw/zinc/83/31/75/379833175.db2.gz ZKRIRNMKALGVRI-GWCFXTLKSA-N 1 0 284.381 2.950 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C(C)(C)CCO)cc1[N+](=O)[O-] ZINC000174579168 379912080 /nfs/dbraw/zinc/91/20/80/379912080.db2.gz NTMCEJNMNISVIE-UHFFFAOYSA-N 1 0 280.368 2.969 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000174956898 379968425 /nfs/dbraw/zinc/96/84/25/379968425.db2.gz VSZIPNVWGFQLRR-GFCCVEGCSA-N 1 0 297.424 2.820 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC1 ZINC000175271447 380034671 /nfs/dbraw/zinc/03/46/71/380034671.db2.gz DGLMKESLMRJDOZ-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264457674 383742642 /nfs/dbraw/zinc/74/26/42/383742642.db2.gz PBCWFSRYKVPNDS-AWEZNQCLSA-N 1 0 266.341 2.576 20 5 CFBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176199693 380193894 /nfs/dbraw/zinc/19/38/94/380193894.db2.gz FYEMYVKIRUBFCH-LLVKDONJSA-N 1 0 292.314 2.623 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@H+](CC2CCCCC2)C2CC2)n1 ZINC000176213240 380197577 /nfs/dbraw/zinc/19/75/77/380197577.db2.gz FUVFQNCAMKNDCD-UHFFFAOYSA-N 1 0 292.383 2.836 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC000177327484 380330649 /nfs/dbraw/zinc/33/06/49/380330649.db2.gz BVQDZIZDXCPHOP-CABCVRRESA-N 1 0 289.379 2.653 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000452029510 383745076 /nfs/dbraw/zinc/74/50/76/383745076.db2.gz JRZIBFIBWNVNCF-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000177877654 380389356 /nfs/dbraw/zinc/38/93/56/380389356.db2.gz LENCPTMMABEBQJ-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCSC ZINC000178503396 380458152 /nfs/dbraw/zinc/45/81/52/380458152.db2.gz XDTIGQQBLIUEDH-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000400606036 380864008 /nfs/dbraw/zinc/86/40/08/380864008.db2.gz GZQLMKRSVNAWKR-ZDUSSCGKSA-N 1 0 264.325 2.501 20 5 CFBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341217597 380836765 /nfs/dbraw/zinc/83/67/65/380836765.db2.gz YEQYLWGNNDGHKT-LBPRGKRZSA-N 1 0 274.324 2.569 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSCC[C@@H]1C ZINC000279228068 194342932 /nfs/dbraw/zinc/34/29/32/194342932.db2.gz IWXBYTFCKCGEGP-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000341282755 380898811 /nfs/dbraw/zinc/89/88/11/380898811.db2.gz OGDVDQUXQQUVDJ-SRVKXCTJSA-N 1 0 296.367 2.804 20 5 CFBDRO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000347165086 380980924 /nfs/dbraw/zinc/98/09/24/380980924.db2.gz JPFGBGCCRJMBPD-PKYBCLHXSA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000279292068 194370907 /nfs/dbraw/zinc/37/09/07/194370907.db2.gz PKKRJKMRDBHMCL-RYUDHWBXSA-N 1 0 264.325 2.752 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(F)C1 ZINC000347350090 381089591 /nfs/dbraw/zinc/08/95/91/381089591.db2.gz JFTGEYAEYSATPB-CQSZACIVSA-N 1 0 282.315 2.927 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000412015889 381090117 /nfs/dbraw/zinc/09/01/17/381090117.db2.gz ARHXCLJGSLKAPJ-GFCCVEGCSA-N 1 0 278.352 2.950 20 5 CFBDRO COC1([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412020304 381092762 /nfs/dbraw/zinc/09/27/62/381092762.db2.gz IDKUKZJDIDENDR-GFCCVEGCSA-N 1 0 294.351 2.521 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000289674838 381095471 /nfs/dbraw/zinc/09/54/71/381095471.db2.gz NTISBRWADKXUTN-OWNNVSBGSA-N 1 0 289.379 2.634 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000347375707 381107488 /nfs/dbraw/zinc/10/74/88/381107488.db2.gz KFVBVTLDRUAMRG-AHTUEQHWSA-N 1 0 290.363 2.701 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000347384760 381112950 /nfs/dbraw/zinc/11/29/50/381112950.db2.gz XVNWMWGRAZRZMC-DKMNWPJTSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[N@@H+](C)C(C)C ZINC000289833030 381179644 /nfs/dbraw/zinc/17/96/44/381179644.db2.gz OLSMKZDTSQSVHC-CYBMUJFWSA-N 1 0 279.384 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSCC(F)(F)F)cc1 ZINC000354288726 381185380 /nfs/dbraw/zinc/18/53/80/381185380.db2.gz FIGXWSYPEJVDGY-UHFFFAOYSA-N 1 0 294.298 2.980 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)O1 ZINC000183300375 381252360 /nfs/dbraw/zinc/25/23/60/381252360.db2.gz ZNNUWSQFSWRITI-SWLSCSKDSA-N 1 0 278.352 2.903 20 5 CFBDRO CCC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000296134749 381270544 /nfs/dbraw/zinc/27/05/44/381270544.db2.gz GFFFJLUNXXCZOC-UHFFFAOYSA-N 1 0 291.351 2.846 20 5 CFBDRO COc1cncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000290004629 381257084 /nfs/dbraw/zinc/25/70/84/381257084.db2.gz RWVFUULXUCTBCO-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000359102902 381268254 /nfs/dbraw/zinc/26/82/54/381268254.db2.gz IGCDYFCIEABAIP-ZDUSSCGKSA-N 1 0 292.383 2.893 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCOC1 ZINC000342284732 381246108 /nfs/dbraw/zinc/24/61/08/381246108.db2.gz FRMWJUVCYQWSON-CEFACKQISA-N 1 0 276.336 2.767 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000290078057 381290371 /nfs/dbraw/zinc/29/03/71/381290371.db2.gz GPFBZVGPOKANLH-MXWKQRLJSA-N 1 0 252.314 2.669 20 5 CFBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1 ZINC000347676242 381291743 /nfs/dbraw/zinc/29/17/43/381291743.db2.gz PRGXNDVSIUCULL-NWDGAFQWSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000359125798 381280675 /nfs/dbraw/zinc/28/06/75/381280675.db2.gz MBVKRWIWJAFJDU-MRVPVSSYSA-N 1 0 262.231 2.883 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000342420138 381323587 /nfs/dbraw/zinc/32/35/87/381323587.db2.gz QDJVATAFTZXGFY-CYBMUJFWSA-N 1 0 279.384 2.805 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000290199102 381338992 /nfs/dbraw/zinc/33/89/92/381338992.db2.gz OYZKZRWHKAENDP-MFKMUULPSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000354714712 381417009 /nfs/dbraw/zinc/41/70/09/381417009.db2.gz WGEJPTUVQYUJOQ-LJXYTEIVSA-N 1 0 276.336 2.765 20 5 CFBDRO CC(C)C(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000290397500 381412869 /nfs/dbraw/zinc/41/28/69/381412869.db2.gz SRLCUJUXYNQPPS-UHFFFAOYSA-N 1 0 264.325 2.642 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342600634 381426640 /nfs/dbraw/zinc/42/66/40/381426640.db2.gz UYLJXWSLENHPHW-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO CCOc1cc(N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000184787184 381478401 /nfs/dbraw/zinc/47/84/01/381478401.db2.gz PNYKMUFEUNJSLO-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO CCOc1cccc(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184787686 381478549 /nfs/dbraw/zinc/47/85/49/381478549.db2.gz UYERFJTWZSGAEH-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000290521898 381464483 /nfs/dbraw/zinc/46/44/83/381464483.db2.gz QBOLFXUIYXMWMG-UKRRQHHQSA-N 1 0 291.395 2.675 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000290577017 381485938 /nfs/dbraw/zinc/48/59/38/381485938.db2.gz AAZVUYONCUSIFK-SECBINFHSA-N 1 0 272.374 2.584 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000371066524 381541546 /nfs/dbraw/zinc/54/15/46/381541546.db2.gz SQBZAPDOCITWPK-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000371064466 381541696 /nfs/dbraw/zinc/54/16/96/381541696.db2.gz LQUXHBVDOHBVTH-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000290858011 381577097 /nfs/dbraw/zinc/57/70/97/381577097.db2.gz JMXSPTRQGRUSKJ-HNNXBMFYSA-N 1 0 292.379 2.790 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342823125 381569569 /nfs/dbraw/zinc/56/95/69/381569569.db2.gz UZUQBXHJHLMOEV-LLVKDONJSA-N 1 0 280.368 2.967 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(C(F)F)CC1 ZINC000355158087 381648989 /nfs/dbraw/zinc/64/89/89/381648989.db2.gz SMGSLVBZOOMCSY-UHFFFAOYSA-N 1 0 256.252 2.730 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(C(F)F)CC2)c1 ZINC000355147445 381642926 /nfs/dbraw/zinc/64/29/26/381642926.db2.gz HNMAECNBKXPLTL-UHFFFAOYSA-N 1 0 256.252 2.730 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000355213501 381682653 /nfs/dbraw/zinc/68/26/53/381682653.db2.gz RCZYGTJXBCLWAD-QWHCGFSZSA-N 1 0 296.392 2.905 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415000066 381691076 /nfs/dbraw/zinc/69/10/76/381691076.db2.gz ACDQZDXWNBRTLW-GHMZBOCLSA-N 1 0 289.335 2.680 20 5 CFBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754312 381736222 /nfs/dbraw/zinc/73/62/22/381736222.db2.gz NQXYOAVPVWNRQG-OCCSQVGLSA-N 1 0 278.352 2.637 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185821630 381745730 /nfs/dbraw/zinc/74/57/30/381745730.db2.gz XBGASYCPDHPOFX-KXMPLOMGSA-N 1 0 284.743 2.665 20 5 CFBDRO CC(C)c1ccc(CNCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415071381 381755662 /nfs/dbraw/zinc/75/56/62/381755662.db2.gz SWFPFPJWABMPFQ-UHFFFAOYSA-N 1 0 291.395 2.950 20 5 CFBDRO Cc1ccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292807739 381844416 /nfs/dbraw/zinc/84/44/16/381844416.db2.gz NYBUUHYKECBCTR-INIZCTEOSA-N 1 0 289.379 2.825 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000361260483 381815965 /nfs/dbraw/zinc/81/59/65/381815965.db2.gz DVLZJVGUINEHNP-OLZOCXBDSA-N 1 0 292.383 2.607 20 5 CFBDRO CCc1nocc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292871362 381877164 /nfs/dbraw/zinc/87/71/64/381877164.db2.gz AZZWTZVBDXEPOY-UHFFFAOYSA-N 1 0 289.335 2.820 20 5 CFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000292921434 381902518 /nfs/dbraw/zinc/90/25/18/381902518.db2.gz GGALENMARAKEIQ-HZMBPMFUSA-N 1 0 298.770 2.889 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186496869 381928540 /nfs/dbraw/zinc/92/85/40/381928540.db2.gz TXMRDOQMDVPFLE-PRXHZCDDSA-N 1 0 292.379 2.833 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000292900208 381893918 /nfs/dbraw/zinc/89/39/18/381893918.db2.gz AKIMYVINZXGAHB-HNNXBMFYSA-N 1 0 292.379 2.790 20 5 CFBDRO COCC1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000293020937 381953323 /nfs/dbraw/zinc/95/33/23/381953323.db2.gz QSVXHTPTCASSBL-UHFFFAOYSA-N 1 0 284.381 2.953 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293086067 381984954 /nfs/dbraw/zinc/98/49/54/381984954.db2.gz OGOZGVSMQQLDLR-CQSZACIVSA-N 1 0 289.379 2.825 20 5 CFBDRO CC(C)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293106486 381993218 /nfs/dbraw/zinc/99/32/18/381993218.db2.gz LKNBMXNNRFBXFW-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301060303 382068910 /nfs/dbraw/zinc/06/89/10/382068910.db2.gz BQDKHRBIYZURFP-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000417357826 382054319 /nfs/dbraw/zinc/05/43/19/382054319.db2.gz SEYDIKNSCLOYRU-ZDUSSCGKSA-N 1 0 291.395 2.600 20 5 CFBDRO CC[N@H+](CCNc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000357235851 382070424 /nfs/dbraw/zinc/07/04/24/382070424.db2.gz JJRNANLVHLXSGC-UHFFFAOYSA-N 1 0 299.346 2.885 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315647 382037791 /nfs/dbraw/zinc/03/77/91/382037791.db2.gz SQQWZOODRHUPDK-HOTGVXAUSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000357340598 382119220 /nfs/dbraw/zinc/11/92/20/382119220.db2.gz FEOHWEVCVFVHME-IJVDHGTGSA-N 1 0 276.336 2.767 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344093214 382124483 /nfs/dbraw/zinc/12/44/83/382124483.db2.gz DVHLQGLAXSISQB-DDTOSNHZSA-N 1 0 278.352 2.744 20 5 CFBDRO CC(C)C[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000301070387 382071821 /nfs/dbraw/zinc/07/18/21/382071821.db2.gz KWVNCCJXRBAURX-LBPRGKRZSA-N 1 0 265.357 2.983 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)CC1 ZINC000293309747 382071877 /nfs/dbraw/zinc/07/18/77/382071877.db2.gz WZRWVJGAZHICLF-NWDGAFQWSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301092667 382079445 /nfs/dbraw/zinc/07/94/45/382079445.db2.gz LLECQOXWURFSDJ-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000357266013 382083928 /nfs/dbraw/zinc/08/39/28/382083928.db2.gz TYURLKWVRBYACA-JTQLQIEISA-N 1 0 299.346 2.885 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000293339402 382084988 /nfs/dbraw/zinc/08/49/88/382084988.db2.gz SEKBXMPRVIFUAW-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000293347082 382087884 /nfs/dbraw/zinc/08/78/84/382087884.db2.gz STUCMRBKCSOHQK-UHFFFAOYSA-N 1 0 258.343 2.561 20 5 CFBDRO CC[C@H](NC[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361106 382093493 /nfs/dbraw/zinc/09/34/93/382093493.db2.gz HKECBIQTIXBIFR-WFASDCNBSA-N 1 0 279.384 2.833 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000301186421 382101433 /nfs/dbraw/zinc/10/14/33/382101433.db2.gz KFUHYEAAYUHZFG-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccnc(NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000301291568 382138618 /nfs/dbraw/zinc/13/86/18/382138618.db2.gz NTOYIMBTDRVISH-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000301310507 382146065 /nfs/dbraw/zinc/14/60/65/382146065.db2.gz ZSBKVEFJPOPBMF-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000301351135 382156671 /nfs/dbraw/zinc/15/66/71/382156671.db2.gz IZZARUOUUJOKJH-AWEZNQCLSA-N 1 0 281.331 2.510 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293525834 382159017 /nfs/dbraw/zinc/15/90/17/382159017.db2.gz WNAKWAXLPYHCRT-PWSUYJOCSA-N 1 0 291.351 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000187366672 382164674 /nfs/dbraw/zinc/16/46/74/382164674.db2.gz AKVVSZADBMINIP-MRVWCRGKSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)SCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376759802 382172128 /nfs/dbraw/zinc/17/21/28/382172128.db2.gz XGLIIGLJOSVETN-GFCCVEGCSA-N 1 0 298.412 2.570 20 5 CFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344224254 382209973 /nfs/dbraw/zinc/20/99/73/382209973.db2.gz UAWLVWONLXGCKP-LLVKDONJSA-N 1 0 294.351 2.805 20 5 CFBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000302231866 382223227 /nfs/dbraw/zinc/22/32/27/382223227.db2.gz YEOPTMWPLCMBBZ-NXEZZACHSA-N 1 0 283.759 2.777 20 5 CFBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000302231864 382223236 /nfs/dbraw/zinc/22/32/36/382223236.db2.gz YEOPTMWPLCMBBZ-AOOOYVTPSA-N 1 0 283.759 2.777 20 5 CFBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@H](C)O ZINC000352201611 382225180 /nfs/dbraw/zinc/22/51/80/382225180.db2.gz GMGTYGWAKUEUPW-LBPRGKRZSA-N 1 0 296.367 2.585 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000352203056 382225573 /nfs/dbraw/zinc/22/55/73/382225573.db2.gz OQBGCTMCNUDNKA-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000293674953 382228228 /nfs/dbraw/zinc/22/82/28/382228228.db2.gz MRICHZGPQYLRKB-LBPRGKRZSA-N 1 0 282.340 2.508 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352229712 382238262 /nfs/dbraw/zinc/23/82/62/382238262.db2.gz GFSGZZRAAABOOS-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792154 382281950 /nfs/dbraw/zinc/28/19/50/382281950.db2.gz QPXIVJMAORAZMD-ZUZCIYMTSA-N 1 0 295.383 2.625 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CCOC1 ZINC000344269764 382241419 /nfs/dbraw/zinc/24/14/19/382241419.db2.gz MPHKVQBCAWREHS-LQPUYASZSA-N 1 0 276.336 2.624 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000302488779 382256742 /nfs/dbraw/zinc/25/67/42/382256742.db2.gz JESISHTYJWPYBN-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000357776117 382315098 /nfs/dbraw/zinc/31/50/98/382315098.db2.gz SQPZXVCSVAPLCV-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO COc1cccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294300 382345385 /nfs/dbraw/zinc/34/53/85/382345385.db2.gz YYDMJTMIFXEQJI-WDEREUQCSA-N 1 0 279.340 2.533 20 5 CFBDRO CCOc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420291563 382343424 /nfs/dbraw/zinc/34/34/24/382343424.db2.gz VTHNDTBKTWTECF-NWDGAFQWSA-N 1 0 293.367 2.923 20 5 CFBDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293981743 382364374 /nfs/dbraw/zinc/36/43/74/382364374.db2.gz BKLQGQHHXRHKNO-QMMMGPOBSA-N 1 0 285.294 2.873 20 5 CFBDRO NC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420357950 382382109 /nfs/dbraw/zinc/38/21/09/382382109.db2.gz DYRSTAIBCKAXPE-INIZCTEOSA-N 1 0 291.395 2.635 20 5 CFBDRO COc1cc(CN2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352540545 382386164 /nfs/dbraw/zinc/38/61/64/382386164.db2.gz MMZYVAUGQSVKTD-SNVBAGLBSA-N 1 0 282.365 2.541 20 5 CFBDRO COc1cccc(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420626261 382433605 /nfs/dbraw/zinc/43/36/05/382433605.db2.gz LJTHXZUGAFRVCT-UHFFFAOYSA-N 1 0 293.367 2.888 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304437919 382409514 /nfs/dbraw/zinc/40/95/14/382409514.db2.gz FHMVDDLNZXCWLQ-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000304446815 382411291 /nfs/dbraw/zinc/41/12/91/382411291.db2.gz KXAAHLHPWHBWSU-GLQYFDAESA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2CCC1CC2 ZINC000378383644 382450776 /nfs/dbraw/zinc/45/07/76/382450776.db2.gz KYHMXUWYTXQFLZ-UHFFFAOYSA-N 1 0 276.336 2.848 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000188863491 382494385 /nfs/dbraw/zinc/49/43/85/382494385.db2.gz PYHJEASJDQZXRW-NSHDSACASA-N 1 0 272.370 2.807 20 5 CFBDRO C[NH+](C)CC(C)(C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000308636202 382481931 /nfs/dbraw/zinc/48/19/31/382481931.db2.gz LFSYIGKHNYNKKY-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358174077 382486598 /nfs/dbraw/zinc/48/65/98/382486598.db2.gz WOXMDAOXVKTIBT-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO CCC(C)(C)OCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000308742284 382487545 /nfs/dbraw/zinc/48/75/45/382487545.db2.gz PMTRBXUEWCLBRH-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c(F)c1 ZINC000189077687 382538254 /nfs/dbraw/zinc/53/82/54/382538254.db2.gz PZOOEKNKFIGVSN-ZDUSSCGKSA-N 1 0 293.342 2.799 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000346868991 382551773 /nfs/dbraw/zinc/55/17/73/382551773.db2.gz JTAFBNSCYRRVQD-CHWSQXEVSA-N 1 0 278.352 2.980 20 5 CFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791493 382577067 /nfs/dbraw/zinc/57/70/67/382577067.db2.gz NMQVWRXHWXFCGZ-SMDDNHRTSA-N 1 0 298.770 2.841 20 5 CFBDRO CSCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358324134 382567993 /nfs/dbraw/zinc/56/79/93/382567993.db2.gz WISMTBCQGXVXRY-WCQYABFASA-N 1 0 298.408 2.668 20 5 CFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000294833220 382533993 /nfs/dbraw/zinc/53/39/93/382533993.db2.gz AIRYITFVUXXPQD-GFCCVEGCSA-N 1 0 275.352 2.515 20 5 CFBDRO Cc1c(CN(C(C)C)C2COC2)cccc1[N+](=O)[O-] ZINC000295263470 382602444 /nfs/dbraw/zinc/60/24/44/382602444.db2.gz BUUKLZHCTOIMSJ-UHFFFAOYSA-N 1 0 264.325 2.512 20 5 CFBDRO CC(C)OC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000189533333 382620836 /nfs/dbraw/zinc/62/08/36/382620836.db2.gz CJXWHGIOVNPIAO-UHFFFAOYSA-N 1 0 278.352 2.683 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353749330 382625274 /nfs/dbraw/zinc/62/52/74/382625274.db2.gz FNUGVCIVIZVUHJ-QWRGUYRKSA-N 1 0 294.351 2.842 20 5 CFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821504 382578477 /nfs/dbraw/zinc/57/84/77/382578477.db2.gz RRADFWIOCPZVOY-ZWNOBZJWSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)O ZINC000295205211 382583075 /nfs/dbraw/zinc/58/30/75/382583075.db2.gz TXDVFEJQODAEOG-VIFPVBQESA-N 1 0 286.759 2.839 20 5 CFBDRO C[C@H]1CC[C@H](CN(C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312242 382661522 /nfs/dbraw/zinc/66/15/22/382661522.db2.gz KQEBMTMTFIBJKL-WCQYABFASA-N 1 0 264.325 2.594 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1Cl ZINC000190342105 382663044 /nfs/dbraw/zinc/66/30/44/382663044.db2.gz PQOCRRDXFSUHAD-QKCSRTOESA-N 1 0 296.754 2.905 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190407924 382666399 /nfs/dbraw/zinc/66/63/99/382666399.db2.gz TUUJPGQYBFOSCV-NSHDSACASA-N 1 0 296.392 2.788 20 5 CFBDRO C[C@H]1CSCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000190438005 382668249 /nfs/dbraw/zinc/66/82/49/382668249.db2.gz ITCBKANEMZIZHR-GFCCVEGCSA-N 1 0 280.393 2.822 20 5 CFBDRO COc1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190456156 382668983 /nfs/dbraw/zinc/66/89/83/382668983.db2.gz WOHISRQULIJSES-LLVKDONJSA-N 1 0 296.392 2.788 20 5 CFBDRO C[C@@H]1CSCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190467612 382669737 /nfs/dbraw/zinc/66/97/37/382669737.db2.gz WJTVQJVBVHSHBA-NSHDSACASA-N 1 0 266.366 2.780 20 5 CFBDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000190833569 382681791 /nfs/dbraw/zinc/68/17/91/382681791.db2.gz ZBFHHCBPIUBMMP-VIFPVBQESA-N 1 0 274.267 2.527 20 5 CFBDRO CCC(C)(C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000192352922 382707493 /nfs/dbraw/zinc/70/74/93/382707493.db2.gz HIVIJXSOVOLDHO-UHFFFAOYSA-N 1 0 282.340 2.835 20 5 CFBDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858929 382712996 /nfs/dbraw/zinc/71/29/96/382712996.db2.gz SGJFLEYRAIUEKO-HFBAOOFYSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192870056 382713174 /nfs/dbraw/zinc/71/31/74/382713174.db2.gz QMCYEPZORVXPFR-HUUCEWRRSA-N 1 0 278.352 2.579 20 5 CFBDRO CCOc1cc(N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000193376810 382719362 /nfs/dbraw/zinc/71/93/62/382719362.db2.gz LJYTWTZCGFRIOX-UHFFFAOYSA-N 1 0 295.383 2.770 20 5 CFBDRO CC(C)C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+](C)C ZINC000193381556 382719412 /nfs/dbraw/zinc/71/94/12/382719412.db2.gz NOGOHXRZTRHVPZ-LBPRGKRZSA-N 1 0 280.372 2.565 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000336839514 382730978 /nfs/dbraw/zinc/73/09/78/382730978.db2.gz OTWVCOOHMUQTNX-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000219230920 382792850 /nfs/dbraw/zinc/79/28/50/382792850.db2.gz HDKIWWNCRCFJCL-YWPYICTPSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000337335929 382804648 /nfs/dbraw/zinc/80/46/48/382804648.db2.gz MHXCWXQGEAAKPN-ZDUSSCGKSA-N 1 0 277.368 2.511 20 5 CFBDRO Cc1ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000229327774 382851023 /nfs/dbraw/zinc/85/10/23/382851023.db2.gz LVDRAPCHFAWKKC-UHFFFAOYSA-N 1 0 251.330 2.703 20 5 CFBDRO CCC(CC)(CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576360168 382820436 /nfs/dbraw/zinc/82/04/36/382820436.db2.gz QLTBYFLEQXYASH-CQSZACIVSA-N 1 0 292.379 2.970 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000226098357 382824835 /nfs/dbraw/zinc/82/48/35/382824835.db2.gz IMWAIFTXDRZKNB-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000227338687 382836339 /nfs/dbraw/zinc/83/63/39/382836339.db2.gz QWMRJWGHVUTCEY-CQSZACIVSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000227649738 382838999 /nfs/dbraw/zinc/83/89/99/382838999.db2.gz NUSPKCUNRYJKEK-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO CCOc1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000228210180 382845576 /nfs/dbraw/zinc/84/55/76/382845576.db2.gz GQMKYXMDIMDGQY-RYUDHWBXSA-N 1 0 293.367 2.888 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000230147726 382856402 /nfs/dbraw/zinc/85/64/02/382856402.db2.gz UFLDGQQJUACQOE-GXSJLCMTSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000230704959 382862676 /nfs/dbraw/zinc/86/26/76/382862676.db2.gz GBIJMNPVJKEGCU-SECBINFHSA-N 1 0 272.757 2.843 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn2ccccc2n1 ZINC000337768461 382863137 /nfs/dbraw/zinc/86/31/37/382863137.db2.gz CNHGJYXCCLYUKH-UHFFFAOYSA-N 1 0 296.330 2.575 20 5 CFBDRO [NH3+]CCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000231784132 382866993 /nfs/dbraw/zinc/86/69/93/382866993.db2.gz LIAZLTOMEKCSCU-UHFFFAOYSA-N 1 0 285.347 2.556 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000235504789 382882214 /nfs/dbraw/zinc/88/22/14/382882214.db2.gz VERRGOYGHRQSFV-JTQLQIEISA-N 1 0 282.315 2.639 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578026570 382884795 /nfs/dbraw/zinc/88/47/95/382884795.db2.gz YFGUXBIWEJDZBS-HZUKXOBISA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1cccc(NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235935130 382890410 /nfs/dbraw/zinc/89/04/10/382890410.db2.gz YZURKNFPVPBXBS-LBPRGKRZSA-N 1 0 263.341 2.705 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC(F)F ZINC000578201527 382900435 /nfs/dbraw/zinc/90/04/35/382900435.db2.gz SAZSGPSDPDYODV-UWVGGRQHSA-N 1 0 288.294 2.570 20 5 CFBDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000421858329 382950299 /nfs/dbraw/zinc/95/02/99/382950299.db2.gz POANQEGCWWKKNV-GFCCVEGCSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000245454549 383001967 /nfs/dbraw/zinc/00/19/67/383001967.db2.gz HIOUSEJXAVOABE-GVXVVHGQSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1cccc(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000579348507 383005764 /nfs/dbraw/zinc/00/57/64/383005764.db2.gz OIHNIHHEKQQXIW-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CC[C@]1(O)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192410 382968626 /nfs/dbraw/zinc/96/86/26/382968626.db2.gz LCFNASPQJQZEJF-DOMZBBRYSA-N 1 0 278.352 2.811 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245931826 383049892 /nfs/dbraw/zinc/04/98/92/383049892.db2.gz ZMCVCYUBEFTMMX-KBPBESRZSA-N 1 0 291.395 2.929 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000448355214 383056555 /nfs/dbraw/zinc/05/65/55/383056555.db2.gz MXJJYAFLONVDLS-HNNXBMFYSA-N 1 0 292.379 2.921 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423364660 383065213 /nfs/dbraw/zinc/06/52/13/383065213.db2.gz CQXLRUSHOQFNNP-DYEKYZERSA-N 1 0 277.368 2.552 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552575580 383089142 /nfs/dbraw/zinc/08/91/42/383089142.db2.gz CJKSGHISJUEHLO-BPLDGKMQSA-N 1 0 292.379 2.809 20 5 CFBDRO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246812995 383107607 /nfs/dbraw/zinc/10/76/07/383107607.db2.gz ARXMLUBFGDQHPT-HEHGZKQESA-N 1 0 291.395 2.974 20 5 CFBDRO CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423478678 383113050 /nfs/dbraw/zinc/11/30/50/383113050.db2.gz NOHMHBZERRLZLS-QWHCGFSZSA-N 1 0 299.321 2.633 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000449269061 383192346 /nfs/dbraw/zinc/19/23/46/383192346.db2.gz LMNCKRLCWPTZPO-XKVFNRALSA-N 1 0 290.363 2.683 20 5 CFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC23CC3)c1 ZINC000424183571 383201060 /nfs/dbraw/zinc/20/10/60/383201060.db2.gz JRFCKYBPXXGLJJ-NSHDSACASA-N 1 0 284.262 2.838 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCSC1 ZINC000449290137 383202346 /nfs/dbraw/zinc/20/23/46/383202346.db2.gz DQVDUHTYAUGCJK-NWDGAFQWSA-N 1 0 280.393 2.869 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000247966812 383202854 /nfs/dbraw/zinc/20/28/54/383202854.db2.gz GXMUOCHMOKOEFY-CHWSQXEVSA-N 1 0 295.408 2.572 20 5 CFBDRO CC1(F)CC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449377786 383247213 /nfs/dbraw/zinc/24/72/13/383247213.db2.gz UNPFZYWCTGNKER-UHFFFAOYSA-N 1 0 256.252 2.714 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CCCO ZINC000449407582 383272248 /nfs/dbraw/zinc/27/22/48/383272248.db2.gz ILHFZOKFOYWLGT-FYQHACEVSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248186215 383218468 /nfs/dbraw/zinc/21/84/68/383218468.db2.gz XJZHIDHIBZAIHG-USWWRNFRSA-N 1 0 266.341 2.571 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449332809 383222367 /nfs/dbraw/zinc/22/23/67/383222367.db2.gz DXIDNOZFUZHZAD-DGCLKSJQSA-N 1 0 266.341 2.540 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339509045 383224468 /nfs/dbraw/zinc/22/44/68/383224468.db2.gz MBIMYTSARVVLKW-UHFFFAOYSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1nccnc1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339531566 383234160 /nfs/dbraw/zinc/23/41/60/383234160.db2.gz YPEDFVKBFIWCAO-XQRVVYSFSA-N 1 0 298.346 2.539 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)CCO ZINC000449356072 383235568 /nfs/dbraw/zinc/23/55/68/383235568.db2.gz FTCWEBIBRLKUGY-LFGHMXSPSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000567477667 383280234 /nfs/dbraw/zinc/28/02/34/383280234.db2.gz HQCGGHXUIJEYOL-LBPRGKRZSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1[N+](=O)[O-] ZINC000339553650 383239725 /nfs/dbraw/zinc/23/97/25/383239725.db2.gz HXQJIXDNNRPNDQ-UHFFFAOYSA-N 1 0 283.331 2.821 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1 ZINC000339553725 383239799 /nfs/dbraw/zinc/23/97/99/383239799.db2.gz IOAIDAJUIUAESX-UHFFFAOYSA-N 1 0 269.304 2.513 20 5 CFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339560142 383242429 /nfs/dbraw/zinc/24/24/29/383242429.db2.gz GXXZPUZZLKFYQN-CPZUFKQWSA-N 1 0 290.363 2.749 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449491951 383330914 /nfs/dbraw/zinc/33/09/14/383330914.db2.gz ICPPZQMVMTTZMZ-WFASDCNBSA-N 1 0 278.352 2.842 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cncnc3)C2)cc1 ZINC000449496281 383334047 /nfs/dbraw/zinc/33/40/47/383334047.db2.gz GMYKVYYDYVFFMF-OAHLLOKOSA-N 1 0 298.346 2.764 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000567994899 383341979 /nfs/dbraw/zinc/34/19/79/383341979.db2.gz XUYXITOYSQJFEZ-GDBMZVCRSA-N 1 0 292.379 2.620 20 5 CFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449509755 383345333 /nfs/dbraw/zinc/34/53/33/383345333.db2.gz PBZMEQDAWXKKOV-HOTGVXAUSA-N 1 0 294.395 2.974 20 5 CFBDRO CC(C)O[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000567790054 383315953 /nfs/dbraw/zinc/31/59/53/383315953.db2.gz MKJOTMCFYUQPMA-CQSZACIVSA-N 1 0 264.325 2.594 20 5 CFBDRO Cc1cnc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])nc1 ZINC000340107328 383356644 /nfs/dbraw/zinc/35/66/44/383356644.db2.gz WIOXVEPAFOTGDT-XQRVVYSFSA-N 1 0 298.346 2.539 20 5 CFBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630796 383358660 /nfs/dbraw/zinc/35/86/60/383358660.db2.gz JEIYXTKIYBFMQV-HUUCEWRRSA-N 1 0 290.363 2.984 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C(C)C ZINC000468629431 383362087 /nfs/dbraw/zinc/36/20/87/383362087.db2.gz MMQMGJCHJXQJAI-OIQJVACTSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000250079982 383370311 /nfs/dbraw/zinc/37/03/11/383370311.db2.gz OZASYKWFRVDGCI-QOWREQOWSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340474579 383433004 /nfs/dbraw/zinc/43/30/04/383433004.db2.gz SLMCINPJMUCNHJ-SWLSCSKDSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450948199 383562797 /nfs/dbraw/zinc/56/27/97/383562797.db2.gz FDOWFZMAOINGLM-AWEZNQCLSA-N 1 0 277.368 2.822 20 5 CFBDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453220594 383804902 /nfs/dbraw/zinc/80/49/02/383804902.db2.gz IVYSGXJMMXRNDK-RYUDHWBXSA-N 1 0 286.335 2.667 20 5 CFBDRO CC1(C)C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000453577963 383856691 /nfs/dbraw/zinc/85/66/91/383856691.db2.gz ICDJZTRKXDEUNU-CYBMUJFWSA-N 1 0 278.352 2.890 20 5 CFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000573104792 383871875 /nfs/dbraw/zinc/87/18/75/383871875.db2.gz DWWOYPGUCOIJFZ-CQSZACIVSA-N 1 0 294.351 2.760 20 5 CFBDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281003660 195065660 /nfs/dbraw/zinc/06/56/60/195065660.db2.gz KXFZWAAOWAXIDU-YBTHPKLGSA-N 1 0 296.392 2.547 20 5 CFBDRO CCC1([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000453277582 383830797 /nfs/dbraw/zinc/83/07/97/383830797.db2.gz DOIGINRBEPLHBB-NSHDSACASA-N 1 0 291.351 2.844 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531728557 383913942 /nfs/dbraw/zinc/91/39/42/383913942.db2.gz MTJXPGQQPRDCOQ-JSGCOSHPSA-N 1 0 291.395 2.896 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531728559 383914212 /nfs/dbraw/zinc/91/42/12/383914212.db2.gz MTJXPGQQPRDCOQ-TZMCWYRMSA-N 1 0 291.395 2.896 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)CCO ZINC000532240717 383999993 /nfs/dbraw/zinc/99/99/93/383999993.db2.gz VVSXOBFGHZEMIX-GFCCVEGCSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000531962931 383948266 /nfs/dbraw/zinc/94/82/66/383948266.db2.gz JJFFEGVGUAQAIC-STQMWFEESA-N 1 0 279.384 2.894 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532475945 384033414 /nfs/dbraw/zinc/03/34/14/384033414.db2.gz SWQUUOFVUMASOC-ZYHUDNBSSA-N 1 0 266.341 2.836 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574624102 384124026 /nfs/dbraw/zinc/12/40/26/384124026.db2.gz AWOIXVVWKLFVHV-CZUORRHYSA-N 1 0 289.379 2.731 20 5 CFBDRO C[C@H]1C[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266261321 384130271 /nfs/dbraw/zinc/13/02/71/384130271.db2.gz PCPFWWUZZPQGQW-JQWIXIFHSA-N 1 0 281.331 2.653 20 5 CFBDRO COc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420272248 533035984 /nfs/dbraw/zinc/03/59/84/533035984.db2.gz DHZUJLVFBZBGFK-QWRGUYRKSA-N 1 0 279.340 2.533 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000277124658 384207411 /nfs/dbraw/zinc/20/74/11/384207411.db2.gz IAMHTTCJPZIWKO-ZDUSSCGKSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@H](O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266539860 384195069 /nfs/dbraw/zinc/19/50/69/384195069.db2.gz PMXFMXNXAGPLID-VXGBXAGGSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCO1 ZINC000266765501 384234267 /nfs/dbraw/zinc/23/42/67/384234267.db2.gz UXDHMWZZIBUQRJ-NWDGAFQWSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C(C)C ZINC000266633830 384212185 /nfs/dbraw/zinc/21/21/85/384212185.db2.gz JWORVYXDNDVEKQ-GFCCVEGCSA-N 1 0 293.367 2.818 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000277158387 384217711 /nfs/dbraw/zinc/21/77/11/384217711.db2.gz LKDPVOFWABDVDO-GFCCVEGCSA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000266825289 384243404 /nfs/dbraw/zinc/24/34/04/384243404.db2.gz CSTDNZFRERDSSL-ZTFRIQLXSA-N 1 0 298.342 2.904 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000277268437 384249158 /nfs/dbraw/zinc/24/91/58/384249158.db2.gz RLMHANIJXFATQT-GFCCVEGCSA-N 1 0 283.397 2.572 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266990312 384275067 /nfs/dbraw/zinc/27/50/67/384275067.db2.gz AMNTYIDEYCNWBJ-AAEUAGOBSA-N 1 0 295.358 2.648 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccn(C)c1 ZINC000267134367 384305770 /nfs/dbraw/zinc/30/57/70/384305770.db2.gz WJBFDKIQHPZSBL-UHFFFAOYSA-N 1 0 289.335 2.622 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)cs1 ZINC000277475105 384313345 /nfs/dbraw/zinc/31/33/45/384313345.db2.gz KVPPEIWWCRVCAD-CYBMUJFWSA-N 1 0 295.408 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000277420492 384297169 /nfs/dbraw/zinc/29/71/69/384297169.db2.gz ARTNWHCEKDBJLG-INIZCTEOSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCOC1 ZINC000267464649 384397891 /nfs/dbraw/zinc/39/78/91/384397891.db2.gz WCIMWSRMVCDUHV-NWDGAFQWSA-N 1 0 264.325 2.624 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000277823374 384415862 /nfs/dbraw/zinc/41/58/62/384415862.db2.gz RBHUWYHYFBCDFP-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000449528762 285113759 /nfs/dbraw/zinc/11/37/59/285113759.db2.gz RTAYDZVLICIFAT-AWEZNQCLSA-N 1 0 278.377 2.922 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC23CCOCC3)cc1 ZINC000371333796 285112058 /nfs/dbraw/zinc/11/20/58/285112058.db2.gz CBVKBAZAKHPSAE-UHFFFAOYSA-N 1 0 276.336 2.740 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000289401053 197330020 /nfs/dbraw/zinc/33/00/20/197330020.db2.gz KZFRDKQYYAPLDW-HOCLYGCPSA-N 1 0 290.363 2.750 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279199488 384607984 /nfs/dbraw/zinc/60/79/84/384607984.db2.gz XDZRVWGPZLJLNQ-IINYFYTJSA-N 1 0 278.352 2.942 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278663265 384593304 /nfs/dbraw/zinc/59/33/04/384593304.db2.gz IVSMNVNARDFGSV-OAHLLOKOSA-N 1 0 286.335 2.794 20 5 CFBDRO O=[N+]([O-])c1cc(CN[C@H]2CCCc3c[nH]nc32)cs1 ZINC000268856883 384677653 /nfs/dbraw/zinc/67/76/53/384677653.db2.gz RBLGXMJXEZQACJ-JTQLQIEISA-N 1 0 278.337 2.547 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNCc1ccc([N+](=O)[O-])cc1C ZINC000279591701 384689102 /nfs/dbraw/zinc/68/91/02/384689102.db2.gz CPHHRZABEHBQCI-CYBMUJFWSA-N 1 0 279.384 2.723 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)CC1CCC1 ZINC000279626848 384699390 /nfs/dbraw/zinc/69/93/90/384699390.db2.gz BLPSFJUWZOVBCG-SGJXGLNRSA-N 1 0 290.363 2.749 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662457 384825912 /nfs/dbraw/zinc/82/59/12/384825912.db2.gz KPEPEULEBSFPLS-BXUZGUMPSA-N 1 0 266.341 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+]([C@@H]3CCOC3)C2)cc1 ZINC000331534849 285138756 /nfs/dbraw/zinc/13/87/56/285138756.db2.gz XPVRBIMKIIDJMW-UKRRQHHQSA-N 1 0 276.336 2.563 20 5 CFBDRO CCC[N@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269625707 384808509 /nfs/dbraw/zinc/80/85/09/384808509.db2.gz CNRWPWIZECQTLU-HNNXBMFYSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269624265 384809096 /nfs/dbraw/zinc/80/90/96/384809096.db2.gz CAFLZPXBKGVITQ-TYNCELHUSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1occc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687356 384836918 /nfs/dbraw/zinc/83/69/18/384836918.db2.gz TVEMJXUUBMELSD-OAHLLOKOSA-N 1 0 290.319 2.662 20 5 CFBDRO C[N@@H+](Cc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269714928 384847548 /nfs/dbraw/zinc/84/75/48/384847548.db2.gz RRBFKQWWUQDTIM-CQSZACIVSA-N 1 0 292.360 2.822 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCOCC1)CCC2 ZINC000192702086 285143877 /nfs/dbraw/zinc/14/38/77/285143877.db2.gz ARRRRPUPHYVSAS-HNNXBMFYSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCOC1)CCC2 ZINC000278163428 285145205 /nfs/dbraw/zinc/14/52/05/285145205.db2.gz BTKSXUVRNYKOSO-XHDPSFHLSA-N 1 0 276.336 2.598 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270071928 384965904 /nfs/dbraw/zinc/96/59/04/384965904.db2.gz IEIAERBDCYOLJP-KYOSRNDESA-N 1 0 278.352 2.749 20 5 CFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[C@H]1O ZINC000270187942 385007571 /nfs/dbraw/zinc/00/75/71/385007571.db2.gz WBDHTSOZIKHVEV-QMTHXVAHSA-N 1 0 298.770 2.841 20 5 CFBDRO CCC(=O)c1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000280724100 385128149 /nfs/dbraw/zinc/12/81/49/385128149.db2.gz MPNBPBLEBIDWGT-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282529593 385334825 /nfs/dbraw/zinc/33/48/25/385334825.db2.gz QJVWHAJHHKJTFG-JTQLQIEISA-N 1 0 284.356 2.919 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000271183072 385365766 /nfs/dbraw/zinc/36/57/66/385365766.db2.gz IDDPMUJBWOMNOH-OAHLLOKOSA-N 1 0 278.352 2.722 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CO ZINC000271185895 385367690 /nfs/dbraw/zinc/36/76/90/385367690.db2.gz WPKGTHOVWWXUDZ-VXGBXAGGSA-N 1 0 298.408 2.684 20 5 CFBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000283268269 385451469 /nfs/dbraw/zinc/45/14/69/385451469.db2.gz WMCITOCQFIPKOO-JQWIXIFHSA-N 1 0 282.315 2.733 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CCC2)n1 ZINC000447542768 285169774 /nfs/dbraw/zinc/16/97/74/285169774.db2.gz QBGDRVIXTSMNNL-OLZOCXBDSA-N 1 0 278.356 2.665 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[NH+](C2CCCC2)CC1 ZINC000301917795 285170388 /nfs/dbraw/zinc/17/03/88/285170388.db2.gz AWMCWCXWSHZQGI-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO CC(C)COCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283897688 385511763 /nfs/dbraw/zinc/51/17/63/385511763.db2.gz CVMWVOVGVPLQKR-GFCCVEGCSA-N 1 0 295.383 2.890 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000285821787 385557632 /nfs/dbraw/zinc/55/76/32/385557632.db2.gz VOJSTYFZSSFFPU-WDEREUQCSA-N 1 0 252.314 2.623 20 5 CFBDRO CC(C)[NH+](CCNc1ccc(N)cc1[N+](=O)[O-])C(C)C ZINC000286967632 385751958 /nfs/dbraw/zinc/75/19/58/385751958.db2.gz NILMRZJUGUBBFN-UHFFFAOYSA-N 1 0 280.372 2.708 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000274285481 385756562 /nfs/dbraw/zinc/75/65/62/385756562.db2.gz ZGRSLXBMWLNGLL-CYBMUJFWSA-N 1 0 284.331 2.621 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000276613441 385992298 /nfs/dbraw/zinc/99/22/98/385992298.db2.gz GYGCSLLBFKSQCS-OAHLLOKOSA-N 1 0 288.351 2.612 20 5 CFBDRO CC(C)OC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000275096945 385930882 /nfs/dbraw/zinc/93/08/82/385930882.db2.gz AZDHDLKQBGSIBD-UHFFFAOYSA-N 1 0 278.352 2.683 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000288536961 197106668 /nfs/dbraw/zinc/10/66/68/197106668.db2.gz SEWQBBLZADJRAU-UHFFFAOYSA-N 1 0 292.383 2.853 20 5 CFBDRO CCOc1cc(C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000276824152 386054673 /nfs/dbraw/zinc/05/46/73/386054673.db2.gz ACDJVIRLXKLUMK-UHFFFAOYSA-N 1 0 250.298 2.589 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000276860895 386062269 /nfs/dbraw/zinc/06/22/69/386062269.db2.gz GHMUXDAQQVRTBN-JTQLQIEISA-N 1 0 290.323 2.567 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCSC1 ZINC000167444413 533222896 /nfs/dbraw/zinc/22/28/96/533222896.db2.gz YGMGJZQXZNETJL-NSHDSACASA-N 1 0 282.365 2.589 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000281703034 195344879 /nfs/dbraw/zinc/34/48/79/195344879.db2.gz NWFFOZBDBYDLOA-RISCZKNCSA-N 1 0 294.351 2.603 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000361260481 285371579 /nfs/dbraw/zinc/37/15/79/285371579.db2.gz DVLZJVGUINEHNP-CHWSQXEVSA-N 1 0 292.383 2.607 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000361260488 285398712 /nfs/dbraw/zinc/39/87/12/285398712.db2.gz DVLZJVGUINEHNP-STQMWFEESA-N 1 0 292.383 2.607 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2(C)COC2)cccc1[N+](=O)[O-] ZINC000164405653 130020922 /nfs/dbraw/zinc/02/09/22/130020922.db2.gz YPWBISFUCJHFHL-NSHDSACASA-N 1 0 264.325 2.590 20 5 CFBDRO COc1ccc(C[NH2+]CC=C(C)C)cc1[N+](=O)[O-] ZINC000191632530 130267140 /nfs/dbraw/zinc/26/71/40/130267140.db2.gz PNKFPAVRPITMNX-UHFFFAOYSA-N 1 0 250.298 2.659 20 5 CFBDRO Cc1ccc(CN2CC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000355356508 130287846 /nfs/dbraw/zinc/28/78/46/130287846.db2.gz ROAYEFQLDKVWQE-CYBMUJFWSA-N 1 0 252.289 2.837 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000355363715 130289864 /nfs/dbraw/zinc/28/98/64/130289864.db2.gz IJTSXTOKQYCMBJ-LERXQTSPSA-N 1 0 278.352 2.744 20 5 CFBDRO C[C@H]1CCSCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191815041 130309901 /nfs/dbraw/zinc/30/99/01/130309901.db2.gz HVEUOQGEGSTSTA-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192183114 130390139 /nfs/dbraw/zinc/39/01/39/130390139.db2.gz NDLSIZFOIHOKSP-GFCCVEGCSA-N 1 0 280.393 2.965 20 5 CFBDRO CC1CC[NH+](CCCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192767559 130544201 /nfs/dbraw/zinc/54/42/01/130544201.db2.gz FRMWNGMLOKASFM-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO Cc1c(C[NH2+]Cc2cccc3nccn32)cccc1[N+](=O)[O-] ZINC000359808926 130547208 /nfs/dbraw/zinc/54/72/08/130547208.db2.gz VOBJWIAUGMWEPK-UHFFFAOYSA-N 1 0 296.330 2.841 20 5 CFBDRO Cc1cc(N2CCC(C[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359872269 130556336 /nfs/dbraw/zinc/55/63/36/130556336.db2.gz HCHKDULQKBWEGV-UHFFFAOYSA-N 1 0 295.358 2.820 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000219899252 130777481 /nfs/dbraw/zinc/77/74/81/130777481.db2.gz NRVPOHTTYOPBMT-WCQYABFASA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000237791451 131057915 /nfs/dbraw/zinc/05/79/15/131057915.db2.gz MZHXGAZMYOFHIZ-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000248368480 131114480 /nfs/dbraw/zinc/11/44/80/131114480.db2.gz VFVHAUWHWBMWCL-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000252200444 131133245 /nfs/dbraw/zinc/13/32/45/131133245.db2.gz TXWTUPZHLIBSJH-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000263808066 131335821 /nfs/dbraw/zinc/33/58/21/131335821.db2.gz SKKLUIPSINGFQN-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO C[C@@H]([NH2+]CCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268753913 132061347 /nfs/dbraw/zinc/06/13/47/132061347.db2.gz WMSXTPCKEGTRSP-SNVBAGLBSA-N 1 0 292.360 2.966 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000268815499 132070559 /nfs/dbraw/zinc/07/05/59/132070559.db2.gz MEPRLVHPXUJTNS-WCQYABFASA-N 1 0 288.351 2.839 20 5 CFBDRO Cc1nccn1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268844288 132075951 /nfs/dbraw/zinc/07/59/51/132075951.db2.gz WPWYCMJXEQHPPU-GFCCVEGCSA-N 1 0 288.351 2.759 20 5 CFBDRO CCCC[C@H](COC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268908760 132086471 /nfs/dbraw/zinc/08/64/71/132086471.db2.gz FMSBCHRCHLPCOK-CQSZACIVSA-N 1 0 280.368 2.932 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268929224 132089647 /nfs/dbraw/zinc/08/96/47/132089647.db2.gz ZAUSBTCFGHZXRB-ITDIGPHOSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CCO)cccc1[N+](=O)[O-] ZINC000269006691 132099293 /nfs/dbraw/zinc/09/92/93/132099293.db2.gz WGCOJJPZJXIHCY-GFCCVEGCSA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000179867649 393470889 /nfs/dbraw/zinc/47/08/89/393470889.db2.gz UNJOTSZVXOMLJF-SNVBAGLBSA-N 1 0 282.315 2.639 20 5 CFBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000302849329 393495681 /nfs/dbraw/zinc/49/56/81/393495681.db2.gz HYTCPQZNTPGGKA-PHIMTYICSA-N 1 0 295.770 2.554 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1C ZINC000183348083 393520130 /nfs/dbraw/zinc/52/01/30/393520130.db2.gz KAEUWIDCWXYIMU-NSHDSACASA-N 1 0 266.366 2.841 20 5 CFBDRO CC(C)OCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562653 393532484 /nfs/dbraw/zinc/53/24/84/393532484.db2.gz PSAHXJKKOHXZJA-UHFFFAOYSA-N 1 0 258.343 2.561 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331200910 393555003 /nfs/dbraw/zinc/55/50/03/393555003.db2.gz VIBPWTIPVDDWLS-GXTWGEPZSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000189941093 393576420 /nfs/dbraw/zinc/57/64/20/393576420.db2.gz KUYZUAMMEGBNCH-UHFFFAOYSA-N 1 0 278.352 2.639 20 5 CFBDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191822030 393608723 /nfs/dbraw/zinc/60/87/23/393608723.db2.gz HNKXJUFOIRQDRC-LLVKDONJSA-N 1 0 266.366 2.922 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000081707711 393736941 /nfs/dbraw/zinc/73/69/41/393736941.db2.gz ZCTHLNOGFLNSJU-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000085974905 393753236 /nfs/dbraw/zinc/75/32/36/393753236.db2.gz BPGWBCYAJZMVMH-KYOSRNDESA-N 1 0 278.352 2.797 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411225054 393688581 /nfs/dbraw/zinc/68/85/81/393688581.db2.gz LYEXHYSLRCVJFV-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO Cc1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000218860190 393758516 /nfs/dbraw/zinc/75/85/16/393758516.db2.gz AHQKVFVJXOFFIB-RYUDHWBXSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411280026 393693590 /nfs/dbraw/zinc/69/35/90/393693590.db2.gz DDMLESRLVMNDCY-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000219246556 393760164 /nfs/dbraw/zinc/76/01/64/393760164.db2.gz AJRXJVDRUHBICT-UWVGGRQHSA-N 1 0 252.339 2.751 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000337416209 393765675 /nfs/dbraw/zinc/76/56/75/393765675.db2.gz NRXSATNMSUMBCO-ZWNOBZJWSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000089580912 393768225 /nfs/dbraw/zinc/76/82/25/393768225.db2.gz QUFGAPWVVHYZFX-LLVKDONJSA-N 1 0 264.325 2.752 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000347075993 393936532 /nfs/dbraw/zinc/93/65/32/393936532.db2.gz UVPKCFKPIKKLGC-WFASDCNBSA-N 1 0 277.368 2.605 20 5 CFBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749167 393940872 /nfs/dbraw/zinc/94/08/72/393940872.db2.gz FUKLOWOLNCKFPX-OLZOCXBDSA-N 1 0 280.372 2.692 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000471820788 393920013 /nfs/dbraw/zinc/92/00/13/393920013.db2.gz IDPYHOIMBGIPGE-GNXSNYGWSA-N 1 0 276.336 2.765 20 5 CFBDRO COc1ccc(C[NH+]2CCC(C)(OC)CC2)cc1[N+](=O)[O-] ZINC000271714873 394022505 /nfs/dbraw/zinc/02/25/05/394022505.db2.gz JTXXMALFNPSAOY-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000430201552 393967063 /nfs/dbraw/zinc/96/70/63/393967063.db2.gz KONUXVPOXYUPGW-ZIAGYGMSSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430202433 393967121 /nfs/dbraw/zinc/96/71/21/393967121.db2.gz CRTKQMUKCZVYSS-SNVBAGLBSA-N 1 0 252.314 2.834 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCCC1 ZINC000430197038 393967135 /nfs/dbraw/zinc/96/71/35/393967135.db2.gz TWVJEAIFHCFJID-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)CC1 ZINC000430205954 393967806 /nfs/dbraw/zinc/96/78/06/393967806.db2.gz VBMVMLSVIAEYNM-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000271823033 394023915 /nfs/dbraw/zinc/02/39/15/394023915.db2.gz NGECFADUCZEXGM-ZDUSSCGKSA-N 1 0 292.379 2.873 20 5 CFBDRO COc1ccc(C[NH2+]C/C=C\c2ccncc2)cc1[N+](=O)[O-] ZINC000486970791 393976666 /nfs/dbraw/zinc/97/66/66/393976666.db2.gz SGHQTJHBNOJMMG-IHWYPQMZSA-N 1 0 299.330 2.801 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430283762 393979766 /nfs/dbraw/zinc/97/97/66/393979766.db2.gz KNLAZPGHRJBHSX-LBPRGKRZSA-N 1 0 276.336 2.872 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189366 393991113 /nfs/dbraw/zinc/99/11/13/393991113.db2.gz VHROSFUQOUVXLY-QPUJVOFHSA-N 1 0 296.758 2.538 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268796120 393994298 /nfs/dbraw/zinc/99/42/98/393994298.db2.gz BWADZJAIIPDLGO-CZUORRHYSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268796118 393994353 /nfs/dbraw/zinc/99/43/53/393994353.db2.gz BWADZJAIIPDLGO-BBRMVZONSA-N 1 0 289.379 2.824 20 5 CFBDRO Cn1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000126416074 394027739 /nfs/dbraw/zinc/02/77/39/394027739.db2.gz YANLXOZUSNGKGG-UHFFFAOYSA-N 1 0 273.336 2.958 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000125699034 394011418 /nfs/dbraw/zinc/01/14/18/394011418.db2.gz DBXQVINPETYJLU-SNVBAGLBSA-N 1 0 275.308 2.968 20 5 CFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125754838 394012792 /nfs/dbraw/zinc/01/27/92/394012792.db2.gz RPZKWMXIJLKGBJ-GFCCVEGCSA-N 1 0 291.351 2.655 20 5 CFBDRO CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130162782 394103717 /nfs/dbraw/zinc/10/37/17/394103717.db2.gz DSMUKQFGRDODBH-OCCSQVGLSA-N 1 0 292.379 2.667 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000281836671 394081762 /nfs/dbraw/zinc/08/17/62/394081762.db2.gz AHYANPHDIWINRQ-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000420361110 394117808 /nfs/dbraw/zinc/11/78/08/394117808.db2.gz HTDBPDQKKXERES-UUIJZJDISA-N 1 0 277.368 2.632 20 5 CFBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084561 394145414 /nfs/dbraw/zinc/14/54/14/394145414.db2.gz UBLUXAPXSQQJGT-MNOVXSKESA-N 1 0 281.331 2.571 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444646018 394145456 /nfs/dbraw/zinc/14/54/56/394145456.db2.gz XZOUIKOFJYQANA-VHSXEESVSA-N 1 0 274.324 2.701 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587778 394152603 /nfs/dbraw/zinc/15/26/03/394152603.db2.gz RJPODNHBMMZCSB-QMTHXVAHSA-N 1 0 264.325 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000421043928 394168409 /nfs/dbraw/zinc/16/84/09/394168409.db2.gz RMAKMGSYNWEGJE-ZDUSSCGKSA-N 1 0 278.352 2.579 20 5 CFBDRO C[NH+](C)C1(CNc2ccc(N)cc2[N+](=O)[O-])CCCCC1 ZINC000285956841 394172197 /nfs/dbraw/zinc/17/21/97/394172197.db2.gz ADFSHNPGWRYCSM-UHFFFAOYSA-N 1 0 292.383 2.853 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000421373192 394207541 /nfs/dbraw/zinc/20/75/41/394207541.db2.gz DOPDVJNDGBLVMJ-GHMZBOCLSA-N 1 0 270.354 2.704 20 5 CFBDRO CC[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421384681 394213600 /nfs/dbraw/zinc/21/36/00/394213600.db2.gz PKOBPGJKHASQSZ-NWDGAFQWSA-N 1 0 293.367 2.948 20 5 CFBDRO Cc1cc(N2CCCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000365296287 394230728 /nfs/dbraw/zinc/23/07/28/394230728.db2.gz XHIDJEKVVOCDSU-UHFFFAOYSA-N 1 0 287.319 2.678 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000449160561 394235973 /nfs/dbraw/zinc/23/59/73/394235973.db2.gz BMWAJKBLSDDEAZ-VNHYZAJKSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000449190265 394247280 /nfs/dbraw/zinc/24/72/80/394247280.db2.gz QMJZKJRZHHURHL-QWHCGFSZSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148483397 394248478 /nfs/dbraw/zinc/24/84/78/394248478.db2.gz QCZVABXNSHSBIE-JTQLQIEISA-N 1 0 298.774 2.785 20 5 CFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292793 394281878 /nfs/dbraw/zinc/28/18/78/394281878.db2.gz ZHBLDEDSDAVPNS-ZWNOBZJWSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CCCC1 ZINC000423515945 394287941 /nfs/dbraw/zinc/28/79/41/394287941.db2.gz XRDGWIFGGYHBPJ-DOMZBBRYSA-N 1 0 291.395 2.633 20 5 CFBDRO Cc1c([C@@H](C)N[C@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423551019 394296571 /nfs/dbraw/zinc/29/65/71/394296571.db2.gz JDZMBUNOJXWRPD-OLZOCXBDSA-N 1 0 277.368 2.696 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154604938 394297710 /nfs/dbraw/zinc/29/77/10/394297710.db2.gz XQPOBWLOLAWMRU-HUUCEWRRSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000296018272 394305401 /nfs/dbraw/zinc/30/54/01/394305401.db2.gz RQXAZTQGMADGAC-DITUJHHDSA-N 1 0 289.379 2.871 20 5 CFBDRO COc1cc(C[N@@H+]2CCS[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000494014454 394339639 /nfs/dbraw/zinc/33/96/39/394339639.db2.gz DBGKUWPLDZRBFB-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO CN(CCc1nccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000157560088 394347425 /nfs/dbraw/zinc/34/74/25/394347425.db2.gz ZNNIOGMLFROQAY-UHFFFAOYSA-N 1 0 295.339 2.865 20 5 CFBDRO CC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000158656669 394359532 /nfs/dbraw/zinc/35/95/32/394359532.db2.gz OLLOVEMNJHYVJQ-UHFFFAOYSA-N 1 0 290.319 2.669 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000518718612 394371371 /nfs/dbraw/zinc/37/13/71/394371371.db2.gz ZYKCDMUJFUIMKB-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CCCO)C1 ZINC000452128383 394379010 /nfs/dbraw/zinc/37/90/10/394379010.db2.gz MBPBBYBJIIFOQR-OLZOCXBDSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178221770 394386677 /nfs/dbraw/zinc/38/66/77/394386677.db2.gz NMLPXLDDPGUTLM-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000453406959 394398416 /nfs/dbraw/zinc/39/84/16/394398416.db2.gz RPFWGNGRHAJSBM-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000453412691 394399683 /nfs/dbraw/zinc/39/96/83/394399683.db2.gz WHCDGDZXZQYIFE-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000536357383 394555166 /nfs/dbraw/zinc/55/51/66/394555166.db2.gz ZEJLZFXGLYQXEQ-RWMBFGLXSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CC2)c(F)c1 ZINC000541596865 394678965 /nfs/dbraw/zinc/67/89/65/394678965.db2.gz HAYDLTONXMVDCJ-UHFFFAOYSA-N 1 0 250.273 2.766 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](C)C[C@H]1C ZINC000547770322 394889510 /nfs/dbraw/zinc/88/95/10/394889510.db2.gz JAXJENLRVLBPMR-VXGBXAGGSA-N 1 0 291.351 2.715 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000556149541 394992295 /nfs/dbraw/zinc/99/22/95/394992295.db2.gz CKNKPCNGJOWGSN-PJXYFTJBSA-N 1 0 294.351 2.649 20 5 CFBDRO Cc1ccc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356357456 155237970 /nfs/dbraw/zinc/23/79/70/155237970.db2.gz FYEPFMIXNNHPGG-DOMZBBRYSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000356357439 155238198 /nfs/dbraw/zinc/23/81/98/155238198.db2.gz FXISKQUBXUWABK-IUODEOHRSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420305403 292295397 /nfs/dbraw/zinc/29/53/97/292295397.db2.gz KCXVMQHERFWTTG-CZUORRHYSA-N 1 0 289.379 2.650 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000356894667 155415914 /nfs/dbraw/zinc/41/59/14/155415914.db2.gz JKSWDECZUZDLCS-OCCSQVGLSA-N 1 0 278.352 2.542 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000343269145 154163512 /nfs/dbraw/zinc/16/35/12/154163512.db2.gz JMLAYFKHNPGQIF-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000348155750 154342990 /nfs/dbraw/zinc/34/29/90/154342990.db2.gz ZCKGOJKHIXSERJ-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO CCC[NH+](CCC)CCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000348184253 154352254 /nfs/dbraw/zinc/35/22/54/154352254.db2.gz UEKFGYJEZBZJQL-UHFFFAOYSA-N 1 0 294.399 2.644 20 5 CFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000354590140 154757909 /nfs/dbraw/zinc/75/79/09/154757909.db2.gz ZRDMEEFGCAUXRC-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000354866632 154840914 /nfs/dbraw/zinc/84/09/14/154840914.db2.gz SFRWFEUTYOJNMC-LBPRGKRZSA-N 1 0 278.352 2.720 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000355549921 155037781 /nfs/dbraw/zinc/03/77/81/155037781.db2.gz WKMXIMUVKBLKOS-UHFFFAOYSA-N 1 0 268.361 2.633 20 5 CFBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000355600902 155051013 /nfs/dbraw/zinc/05/10/13/155051013.db2.gz REAXGSXDZBDDHD-MNOVXSKESA-N 1 0 294.351 2.835 20 5 CFBDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000355731452 155068914 /nfs/dbraw/zinc/06/89/14/155068914.db2.gz NWNVCGYYKSEZFQ-ZDUSSCGKSA-N 1 0 280.368 2.872 20 5 CFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000362977669 156134320 /nfs/dbraw/zinc/13/43/20/156134320.db2.gz SSDLMBLIBQWKCH-YGRLFVJLSA-N 1 0 284.331 2.885 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000363874000 156200352 /nfs/dbraw/zinc/20/03/52/156200352.db2.gz GIMAZPXOJRUIIO-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1c(C[NH2+]C2(C3CC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000367015503 156266296 /nfs/dbraw/zinc/26/62/96/156266296.db2.gz KUFNGSBFRCJAGH-UHFFFAOYSA-N 1 0 290.363 2.952 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCCCCF)C2)c1 ZINC000367080784 156279713 /nfs/dbraw/zinc/27/97/13/156279713.db2.gz OATNFYKDGINJJW-GFCCVEGCSA-N 1 0 284.335 2.568 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC23CCOCC3)c1 ZINC000367320536 156313832 /nfs/dbraw/zinc/31/38/32/156313832.db2.gz WNXBVGYZNKXQGR-UHFFFAOYSA-N 1 0 276.336 2.740 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000367705100 156379885 /nfs/dbraw/zinc/37/98/85/156379885.db2.gz GNNXZUVUMQSBDT-APIJFGDWSA-N 1 0 276.336 2.528 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2CCC1CC2 ZINC000373761552 157028688 /nfs/dbraw/zinc/02/86/88/157028688.db2.gz RLHGKPSPUONARI-UHFFFAOYSA-N 1 0 276.336 2.978 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000373988185 157053136 /nfs/dbraw/zinc/05/31/36/157053136.db2.gz SQDMTLIDFDSBNP-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1F ZINC000374906483 157171697 /nfs/dbraw/zinc/17/16/97/157171697.db2.gz AMDRULNSVFXMLD-WFASDCNBSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375019559 157184716 /nfs/dbraw/zinc/18/47/16/157184716.db2.gz MBERLBODXUDGOR-XJKCOSOUSA-N 1 0 289.379 2.682 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CCC3)C2)cs1 ZINC000408217186 157387800 /nfs/dbraw/zinc/38/78/00/157387800.db2.gz YBZCXJACJMYDMJ-UHFFFAOYSA-N 1 0 282.365 2.659 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000344264650 161989540 /nfs/dbraw/zinc/98/95/40/161989540.db2.gz JOEGMODOJKNRFJ-GFCCVEGCSA-N 1 0 294.351 2.510 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344577450 162071523 /nfs/dbraw/zinc/07/15/23/162071523.db2.gz JKHJHCBQWRNESR-GXSJLCMTSA-N 1 0 272.370 2.543 20 5 CFBDRO CO[C@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344789229 162122502 /nfs/dbraw/zinc/12/25/02/162122502.db2.gz GZMMUKOHNRUEBY-SEVUFMINSA-N 1 0 264.325 2.623 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnn1C ZINC000344792484 162122712 /nfs/dbraw/zinc/12/27/12/162122712.db2.gz MYBASDQCFINHCI-WQLSENKSSA-N 1 0 286.335 2.521 20 5 CFBDRO CO[C@@H](CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000344801001 162124147 /nfs/dbraw/zinc/12/41/47/162124147.db2.gz WDFJEECKRIKKQK-NSHDSACASA-N 1 0 292.257 2.652 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N(C)C ZINC000344820795 162128222 /nfs/dbraw/zinc/12/82/22/162128222.db2.gz HQLVUZGPRYDOAC-RPHSKFLZSA-N 1 0 277.368 2.538 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)COC1 ZINC000344842547 162132609 /nfs/dbraw/zinc/13/26/09/162132609.db2.gz GPWUFNXXLNMMIQ-WUXMJOGZSA-N 1 0 276.336 2.624 20 5 CFBDRO COC[C@@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344875716 162140298 /nfs/dbraw/zinc/14/02/98/162140298.db2.gz OIOUJCSSCCNACR-WHGQRRHOSA-N 1 0 278.352 2.870 20 5 CFBDRO CCOCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344903652 162145038 /nfs/dbraw/zinc/14/50/38/162145038.db2.gz OFKFMRNPTBOXJD-XFXZXTDPSA-N 1 0 264.325 2.624 20 5 CFBDRO CCC[C@H]([NH2+][C@@H]1C=C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345047759 162169470 /nfs/dbraw/zinc/16/94/70/162169470.db2.gz AZJUDPOLOWXIPC-XPKDYRNWSA-N 1 0 290.363 2.963 20 5 CFBDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348386417 162840907 /nfs/dbraw/zinc/84/09/07/162840907.db2.gz MLJLQOHBQSHYFZ-ONGXEEELSA-N 1 0 274.324 2.749 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc[nH]n1 ZINC000350039061 163052531 /nfs/dbraw/zinc/05/25/31/163052531.db2.gz WYRLIMHBMKFUNX-SNVBAGLBSA-N 1 0 260.297 2.511 20 5 CFBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350087132 163057416 /nfs/dbraw/zinc/05/74/16/163057416.db2.gz DIRCVMOTVCOBQP-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350312003 163071398 /nfs/dbraw/zinc/07/13/98/163071398.db2.gz LHKNWRRPLKWCRQ-IINYFYTJSA-N 1 0 284.331 2.621 20 5 CFBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350312005 163072303 /nfs/dbraw/zinc/07/23/03/163072303.db2.gz LHKNWRRPLKWCRQ-YGRLFVJLSA-N 1 0 284.331 2.621 20 5 CFBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000350749326 163104443 /nfs/dbraw/zinc/10/44/43/163104443.db2.gz RRDSTGQZALJFEZ-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000351498140 163135018 /nfs/dbraw/zinc/13/50/18/163135018.db2.gz AIDFBNQURPNFPU-KQQSKNTNSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352800282 163239655 /nfs/dbraw/zinc/23/96/55/163239655.db2.gz HMRWLVRNQMCQTP-JMCQJSRRSA-N 1 0 288.319 2.714 20 5 CFBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352878667 163259074 /nfs/dbraw/zinc/25/90/74/163259074.db2.gz DNQILMQPPPBHIQ-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C[N@@H+](C)C(C)C ZINC000353061735 163300076 /nfs/dbraw/zinc/30/00/76/163300076.db2.gz OLSMKZDTSQSVHC-ZDUSSCGKSA-N 1 0 279.384 2.722 20 5 CFBDRO CC[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000353087517 163304565 /nfs/dbraw/zinc/30/45/65/163304565.db2.gz YUIPWRVVFLVAQG-WOLRVDTOSA-N 1 0 264.325 2.623 20 5 CFBDRO CC(C)[C@](C)(CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353238142 163323425 /nfs/dbraw/zinc/32/34/25/163323425.db2.gz GLQRJCDEOCOZIT-LYASGUKUSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCC1 ZINC000353492763 163379124 /nfs/dbraw/zinc/37/91/24/163379124.db2.gz VCBSEFBYCRLITO-NSHDSACASA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284315127 196028882 /nfs/dbraw/zinc/02/88/82/196028882.db2.gz ASEVYDITPGAFOA-HUUCEWRRSA-N 1 0 276.336 2.738 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000284429157 196052789 /nfs/dbraw/zinc/05/27/89/196052789.db2.gz RHQMTUQBLAZFRX-OAHLLOKOSA-N 1 0 288.351 2.878 20 5 CFBDRO CC1CC[NH+](CCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000020146344 171032828 /nfs/dbraw/zinc/03/28/28/171032828.db2.gz GOARLIXVACLCAK-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474772 171219291 /nfs/dbraw/zinc/21/92/91/171219291.db2.gz KEMHQHDMEFWTJX-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000020506087 171228274 /nfs/dbraw/zinc/22/82/74/171228274.db2.gz NCLMUNUEBGBLIE-CYBMUJFWSA-N 1 0 288.351 2.841 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000021061338 171297338 /nfs/dbraw/zinc/29/73/38/171297338.db2.gz WCXZDGOBADQNCS-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO CCC[NH+](CCC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027269884 171511463 /nfs/dbraw/zinc/51/14/63/171511463.db2.gz FSSHNYWXHXUQAD-UHFFFAOYSA-N 1 0 279.340 2.655 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277387 172097368 /nfs/dbraw/zinc/09/73/68/172097368.db2.gz SYSWAXHRXFHSKC-CYBMUJFWSA-N 1 0 263.341 2.799 20 5 CFBDRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285154409 196209449 /nfs/dbraw/zinc/20/94/49/196209449.db2.gz MJLGUDFYJWOIAE-MWLCHTKSSA-N 1 0 283.397 2.969 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000035601116 172288990 /nfs/dbraw/zinc/28/89/90/172288990.db2.gz CTGARLXBWFYFFR-BLLLJJGKSA-N 1 0 286.331 2.979 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000285298360 196244197 /nfs/dbraw/zinc/24/41/97/196244197.db2.gz KYCWYCSKQSANGN-CQSZACIVSA-N 1 0 278.352 2.638 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035677573 172348351 /nfs/dbraw/zinc/34/83/51/172348351.db2.gz WCMIMEUVUKZVDF-UHFFFAOYSA-N 1 0 286.331 2.936 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000285360336 196261049 /nfs/dbraw/zinc/26/10/49/196261049.db2.gz AHKPZPXGNWPEHS-XJKSGUPXSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037176917 173010656 /nfs/dbraw/zinc/01/06/56/173010656.db2.gz FYBFZYAOPDFQLX-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H](CNCc1csc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000038042070 174044462 /nfs/dbraw/zinc/04/44/62/174044462.db2.gz JQESNXNSWOHVNG-LBPRGKRZSA-N 1 0 297.424 2.868 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038088195 174100824 /nfs/dbraw/zinc/10/08/24/174100824.db2.gz CSPJRTPPDMGKDS-VXGBXAGGSA-N 1 0 265.357 2.504 20 5 CFBDRO CC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038098041 174112395 /nfs/dbraw/zinc/11/23/95/174112395.db2.gz NMDPFMIKEKCSDN-GFCCVEGCSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000040503277 174300096 /nfs/dbraw/zinc/30/00/96/174300096.db2.gz VFRKQMNHOBDNNF-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO CCCCOCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000040507437 174302822 /nfs/dbraw/zinc/30/28/22/174302822.db2.gz UCDUVZCVRKYNCX-UHFFFAOYSA-N 1 0 282.340 2.510 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000040736155 174389226 /nfs/dbraw/zinc/38/92/26/174389226.db2.gz YQYLTQLSIYXALK-UHFFFAOYSA-N 1 0 286.331 2.941 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000044537743 175199548 /nfs/dbraw/zinc/19/95/48/175199548.db2.gz UYYWRTZAGDXIJF-GFCCVEGCSA-N 1 0 263.341 2.657 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044685474 175231564 /nfs/dbraw/zinc/23/15/64/175231564.db2.gz RGHARTFMZMAQCM-GXTWGEPZSA-N 1 0 289.379 2.791 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000049558745 175488175 /nfs/dbraw/zinc/48/81/75/175488175.db2.gz WSECKZSOPICRBO-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000076850467 177120622 /nfs/dbraw/zinc/12/06/22/177120622.db2.gz HPTJSKIXIGHPNO-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000418100313 228049861 /nfs/dbraw/zinc/04/98/61/228049861.db2.gz ONNONTPKPIKODD-CQSZACIVSA-N 1 0 266.341 2.746 20 5 CFBDRO CCN(Cc1cnn(C)c1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195518746 270254489 /nfs/dbraw/zinc/25/44/89/270254489.db2.gz XXQCARCALPQMOR-GFCCVEGCSA-N 1 0 288.351 2.911 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000093232583 263309849 /nfs/dbraw/zinc/30/98/49/263309849.db2.gz JXPJSAKIQNZSSG-NEPJUHHUSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(C)(C)C1 ZINC000072827714 264274023 /nfs/dbraw/zinc/27/40/23/264274023.db2.gz XNWOIVOAZGHGRE-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]([NH2+]Cc1ncccc1O)c1ccccc1[N+](=O)[O-] ZINC000518836833 265109418 /nfs/dbraw/zinc/10/94/18/265109418.db2.gz SDBQWIRBFCXTGL-JTQLQIEISA-N 1 0 273.292 2.546 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000514644527 266025370 /nfs/dbraw/zinc/02/53/70/266025370.db2.gz OGOQOMSAJFVIEY-CHWSQXEVSA-N 1 0 276.336 2.978 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CC1 ZINC000236858120 270263286 /nfs/dbraw/zinc/26/32/86/270263286.db2.gz OJNUHPHCZMTFQK-JTQLQIEISA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000250057541 270271632 /nfs/dbraw/zinc/27/16/32/270271632.db2.gz MPVYGSRHTGXBTE-ZLKJLUDKSA-N 1 0 278.352 2.713 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000250087367 270271907 /nfs/dbraw/zinc/27/19/07/270271907.db2.gz PWASIDQBVQXSQS-MLGOLLRUSA-N 1 0 292.379 2.921 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000398045093 270321169 /nfs/dbraw/zinc/32/11/69/270321169.db2.gz ARALJEQOQITWPC-BXKDBHETSA-N 1 0 284.743 2.905 20 5 CFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000827720307 782042031 /nfs/dbraw/zinc/04/20/31/782042031.db2.gz CAGPNZQLSVCNQP-JSGCOSHPSA-N 1 0 289.335 2.550 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290085924 274056968 /nfs/dbraw/zinc/05/69/68/274056968.db2.gz HCSSUMFAAFQROG-ZETOZRRWSA-N 1 0 278.352 2.985 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000286415320 274429864 /nfs/dbraw/zinc/42/98/64/274429864.db2.gz MOAZYGUBXWAMAP-RISCZKNCSA-N 1 0 293.342 2.797 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286505456 274709744 /nfs/dbraw/zinc/70/97/44/274709744.db2.gz SKBJCONXEUABRE-XJKSGUPXSA-N 1 0 289.379 2.966 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000143965864 275036199 /nfs/dbraw/zinc/03/61/99/275036199.db2.gz QBXWLOFCWKJVLM-HNNXBMFYSA-N 1 0 275.352 2.659 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186509210 275732040 /nfs/dbraw/zinc/73/20/40/275732040.db2.gz MIQQUUXEHNFLPH-JCMPJRQWSA-N 1 0 264.325 2.573 20 5 CFBDRO CC(C)c1ccc(CN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000435230327 276052616 /nfs/dbraw/zinc/05/26/16/276052616.db2.gz OVUAIYRXGLEQNR-UHFFFAOYSA-N 1 0 291.395 2.856 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000045692580 276104817 /nfs/dbraw/zinc/10/48/17/276104817.db2.gz ZWNZPVGITAMFGU-CYBMUJFWSA-N 1 0 279.384 2.723 20 5 CFBDRO CCN1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341877578 276253825 /nfs/dbraw/zinc/25/38/25/276253825.db2.gz PFDFNTLUQLZKQW-SCRDCRAPSA-N 1 0 277.368 2.586 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000353810990 276353630 /nfs/dbraw/zinc/35/36/30/276353630.db2.gz DXTALADDHCCDNA-UHFFFAOYSA-N 1 0 292.335 2.836 20 5 CFBDRO CC[C@H]([NH2+]CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087016205 276584229 /nfs/dbraw/zinc/58/42/29/276584229.db2.gz ZJGALIZYKMFETI-AWEZNQCLSA-N 1 0 278.352 2.941 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000276970088 276831631 /nfs/dbraw/zinc/83/16/31/276831631.db2.gz DNXJCWNMUMGHEW-SNVBAGLBSA-N 1 0 299.321 2.794 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000268816373 277084500 /nfs/dbraw/zinc/08/45/00/277084500.db2.gz IMGMHDVMQMFGLL-SWLSCSKDSA-N 1 0 275.352 2.515 20 5 CFBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668317 277177877 /nfs/dbraw/zinc/17/78/77/277177877.db2.gz CODQIVRUPYTGAP-NSHDSACASA-N 1 0 266.341 2.888 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293821913 277636641 /nfs/dbraw/zinc/63/66/41/277636641.db2.gz WLIAWPHWUSRHSR-HZMBPMFUSA-N 1 0 264.325 2.670 20 5 CFBDRO CSC[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000330536815 278137244 /nfs/dbraw/zinc/13/72/44/278137244.db2.gz KBJOSDVSWVDYDV-SDDRHHMPSA-N 1 0 298.412 2.616 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000217635515 278282862 /nfs/dbraw/zinc/28/28/62/278282862.db2.gz LXDZQASNPCSFGC-RCBQFDQVSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@@H](CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279136513 278288072 /nfs/dbraw/zinc/28/80/72/278288072.db2.gz RNWKRPJZQDMXCU-YGRLFVJLSA-N 1 0 278.352 2.535 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000049574768 278346913 /nfs/dbraw/zinc/34/69/13/278346913.db2.gz LIKSDTDTFLEVIQ-CYBMUJFWSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](C)C1CCCCC1 ZINC000181443723 278349066 /nfs/dbraw/zinc/34/90/66/278349066.db2.gz YBSNDGPOTRYFBR-QWHCGFSZSA-N 1 0 294.399 2.986 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000222148759 278374695 /nfs/dbraw/zinc/37/46/95/278374695.db2.gz QIXJXZGOXGXXAM-MWLCHTKSSA-N 1 0 252.339 2.751 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1F ZINC000286434934 278970451 /nfs/dbraw/zinc/97/04/51/278970451.db2.gz SCTKRASGMVEUGD-YPMHNXCESA-N 1 0 293.342 2.797 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000287107688 279088523 /nfs/dbraw/zinc/08/85/23/279088523.db2.gz WOSRIGHPMYXGEG-CJNGLKHVSA-N 1 0 289.379 2.653 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176925 279107442 /nfs/dbraw/zinc/10/74/42/279107442.db2.gz GVQGWQKJDMINGD-LBPRGKRZSA-N 1 0 265.357 2.587 20 5 CFBDRO CCN1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449093898 279323652 /nfs/dbraw/zinc/32/36/52/279323652.db2.gz QHYAMBXLBYCZFZ-HIFRSBDPSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000286419767 280102262 /nfs/dbraw/zinc/10/22/62/280102262.db2.gz MXYXUPWVRCANRH-WFASDCNBSA-N 1 0 275.352 2.658 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492434368 288207907 /nfs/dbraw/zinc/20/79/07/288207907.db2.gz CGVPSGHFANVAOD-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301124295 280374951 /nfs/dbraw/zinc/37/49/51/280374951.db2.gz YVPBBSCKVFVWHL-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO C[C@H]([NH2+]CCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000045105679 280423380 /nfs/dbraw/zinc/42/33/80/280423380.db2.gz HJDFPUQHOOEOGK-ZDUSSCGKSA-N 1 0 288.351 2.922 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000071207210 280486464 /nfs/dbraw/zinc/48/64/64/280486464.db2.gz JOIDKPMXAIGPIW-BXUZGUMPSA-N 1 0 264.325 2.752 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000081545004 280544492 /nfs/dbraw/zinc/54/44/92/280544492.db2.gz SNVXAHQEBMXYNE-NSHDSACASA-N 1 0 280.324 2.589 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000128219338 280674654 /nfs/dbraw/zinc/67/46/54/280674654.db2.gz PGGJKQBUUWTWBR-DGCLKSJQSA-N 1 0 266.341 2.715 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131920210 280724948 /nfs/dbraw/zinc/72/49/48/280724948.db2.gz MVJVBYMFCIJNPF-GHMZBOCLSA-N 1 0 252.314 2.589 20 5 CFBDRO CC[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282181948 280934238 /nfs/dbraw/zinc/93/42/38/280934238.db2.gz FRQGVQVLRSYRIL-RBZFPXEDSA-N 1 0 296.392 2.547 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000268881272 281014300 /nfs/dbraw/zinc/01/43/00/281014300.db2.gz WLGATTUVSRLZAM-KGLIPLIRSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000343631125 281014781 /nfs/dbraw/zinc/01/47/81/281014781.db2.gz NBCZAHVFLNOIEN-ZIAGYGMSSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](CCO)CC1CC1 ZINC000352450542 281019545 /nfs/dbraw/zinc/01/95/45/281019545.db2.gz RJELIYROLWOHIH-GFCCVEGCSA-N 1 0 278.352 2.669 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305805631 281021324 /nfs/dbraw/zinc/02/13/24/281021324.db2.gz GDKRADDVPSZYJI-TYNCELHUSA-N 1 0 278.352 2.667 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000249035440 281045330 /nfs/dbraw/zinc/04/53/30/281045330.db2.gz CEAHWSNMTAOQKG-WBMJQRKESA-N 1 0 292.379 2.921 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000251204896 281071425 /nfs/dbraw/zinc/07/14/25/281071425.db2.gz GUKBWIHFKAZRDU-AEGPPILISA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000251022616 281071435 /nfs/dbraw/zinc/07/14/35/281071435.db2.gz WAARGZCURORSAC-OLZOCXBDSA-N 1 0 275.352 2.942 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000252732610 281077147 /nfs/dbraw/zinc/07/71/47/281077147.db2.gz VZIJFXMGJKCLNR-BPLDGKMQSA-N 1 0 278.352 2.939 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000293596114 281138472 /nfs/dbraw/zinc/13/84/72/281138472.db2.gz FSPYNCVBLMNDLJ-WDEREUQCSA-N 1 0 286.335 2.984 20 5 CFBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358024599 281181533 /nfs/dbraw/zinc/18/15/33/281181533.db2.gz RJXOZECPNYXOIR-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000395717885 281196190 /nfs/dbraw/zinc/19/61/90/281196190.db2.gz NZQFWVFQVAFAFW-GVXVVHGQSA-N 1 0 266.341 2.713 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000397797033 281202254 /nfs/dbraw/zinc/20/22/54/281202254.db2.gz KELHFXCTQUYOPQ-ONGXEEELSA-N 1 0 282.365 2.587 20 5 CFBDRO Cc1cc(NCC2([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000397950317 281203557 /nfs/dbraw/zinc/20/35/57/281203557.db2.gz ZDLWCGPUHRAEEX-UHFFFAOYSA-N 1 0 267.304 2.548 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000398099909 281204234 /nfs/dbraw/zinc/20/42/34/281204234.db2.gz HGKQVWIZPMAPST-AAEUAGOBSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763226 281209037 /nfs/dbraw/zinc/20/90/37/281209037.db2.gz WQPNUKZWCWETQE-WDEREUQCSA-N 1 0 298.770 2.699 20 5 CFBDRO Cc1cccc(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277288014 281226644 /nfs/dbraw/zinc/22/66/44/281226644.db2.gz ZGLCNSQRPCAFHM-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCO)CC1 ZINC000525271402 281313766 /nfs/dbraw/zinc/31/37/66/281313766.db2.gz WRRWQZQUUHZHGF-GFCCVEGCSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000537326118 281536178 /nfs/dbraw/zinc/53/61/78/281536178.db2.gz XDGWGETXWXXSSY-DMNRHZRNSA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549041826 281810501 /nfs/dbraw/zinc/81/05/01/281810501.db2.gz XVRDMHVHBWFNAI-ZLKJLUDKSA-N 1 0 276.336 2.882 20 5 CFBDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000552040449 281851664 /nfs/dbraw/zinc/85/16/64/281851664.db2.gz LMEYZPLCGAQKIS-HUUCEWRRSA-N 1 0 278.352 2.998 20 5 CFBDRO COC(C)(C)CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560463279 282028558 /nfs/dbraw/zinc/02/85/58/282028558.db2.gz YVQCKNDGKJYSBH-UHFFFAOYSA-N 1 0 288.294 2.730 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000562535308 290052403 /nfs/dbraw/zinc/05/24/03/290052403.db2.gz GFEKFXRQJBZTGE-LNVAGALZSA-N 1 0 276.336 2.765 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](C)O ZINC000562789445 290075930 /nfs/dbraw/zinc/07/59/30/290075930.db2.gz ASIOXLJHGNJZRK-WDMOLILDSA-N 1 0 266.341 2.713 20 5 CFBDRO [NH3+]CCC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000563231874 290121847 /nfs/dbraw/zinc/12/18/47/290121847.db2.gz QSKMYBFYDQYUJH-HWKANZROSA-N 1 0 289.379 2.669 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000563420750 290147663 /nfs/dbraw/zinc/14/76/63/290147663.db2.gz XPMYUDQHUXSZMA-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820079 290176400 /nfs/dbraw/zinc/17/64/00/290176400.db2.gz BZYQLDPQYJRCHQ-BXUZGUMPSA-N 1 0 278.352 2.844 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000564727469 290227438 /nfs/dbraw/zinc/22/74/38/290227438.db2.gz DQJGXTHFGBQXST-DGCLKSJQSA-N 1 0 278.352 2.985 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000368389733 290233648 /nfs/dbraw/zinc/23/36/48/290233648.db2.gz YLRBLHJQTJAJAK-GWCFXTLKSA-N 1 0 295.770 2.779 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000564918634 290249473 /nfs/dbraw/zinc/24/94/73/290249473.db2.gz ZGIWWDQBLBZXIB-RISCZKNCSA-N 1 0 296.754 2.859 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000566489528 290395054 /nfs/dbraw/zinc/39/50/54/290395054.db2.gz QMQHVVCERYEGDL-MPKXVKKWSA-N 1 0 264.325 2.549 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC[C@@H]1CCOC1 ZINC000567366733 290458950 /nfs/dbraw/zinc/45/89/50/290458950.db2.gz IMQBDHDIERYSET-DOMZBBRYSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC[C@H]1CCOC1 ZINC000567366736 290459027 /nfs/dbraw/zinc/45/90/27/290459027.db2.gz IMQBDHDIERYSET-WFASDCNBSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000568879007 290575231 /nfs/dbraw/zinc/57/52/31/290575231.db2.gz DBBGLDUBMLDRKF-SQWLQELKSA-N 1 0 288.347 2.739 20 5 CFBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294860211 300297544 /nfs/dbraw/zinc/29/75/44/300297544.db2.gz DCYWHRJUJFGRIP-LLVKDONJSA-N 1 0 293.342 2.654 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000249302688 301787284 /nfs/dbraw/zinc/78/72/84/301787284.db2.gz MATNIRZQFKNCEY-MBNYWOFBSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000341725518 304806010 /nfs/dbraw/zinc/80/60/10/304806010.db2.gz FBOWBDMAUDCEMD-LBPRGKRZSA-N 1 0 293.342 2.799 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000161472547 322351971 /nfs/dbraw/zinc/35/19/71/322351971.db2.gz IVEGSXUWAMVYSR-GFCCVEGCSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C)COC1 ZINC000164405014 322381993 /nfs/dbraw/zinc/38/19/93/322381993.db2.gz CTOQQFCFUZUUCQ-LLVKDONJSA-N 1 0 264.325 2.590 20 5 CFBDRO CC[C@H](COC)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569848721 322500697 /nfs/dbraw/zinc/50/06/97/322500697.db2.gz WLVGAGAAUXPLCN-GFCCVEGCSA-N 1 0 291.351 2.633 20 5 CFBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000182345763 323858474 /nfs/dbraw/zinc/85/84/74/323858474.db2.gz ALFXXEBIRUSWFR-GJZGRUSLSA-N 1 0 294.351 2.521 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000349420067 324173396 /nfs/dbraw/zinc/17/33/96/324173396.db2.gz DIOLEJPDIXIKLT-UISIKIEVSA-N 1 0 278.352 2.881 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000349424638 324173706 /nfs/dbraw/zinc/17/37/06/324173706.db2.gz TXMRDOQMDVPFLE-SQLJOLKNSA-N 1 0 292.379 2.833 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000577115959 324698973 /nfs/dbraw/zinc/69/89/73/324698973.db2.gz ULWKLQYDEQRYSM-NHYWBVRUSA-N 1 0 280.368 2.790 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578378819 324846760 /nfs/dbraw/zinc/84/67/60/324846760.db2.gz PWOVNOHSUDZMHW-GZBFAFLISA-N 1 0 276.336 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC2(O)CCCC2)cc1 ZINC000579583485 324962243 /nfs/dbraw/zinc/96/22/43/324962243.db2.gz WNGGZEMFAAWSIE-UHFFFAOYSA-N 1 0 292.379 2.812 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449404 325037834 /nfs/dbraw/zinc/03/78/34/325037834.db2.gz OWVKCGXAECSZNA-SMDDNHRTSA-N 1 0 278.352 2.580 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449451 325037900 /nfs/dbraw/zinc/03/79/00/325037900.db2.gz QHTRAIXIZRWXDO-ZWNOBZJWSA-N 1 0 264.325 2.597 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC2(CC[NH2+]C2)CC1 ZINC000581181532 325097641 /nfs/dbraw/zinc/09/76/41/325097641.db2.gz LMOSUVOINOEJAL-UHFFFAOYSA-N 1 0 295.770 2.828 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000581206589 325100922 /nfs/dbraw/zinc/10/09/22/325100922.db2.gz WJKXIVKOYSDKCN-MNOVXSKESA-N 1 0 297.330 2.650 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H]1C(F)F ZINC000581320404 325111675 /nfs/dbraw/zinc/11/16/75/325111675.db2.gz CFJPNJDQFPLTEP-DCAQKATOSA-N 1 0 268.263 2.825 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CSCC1CC[NH2+]CC1 ZINC000582485249 325208456 /nfs/dbraw/zinc/20/84/56/325208456.db2.gz VHRNQJOKEUYOFN-UHFFFAOYSA-N 1 0 296.392 2.836 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CF)CCC1 ZINC000583499526 325292301 /nfs/dbraw/zinc/29/23/01/325292301.db2.gz LOYJKTONRCCUAH-UHFFFAOYSA-N 1 0 252.289 2.885 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000583938221 325320132 /nfs/dbraw/zinc/32/01/32/325320132.db2.gz PNSJGFMRNRVRAU-MWLCHTKSSA-N 1 0 272.370 2.543 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000584083534 325329199 /nfs/dbraw/zinc/32/91/99/325329199.db2.gz WUDCBENPJUBPEF-UTUOFQBUSA-N 1 0 266.341 2.977 20 5 CFBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cc1F ZINC000223250866 521609886 /nfs/dbraw/zinc/60/98/86/521609886.db2.gz JICBLLAWOVFQLQ-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423278882 534226153 /nfs/dbraw/zinc/22/61/53/534226153.db2.gz RHFJUZNWMDAHLJ-AAEUAGOBSA-N 1 0 265.357 2.537 20 5 CFBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000361268370 519663330 /nfs/dbraw/zinc/66/33/30/519663330.db2.gz VOFXFCNARSRZSO-UHFFFAOYSA-N 1 0 274.324 2.844 20 5 CFBDRO CCC[C@@H]([NH2+]CC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982740 520773465 /nfs/dbraw/zinc/77/34/65/520773465.db2.gz ATBXIQUQJQSFKW-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000168497193 521170340 /nfs/dbraw/zinc/17/03/40/521170340.db2.gz ODHHHHYSVXAYFI-UHBVIIIMSA-N 1 0 298.408 2.793 20 5 CFBDRO CCC[C@H]([NH2+][C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730606 521174976 /nfs/dbraw/zinc/17/49/76/521174976.db2.gz YCZZKACNIIIGEV-DOMZBBRYSA-N 1 0 279.384 2.976 20 5 CFBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000414843460 534549664 /nfs/dbraw/zinc/54/96/64/534549664.db2.gz ODZCOGSDZRCLTE-UHFFFAOYSA-N 1 0 297.786 2.999 20 5 CFBDRO CCOc1cccc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000166910156 521398323 /nfs/dbraw/zinc/39/83/23/521398323.db2.gz VUSIUYIUSKVSDA-LLVKDONJSA-N 1 0 279.340 2.548 20 5 CFBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000195527219 521446397 /nfs/dbraw/zinc/44/63/97/521446397.db2.gz XIZAZJMRADKVRG-UHFFFAOYSA-N 1 0 290.323 2.875 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000420277712 534574075 /nfs/dbraw/zinc/57/40/75/534574075.db2.gz IRYVZUTVGIEBMG-XOIHQXTHSA-N 1 0 297.305 2.801 20 5 CFBDRO CCC[N@H+](CC)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000220277473 521610463 /nfs/dbraw/zinc/61/04/63/521610463.db2.gz BLIQAIHOIBZBFW-UHFFFAOYSA-N 1 0 291.355 2.615 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000142109881 521822422 /nfs/dbraw/zinc/82/24/22/521822422.db2.gz FIXVGTLPNMQKKE-TUAOUCFPSA-N 1 0 293.367 2.946 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000142084843 522298819 /nfs/dbraw/zinc/29/88/19/522298819.db2.gz HPCCKKCGISOPCP-UTUOFQBUSA-N 1 0 293.367 2.946 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CCOC)COC)c1cccc([N+](=O)[O-])c1 ZINC000314374247 522919524 /nfs/dbraw/zinc/91/95/24/522919524.db2.gz QBYJYKCTMSGLSY-DZGCQCFKSA-N 1 0 296.367 2.687 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160327827 522942490 /nfs/dbraw/zinc/94/24/90/522942490.db2.gz SJBUUUZLIQEJSV-TZMCWYRMSA-N 1 0 298.408 2.750 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000192623385 523668959 /nfs/dbraw/zinc/66/89/59/523668959.db2.gz GSSGIXFMKFRFBY-LLVKDONJSA-N 1 0 297.403 2.508 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000364854861 523784404 /nfs/dbraw/zinc/78/44/04/523784404.db2.gz LHQUNVAEHSYXMP-OASPWFOLSA-N 1 0 296.392 2.950 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000156464220 524071980 /nfs/dbraw/zinc/07/19/80/524071980.db2.gz UCHNMJKEXPSLQF-GFCCVEGCSA-N 1 0 296.392 2.979 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337485479 524336394 /nfs/dbraw/zinc/33/63/94/524336394.db2.gz YJYCCSACQBDPIQ-RISCZKNCSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCC2)n1 ZINC000359112012 524336840 /nfs/dbraw/zinc/33/68/40/524336840.db2.gz WVFYVOFYPZFSFY-UHFFFAOYSA-N 1 0 292.383 2.893 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000155985439 524386565 /nfs/dbraw/zinc/38/65/65/524386565.db2.gz FPGJVINMTXGMAS-NWDGAFQWSA-N 1 0 291.351 2.559 20 5 CFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230152452 525041426 /nfs/dbraw/zinc/04/14/26/525041426.db2.gz SOSIBUMSVIEMDJ-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCOC1 ZINC000230147738 525298141 /nfs/dbraw/zinc/29/81/41/525298141.db2.gz DMNGMFLUQJVAID-ZDUSSCGKSA-N 1 0 284.743 2.907 20 5 CFBDRO CSCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000069433636 525482352 /nfs/dbraw/zinc/48/23/52/525482352.db2.gz XAKFQAYDFFTSCM-JTQLQIEISA-N 1 0 254.355 2.999 20 5 CFBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000305108986 525641326 /nfs/dbraw/zinc/64/13/26/525641326.db2.gz CFXVBWLHELAZEM-WCQYABFASA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccnc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000360277547 525690924 /nfs/dbraw/zinc/69/09/24/525690924.db2.gz DBHCWPAMYKSZJR-STQMWFEESA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1c(CN2C[C@@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000261964696 525707933 /nfs/dbraw/zinc/70/79/33/525707933.db2.gz PDZKKDXCHSILDG-HNNXBMFYSA-N 1 0 297.358 2.793 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000235963872 525730558 /nfs/dbraw/zinc/73/05/58/525730558.db2.gz GAIRNZKDOQCSOT-DZGCQCFKSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000313075128 525732251 /nfs/dbraw/zinc/73/22/51/525732251.db2.gz WDYZGAGKNSYTPB-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cccc1[N+](=O)[O-] ZINC000166262701 525917575 /nfs/dbraw/zinc/91/75/75/525917575.db2.gz VFSKQLQJCDGFIG-BLLLJJGKSA-N 1 0 291.395 2.894 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000162715564 526059926 /nfs/dbraw/zinc/05/99/26/526059926.db2.gz OEHAUBFGCFWZOZ-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360264125 526221299 /nfs/dbraw/zinc/22/12/99/526221299.db2.gz CFOUHQHXQSYVEJ-WDEREUQCSA-N 1 0 280.372 2.633 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152976155 527347718 /nfs/dbraw/zinc/34/77/18/527347718.db2.gz XTAUKPGMEXHNSC-GDBMZVCRSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160747182 527348577 /nfs/dbraw/zinc/34/85/77/527348577.db2.gz YLSGSGQUKNXFTN-ZBFHGGJFSA-N 1 0 290.363 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CCO)c(Cl)c1 ZINC000311329821 527349199 /nfs/dbraw/zinc/34/91/99/527349199.db2.gz FWYZMRVHHYOIFM-NSHDSACASA-N 1 0 284.743 2.595 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000305195250 527353093 /nfs/dbraw/zinc/35/30/93/527353093.db2.gz WCHHPRJIWXVHAI-KRWDZBQOSA-N 1 0 298.342 2.518 20 5 CFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CC3)CC2)cc1 ZINC000156588611 527370571 /nfs/dbraw/zinc/37/05/71/527370571.db2.gz UXKVKKUXGCQJBN-UHFFFAOYSA-N 1 0 276.336 2.848 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccsc2)cc1 ZINC000063152829 527373271 /nfs/dbraw/zinc/37/32/71/527373271.db2.gz CANGRGIUFRAKRO-UHFFFAOYSA-N 1 0 278.333 2.825 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOC2CCCC2)c1 ZINC000070168411 527385887 /nfs/dbraw/zinc/38/58/87/527385887.db2.gz QUTXFDGJSFJZNM-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000236046529 527388410 /nfs/dbraw/zinc/38/84/10/527388410.db2.gz PRNZVIHNZSNFAB-JSGCOSHPSA-N 1 0 296.754 2.905 20 5 CFBDRO CCC[C@H](NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423181801 528214756 /nfs/dbraw/zinc/21/47/56/528214756.db2.gz JNRHODGDYOSLCQ-HNNXBMFYSA-N 1 0 277.368 2.778 20 5 CFBDRO CCC[NH2+]CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414863657 528510348 /nfs/dbraw/zinc/51/03/48/528510348.db2.gz AZUVKYKIOZFDFE-UHFFFAOYSA-N 1 0 279.384 2.807 20 5 CFBDRO CCOc1ccc([C@@H](C)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423281441 528594237 /nfs/dbraw/zinc/59/42/37/528594237.db2.gz UZTXEQZBDBFRRG-YPMHNXCESA-N 1 0 295.383 2.627 20 5 CFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414658199 528815205 /nfs/dbraw/zinc/81/52/05/528815205.db2.gz LFERSSNKJWZRJC-NSHDSACASA-N 1 0 294.355 2.542 20 5 CFBDRO CC[C@H](C)[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174848475 529238066 /nfs/dbraw/zinc/23/80/66/529238066.db2.gz RGKRJRKDHAHVDM-RYUDHWBXSA-N 1 0 280.372 2.690 20 5 CFBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000492818946 534947574 /nfs/dbraw/zinc/94/75/74/534947574.db2.gz QICPVTVZWGZAJB-NEPJUHHUSA-N 1 0 280.372 2.777 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341822068 534949844 /nfs/dbraw/zinc/94/98/44/534949844.db2.gz KSONAIBIFPDXSH-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000449788353 535245487 /nfs/dbraw/zinc/24/54/87/535245487.db2.gz XRFUCWYGDDDYQF-LBPRGKRZSA-N 1 0 283.397 2.571 20 5 CFBDRO CC[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000499943762 536174352 /nfs/dbraw/zinc/17/43/52/536174352.db2.gz DXZNUUCGNIMYPW-WDEREUQCSA-N 1 0 279.340 2.700 20 5 CFBDRO COCCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449109021 536878832 /nfs/dbraw/zinc/87/88/32/536878832.db2.gz WWBSHYXJCIGPQW-CYBMUJFWSA-N 1 0 280.368 2.932 20 5 CFBDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000459693966 536956877 /nfs/dbraw/zinc/95/68/77/536956877.db2.gz IFIYJAQCFMBLJY-CQSZACIVSA-N 1 0 298.342 2.860 20 5 CFBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001155021057 782170159 /nfs/dbraw/zinc/17/01/59/782170159.db2.gz UAMCFIWCNNHHGD-UWVGGRQHSA-N 1 0 298.774 2.691 20 5 CFBDRO C[C@@H]1CC[N@H+](CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000744450170 574074805 /nfs/dbraw/zinc/07/48/05/574074805.db2.gz ODEMCGHKVPVXEO-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CCC[N@H+](CC)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746108170 574134471 /nfs/dbraw/zinc/13/44/71/574134471.db2.gz XYGVYQQITLJKCW-UHFFFAOYSA-N 1 0 299.758 2.919 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900285 574135476 /nfs/dbraw/zinc/13/54/76/574135476.db2.gz GLBWSOPTHRNHEV-GFCCVEGCSA-N 1 0 286.335 2.758 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](CCCCO)C1CC1 ZINC000746674338 574162240 /nfs/dbraw/zinc/16/22/40/574162240.db2.gz UTJPIHNBLVKKOY-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329612 574222461 /nfs/dbraw/zinc/22/24/61/574222461.db2.gz HRGBTOZPWHUNIW-NSHDSACASA-N 1 0 292.257 2.570 20 5 CFBDRO CCC[N@H+](CC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000750604950 574348984 /nfs/dbraw/zinc/34/89/84/574348984.db2.gz ZPTVMRKVZQBHRL-UHFFFAOYSA-N 1 0 289.339 2.543 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000743653011 574370301 /nfs/dbraw/zinc/37/03/01/574370301.db2.gz IPNHEEZGJWSHFK-VIFPVBQESA-N 1 0 275.135 2.878 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000891642838 617693840 /nfs/dbraw/zinc/69/38/40/617693840.db2.gz DKYFAZCOZHZYRN-SECBINFHSA-N 1 0 280.324 2.539 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000934007661 617862468 /nfs/dbraw/zinc/86/24/68/617862468.db2.gz HOTALLFZDWKIJP-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000892069924 617937474 /nfs/dbraw/zinc/93/74/74/617937474.db2.gz QIAAATZTVDZIKY-GHMZBOCLSA-N 1 0 294.351 2.929 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000892209631 617999867 /nfs/dbraw/zinc/99/98/67/617999867.db2.gz CJNLFJQEGYJTPE-UWVGGRQHSA-N 1 0 280.324 2.539 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000049963383 618054472 /nfs/dbraw/zinc/05/44/72/618054472.db2.gz NJSKWBCQWODGCY-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO CCCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H](C)CC ZINC000077435526 618136021 /nfs/dbraw/zinc/13/60/21/618136021.db2.gz XOIYQTCXNCZYBE-LLVKDONJSA-N 1 0 254.334 2.649 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000219095737 618159888 /nfs/dbraw/zinc/15/98/88/618159888.db2.gz IEEQJHSQPMHDBV-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO [NH3+]CCC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633689 618209253 /nfs/dbraw/zinc/20/92/53/618209253.db2.gz WKJIQHHFIIPWCA-UHFFFAOYSA-N 1 0 297.786 2.809 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000891456954 618221859 /nfs/dbraw/zinc/22/18/59/618221859.db2.gz NWADGOYTZJNPKO-JTQLQIEISA-N 1 0 280.324 2.683 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC2(C)CC2)c1[N+](=O)[O-] ZINC000894134660 618378385 /nfs/dbraw/zinc/37/83/85/618378385.db2.gz QTADZODNQNTZQO-UHFFFAOYSA-N 1 0 280.324 2.589 20 5 CFBDRO C[C@H]1C[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235690928 618412319 /nfs/dbraw/zinc/41/23/19/618412319.db2.gz FMMLVKFGXMXKCS-JGVFFNPUSA-N 1 0 287.722 2.940 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892509866 618433062 /nfs/dbraw/zinc/43/30/62/618433062.db2.gz DEELKDRNVBOILX-CMPLNLGQSA-N 1 0 294.351 2.977 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1Cl ZINC000895193287 618460781 /nfs/dbraw/zinc/46/07/81/618460781.db2.gz SPVGDOGYSZIGDR-CMPLNLGQSA-N 1 0 295.770 2.921 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000236062946 618604820 /nfs/dbraw/zinc/60/48/20/618604820.db2.gz XNUYMLAHUUDEAD-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000311374187 618709389 /nfs/dbraw/zinc/70/93/89/618709389.db2.gz VJVFYBREOKFJTD-GFCCVEGCSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000311764170 618722690 /nfs/dbraw/zinc/72/26/90/618722690.db2.gz WMFSPIHAMOIKNB-NWDGAFQWSA-N 1 0 264.325 2.815 20 5 CFBDRO CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000892936371 618773538 /nfs/dbraw/zinc/77/35/38/618773538.db2.gz GNXKLFBBZYBRFL-UHFFFAOYSA-N 1 0 290.319 2.919 20 5 CFBDRO C[N@H+](CC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103457918 618777217 /nfs/dbraw/zinc/77/72/17/618777217.db2.gz YPJHSTTVOLOWHC-UHFFFAOYSA-N 1 0 286.335 2.758 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC2=CCCC2)c1[N+](=O)[O-] ZINC000893224002 618893393 /nfs/dbraw/zinc/89/33/93/618893393.db2.gz UQFAPILKNWZYIF-UHFFFAOYSA-N 1 0 292.335 2.899 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587259 618931964 /nfs/dbraw/zinc/93/19/64/618931964.db2.gz VPEDVQLJDUGYOS-UHIISALHSA-N 1 0 264.325 2.501 20 5 CFBDRO CCc1ccc(C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000931329569 618948810 /nfs/dbraw/zinc/94/88/10/618948810.db2.gz BTYXBTTZLDZQKJ-UHFFFAOYSA-N 1 0 262.353 2.705 20 5 CFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000313458044 618989622 /nfs/dbraw/zinc/98/96/22/618989622.db2.gz CPURPULIGUIDRT-YGRLFVJLSA-N 1 0 297.786 2.773 20 5 CFBDRO Nc1cc[nH+]c(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000925765735 619076693 /nfs/dbraw/zinc/07/66/93/619076693.db2.gz DDERBIFPGNAWKQ-MRXNPFEDSA-N 1 0 298.346 2.739 20 5 CFBDRO Cc1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000094749443 619136115 /nfs/dbraw/zinc/13/61/15/619136115.db2.gz YQLFQULLVIHKHJ-OLZOCXBDSA-N 1 0 291.351 2.749 20 5 CFBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980382 619209996 /nfs/dbraw/zinc/20/99/96/619209996.db2.gz YKRNPQBOKATABF-CMPLNLGQSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000178869844 619261847 /nfs/dbraw/zinc/26/18/47/619261847.db2.gz QRPGCHYWLGBSOM-MFKMUULPSA-N 1 0 266.341 2.652 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000894238469 619275267 /nfs/dbraw/zinc/27/52/67/619275267.db2.gz DNQZZSGTXJCYOS-MNOVXSKESA-N 1 0 294.351 2.835 20 5 CFBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000048391970 619330672 /nfs/dbraw/zinc/33/06/72/619330672.db2.gz WCNYQLJDVVQQRL-UHFFFAOYSA-N 1 0 274.324 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000261971879 619356862 /nfs/dbraw/zinc/35/68/62/619356862.db2.gz QKAGFEJRYGQBOW-GFCCVEGCSA-N 1 0 295.770 2.575 20 5 CFBDRO C[NH+]1C[C@@]2(C)CN(c3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894801924 619469703 /nfs/dbraw/zinc/46/97/03/619469703.db2.gz KQAGJMVSPSHLRD-GJZGRUSLSA-N 1 0 293.342 2.512 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000894849157 619482828 /nfs/dbraw/zinc/48/28/28/619482828.db2.gz BPJPDAGBICNXEY-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](CF)C1 ZINC000895575368 619558208 /nfs/dbraw/zinc/55/82/08/619558208.db2.gz SEVTXLFDFGYPTN-KTLBGCOUSA-N 1 0 264.300 2.899 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737642 619597991 /nfs/dbraw/zinc/59/79/91/619597991.db2.gz QKERWWCGTHVIMU-PSASIEDQSA-N 1 0 299.758 2.761 20 5 CFBDRO C[C@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895738087 619598045 /nfs/dbraw/zinc/59/80/45/619598045.db2.gz SWVADRWOLMYHLN-IINYFYTJSA-N 1 0 286.335 2.648 20 5 CFBDRO Cc1n[nH]c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000897459995 620176448 /nfs/dbraw/zinc/17/64/48/620176448.db2.gz PWHWIGOBSIYGBB-SNVBAGLBSA-N 1 0 288.351 2.828 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897460151 620176703 /nfs/dbraw/zinc/17/67/03/620176703.db2.gz FHXIZYYVRGHDQT-NWDGAFQWSA-N 1 0 278.352 2.855 20 5 CFBDRO CCn1cncc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461368 620176800 /nfs/dbraw/zinc/17/68/00/620176800.db2.gz NQDXQLNABSLLMZ-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463687 620176970 /nfs/dbraw/zinc/17/69/70/620176970.db2.gz BJKHRLXLDYRFCR-XQQFMLRXSA-N 1 0 278.352 2.855 20 5 CFBDRO CC[C@@H](COC)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465393 620177162 /nfs/dbraw/zinc/17/71/62/620177162.db2.gz VKTXNWJEEYXOFY-NEPJUHHUSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1n[nH]cc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469585 620178328 /nfs/dbraw/zinc/17/83/28/620178328.db2.gz MYCBXQQOSIVZAB-SNVBAGLBSA-N 1 0 274.324 2.520 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2O)cc1 ZINC000897539898 620228857 /nfs/dbraw/zinc/22/88/57/620228857.db2.gz ZCEBBTUDDBREMA-UKRRQHHQSA-N 1 0 278.352 2.626 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C2CC(CCO)C2)cc1[N+](=O)[O-] ZINC000898007378 620315919 /nfs/dbraw/zinc/31/59/19/620315919.db2.gz DWLBAVKWWQVBER-UHFFFAOYSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000898206875 620345268 /nfs/dbraw/zinc/34/52/68/620345268.db2.gz XUPCIMPXLGQGCR-MRXNPFEDSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1cc(C)c(OC(=O)CC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000901572677 620867097 /nfs/dbraw/zinc/86/70/97/620867097.db2.gz LOWHOQQVUCJHMV-UHFFFAOYSA-N 1 0 294.351 2.895 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903074951 621243231 /nfs/dbraw/zinc/24/32/31/621243231.db2.gz QDDJRHUAJYIQOZ-NWDGAFQWSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)cc([N+](=O)[O-])c1 ZINC000903129685 621263469 /nfs/dbraw/zinc/26/34/69/621263469.db2.gz IADIFPFKQXKYAQ-NXEZZACHSA-N 1 0 290.323 2.738 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131472 621263935 /nfs/dbraw/zinc/26/39/35/621263935.db2.gz SPMMVFVGKSERKO-NTZNESFSSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903196026 621281744 /nfs/dbraw/zinc/28/17/44/621281744.db2.gz FNYFJQHGDFIREI-ZYHUDNBSSA-N 1 0 294.351 2.822 20 5 CFBDRO C[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903244776 621295693 /nfs/dbraw/zinc/29/56/93/621295693.db2.gz DDUOWQSSJJNWSN-JHJVBQTASA-N 1 0 292.379 2.959 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000903245462 621296520 /nfs/dbraw/zinc/29/65/20/621296520.db2.gz MHPRUPRZBRZAPN-VXGBXAGGSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000903246201 621297684 /nfs/dbraw/zinc/29/76/84/621297684.db2.gz SENRUZUMDRCUKF-NWDGAFQWSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903258658 621301845 /nfs/dbraw/zinc/30/18/45/621301845.db2.gz FLLHNPYDEKUNJV-LBPRGKRZSA-N 1 0 290.363 2.941 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903259173 621302283 /nfs/dbraw/zinc/30/22/83/621302283.db2.gz DBBGLDUBMLDRKF-FMKPAKJESA-N 1 0 288.347 2.739 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000903300309 621315261 /nfs/dbraw/zinc/31/52/61/621315261.db2.gz GTOLMVVRTXCCKB-SCRDCRAPSA-N 1 0 277.368 2.646 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000903300310 621315298 /nfs/dbraw/zinc/31/52/98/621315298.db2.gz GTOLMVVRTXCCKB-SGMGOOAPSA-N 1 0 277.368 2.646 20 5 CFBDRO C[C@@H]1C[NH2+]C[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903430177 621372271 /nfs/dbraw/zinc/37/22/71/621372271.db2.gz PVBRVDNASOQCAM-PWSUYJOCSA-N 1 0 297.786 2.536 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000903438651 621375230 /nfs/dbraw/zinc/37/52/30/621375230.db2.gz WJNUTJPKQZKIAW-NILFDRSVSA-N 1 0 290.363 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@]12CC[NH2+]C2 ZINC000903865910 621453772 /nfs/dbraw/zinc/45/37/72/621453772.db2.gz FHZRLOSEBCCRJN-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903853826 621456452 /nfs/dbraw/zinc/45/64/52/621456452.db2.gz HBBDUODISZRPOW-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO CCC1([NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000903947456 621484925 /nfs/dbraw/zinc/48/49/25/621484925.db2.gz VGQXPLBROKJNLH-UHFFFAOYSA-N 1 0 297.786 2.952 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000905143798 621709744 /nfs/dbraw/zinc/70/97/44/621709744.db2.gz CYOGKFASHARPHB-UHFFFAOYSA-N 1 0 277.151 2.792 20 5 CFBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905199936 621722249 /nfs/dbraw/zinc/72/22/49/621722249.db2.gz DDXAKQGOTFMZOG-VIFPVBQESA-N 1 0 276.258 2.503 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000905611555 621804530 /nfs/dbraw/zinc/80/45/30/621804530.db2.gz XCFOIBAONFUZDZ-SCDSUCTJSA-N 1 0 296.392 2.502 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000905663223 621811567 /nfs/dbraw/zinc/81/15/67/621811567.db2.gz CMIRDYDVOFKXLK-GJZGRUSLSA-N 1 0 262.353 2.969 20 5 CFBDRO C[C@@H](OC(=O)CC[NH2+]C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000906117691 621933211 /nfs/dbraw/zinc/93/32/11/621933211.db2.gz CZESVVDLPNKTQS-LLVKDONJSA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183894154 625555337 /nfs/dbraw/zinc/55/53/37/625555337.db2.gz UYTLXCHSUBPHNR-CQSZACIVSA-N 1 0 294.351 2.789 20 5 CFBDRO Cc1ccc(N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000820581307 622707409 /nfs/dbraw/zinc/70/74/09/622707409.db2.gz PNMSOTZVUCJHRB-UHFFFAOYSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000222948461 622976876 /nfs/dbraw/zinc/97/68/76/622976876.db2.gz DBEXKIKWWYEZBA-OCCSQVGLSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1nn(C[NH+]2CCCCCCC2)c(C)c1[N+](=O)[O-] ZINC000058591725 623053491 /nfs/dbraw/zinc/05/34/91/623053491.db2.gz NZMKZLAPNKVTNB-UHFFFAOYSA-N 1 0 266.345 2.632 20 5 CFBDRO COC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000227325637 623105740 /nfs/dbraw/zinc/10/57/40/623105740.db2.gz YPFQIFNIJUQFLU-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000822808467 623179419 /nfs/dbraw/zinc/17/94/19/623179419.db2.gz UTHCPJFHCRALNH-LBPRGKRZSA-N 1 0 288.307 2.768 20 5 CFBDRO CCCC[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351025 623266068 /nfs/dbraw/zinc/26/60/68/623266068.db2.gz MINPHNNXSUWXNP-AWEZNQCLSA-N 1 0 266.341 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000230669563 623289470 /nfs/dbraw/zinc/28/94/70/623289470.db2.gz NWAYSAORBFTGTP-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197514 623332853 /nfs/dbraw/zinc/33/28/53/623332853.db2.gz NGLYCFYUARKIQX-CYBMUJFWSA-N 1 0 295.408 2.620 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000823509915 623337957 /nfs/dbraw/zinc/33/79/57/623337957.db2.gz UDRHIKJBLYCXFM-LALPHHSUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000925382628 623512613 /nfs/dbraw/zinc/51/26/13/623512613.db2.gz LYDYSLQJRMKCSJ-SNVBAGLBSA-N 1 0 284.743 2.723 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824626146 623534360 /nfs/dbraw/zinc/53/43/60/623534360.db2.gz VPYUSSSGUFGZOR-GFCCVEGCSA-N 1 0 284.743 2.905 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825091158 623627328 /nfs/dbraw/zinc/62/73/28/623627328.db2.gz VIDPPQFTIZMFIC-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825339000 623677015 /nfs/dbraw/zinc/67/70/15/623677015.db2.gz XXZYSCYDQOGMAE-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000929820308 623822172 /nfs/dbraw/zinc/82/21/72/623822172.db2.gz HNPTUXXVLWARMI-JKSUJKDBSA-N 1 0 292.379 2.631 20 5 CFBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000153275001 623912680 /nfs/dbraw/zinc/91/26/80/623912680.db2.gz ZZAGAEOOZXQGBD-GFCCVEGCSA-N 1 0 280.372 2.897 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000915208017 623998351 /nfs/dbraw/zinc/99/83/51/623998351.db2.gz BKKYWBVHVMKFEI-LLVKDONJSA-N 1 0 276.340 2.878 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC[C@@H]1CCOC1)C2 ZINC000828100058 624173241 /nfs/dbraw/zinc/17/32/41/624173241.db2.gz XKVKWMIJPPZGBV-CYBMUJFWSA-N 1 0 290.363 2.770 20 5 CFBDRO CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916622604 624265856 /nfs/dbraw/zinc/26/58/56/624265856.db2.gz BUCFBMBVVKDDRY-UHFFFAOYSA-N 1 0 285.731 2.529 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000831964938 625195708 /nfs/dbraw/zinc/19/57/08/625195708.db2.gz KJELSAZWIOGISR-AWEZNQCLSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906105 625918120 /nfs/dbraw/zinc/91/81/20/625918120.db2.gz WAFVATOVFCXELB-RYUDHWBXSA-N 1 0 293.367 2.644 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000834905973 625918434 /nfs/dbraw/zinc/91/84/34/625918434.db2.gz XBRZRXTZDAUMPO-YHAQOWFVSA-N 1 0 293.367 2.641 20 5 CFBDRO CC(C)(C)C1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000840765525 625918906 /nfs/dbraw/zinc/91/89/06/625918906.db2.gz WKFPHTSGEYCWMO-AWEZNQCLSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000922812195 626368214 /nfs/dbraw/zinc/36/82/14/626368214.db2.gz PFFQKJLHTXVUAD-AWEZNQCLSA-N 1 0 264.325 2.644 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000922892165 626413891 /nfs/dbraw/zinc/41/38/91/626413891.db2.gz NUUSATRUMMNJEH-HOCLYGCPSA-N 1 0 290.363 2.890 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)O1 ZINC000851735929 634501321 /nfs/dbraw/zinc/50/13/21/634501321.db2.gz LAWOLAXDJRPYPR-CQSZACIVSA-N 1 0 292.335 2.511 20 5 CFBDRO Cc1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923530653 626478810 /nfs/dbraw/zinc/47/88/10/626478810.db2.gz LQUDOASZQZPLRH-INIZCTEOSA-N 1 0 289.379 2.621 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000839681123 626552200 /nfs/dbraw/zinc/55/22/00/626552200.db2.gz PRAPFYAEZMXEQL-GDBMZVCRSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC3(C2)CCCCC3)cc1 ZINC000759063634 626626384 /nfs/dbraw/zinc/62/63/84/626626384.db2.gz VQHATJBRGLCUEG-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763672808 627004228 /nfs/dbraw/zinc/00/42/28/627004228.db2.gz CIBDVBXDRSRNAF-SKDRFNHKSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOC(F)F)C2CC2)c1 ZINC000851816292 634546059 /nfs/dbraw/zinc/54/60/59/634546059.db2.gz GDWQCLKCYIBVOO-UHFFFAOYSA-N 1 0 286.278 2.798 20 5 CFBDRO Cc1nn(C[N@@H+](C)CC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764929821 627107115 /nfs/dbraw/zinc/10/71/15/627107115.db2.gz LLKKFNZHLWLVSS-UHFFFAOYSA-N 1 0 276.340 2.798 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026011 627114173 /nfs/dbraw/zinc/11/41/73/627114173.db2.gz BXDCIBWTTWGBPE-QWRGUYRKSA-N 1 0 288.351 2.941 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766252499 627187941 /nfs/dbraw/zinc/18/79/41/627187941.db2.gz GEXXDDUWDHTNFV-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000771916786 627647019 /nfs/dbraw/zinc/64/70/19/627647019.db2.gz GRBXQJBPSQZKMW-VIFPVBQESA-N 1 0 284.747 2.539 20 5 CFBDRO CC[NH+](CC)CCOC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000772180829 627682703 /nfs/dbraw/zinc/68/27/03/627682703.db2.gz FHWGMNWKNUOFSK-UHFFFAOYSA-N 1 0 298.314 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CCO)C1CC1)CCC2 ZINC000774252283 627908857 /nfs/dbraw/zinc/90/88/57/627908857.db2.gz KUQRSJDEGGJQLM-JKSUJKDBSA-N 1 0 290.363 2.723 20 5 CFBDRO C[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272801 628125001 /nfs/dbraw/zinc/12/50/01/628125001.db2.gz WSUZFHORVRAXDN-CQSZACIVSA-N 1 0 292.360 2.822 20 5 CFBDRO C[N@@H+](Cc1cccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272800 628125158 /nfs/dbraw/zinc/12/51/58/628125158.db2.gz WSUZFHORVRAXDN-AWEZNQCLSA-N 1 0 292.360 2.822 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)n1 ZINC000852037880 634633436 /nfs/dbraw/zinc/63/34/36/634633436.db2.gz COWZVDDJJZLJBA-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO CC[N@@H+](Cc1ccoc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581315 628160232 /nfs/dbraw/zinc/16/02/32/628160232.db2.gz GUXDWUSQJOIAJK-HNNXBMFYSA-N 1 0 290.319 2.743 20 5 CFBDRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580602 628160613 /nfs/dbraw/zinc/16/06/13/628160613.db2.gz WVXBYBAHNOWVII-WFASDCNBSA-N 1 0 278.352 2.750 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000776581547 628160852 /nfs/dbraw/zinc/16/08/52/628160852.db2.gz JTDAZXNHLXBJCA-ZDUSSCGKSA-N 1 0 266.341 2.606 20 5 CFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584349 628161360 /nfs/dbraw/zinc/16/13/60/628161360.db2.gz MTBZRZAWYPHFMB-DOMZBBRYSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H](C1CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000777401237 628222148 /nfs/dbraw/zinc/22/21/48/628222148.db2.gz MOCMOKPIVSZKRR-LBPRGKRZSA-N 1 0 275.352 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCCCC3)c2)c1 ZINC000777950866 628266941 /nfs/dbraw/zinc/26/69/41/628266941.db2.gz KIWQAZWNCKOLBY-UHFFFAOYSA-N 1 0 286.335 2.902 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000780569729 628478110 /nfs/dbraw/zinc/47/81/10/628478110.db2.gz HBDWTFNLOSYNJJ-CQSZACIVSA-N 1 0 292.335 2.776 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781980250 628594488 /nfs/dbraw/zinc/59/44/88/628594488.db2.gz FFQHFJLIVAFYIU-GDBMZVCRSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000783639074 628729591 /nfs/dbraw/zinc/72/95/91/628729591.db2.gz YBKPUXZSFIOHQA-ZYHUDNBSSA-N 1 0 297.786 2.821 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCC2)cc1Cl ZINC000783676461 628733373 /nfs/dbraw/zinc/73/33/73/628733373.db2.gz JUXHIFZUDOWHAA-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783678934 628733876 /nfs/dbraw/zinc/73/38/76/628733876.db2.gz BLHJWSOBUJBUNC-ZDUSSCGKSA-N 1 0 284.743 2.595 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783732748 628738701 /nfs/dbraw/zinc/73/87/01/628738701.db2.gz FEJZSVWNXSRPEP-CJNGLKHVSA-N 1 0 290.363 2.532 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783732751 628738781 /nfs/dbraw/zinc/73/87/81/628738781.db2.gz FEJZSVWNXSRPEP-XJKSGUPXSA-N 1 0 290.363 2.532 20 5 CFBDRO Cc1ccc([C@@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000784025846 628765675 /nfs/dbraw/zinc/76/56/75/628765675.db2.gz PWXUYIGWFRLOIO-CQSZACIVSA-N 1 0 286.335 2.547 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000784384748 628812844 /nfs/dbraw/zinc/81/28/44/628812844.db2.gz DTISXGDEUGOJEM-BBRMVZONSA-N 1 0 290.363 2.916 20 5 CFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000787736197 629030700 /nfs/dbraw/zinc/03/07/00/629030700.db2.gz JHLOJFICURCUCY-QMMMGPOBSA-N 1 0 278.230 2.513 20 5 CFBDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000788556559 629081904 /nfs/dbraw/zinc/08/19/04/629081904.db2.gz HJTKSJFBKFDOGU-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO C[C@H]([NH2+]CCOC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788573670 629082879 /nfs/dbraw/zinc/08/28/79/629082879.db2.gz QDQLMUGWDYDQEJ-NSHDSACASA-N 1 0 293.367 2.787 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000788800998 629101110 /nfs/dbraw/zinc/10/11/10/629101110.db2.gz XIIIWVDIJRCPPC-NSHDSACASA-N 1 0 287.319 2.589 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccnc1F ZINC000793284855 629520442 /nfs/dbraw/zinc/52/04/42/629520442.db2.gz KPKKYKBBSULLME-ZZXKWVIFSA-N 1 0 287.294 2.932 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccnc1F ZINC000793284852 629520510 /nfs/dbraw/zinc/52/05/10/629520510.db2.gz KPKKYKBBSULLME-UTCJRWHESA-N 1 0 287.294 2.932 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CCO ZINC000852461035 634750230 /nfs/dbraw/zinc/75/02/30/634750230.db2.gz FMZRVAJPEMXSTR-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852670013 634802190 /nfs/dbraw/zinc/80/21/90/634802190.db2.gz USEDYPASADVISW-ZYHUDNBSSA-N 1 0 296.754 2.717 20 5 CFBDRO C[NH+](C)C1(CNc2cc(N)ccc2[N+](=O)[O-])CCCCC1 ZINC000800845446 630410553 /nfs/dbraw/zinc/41/05/53/630410553.db2.gz TVTZOIHHMIICFC-UHFFFAOYSA-N 1 0 292.383 2.853 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCCC1 ZINC000804351682 630675356 /nfs/dbraw/zinc/67/53/56/630675356.db2.gz AZJHJVSBJQSDJL-UHFFFAOYSA-N 1 0 291.351 2.695 20 5 CFBDRO Cc1c(-c2nc([C@H]([NH3+])C(C)C)no2)cccc1[N+](=O)[O-] ZINC000041123487 649989067 /nfs/dbraw/zinc/98/90/67/649989067.db2.gz JOEWSIOOLOCQRF-LLVKDONJSA-N 1 0 276.296 2.609 20 5 CFBDRO CC[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807917881 630922842 /nfs/dbraw/zinc/92/28/42/630922842.db2.gz BJSWHCPNGFQRQO-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000840977663 631292915 /nfs/dbraw/zinc/29/29/15/631292915.db2.gz IXIKXTOFWUMYML-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000841101711 631339264 /nfs/dbraw/zinc/33/92/64/631339264.db2.gz ZKKSNCWHUMHMNV-CMPLNLGQSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000841100161 631340064 /nfs/dbraw/zinc/34/00/64/631340064.db2.gz VZRITOOYAVLVRL-JQWIXIFHSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000841890239 631488760 /nfs/dbraw/zinc/48/87/60/631488760.db2.gz LSZDSRHZRJDASK-GMTAPVOTSA-N 1 0 293.323 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1Cl ZINC000811518741 631576046 /nfs/dbraw/zinc/57/60/46/631576046.db2.gz PNPLAPWVSBVXRO-ZDUSSCGKSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[N@H+](CCSC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000842643501 631666342 /nfs/dbraw/zinc/66/63/42/631666342.db2.gz DAOMWFSIVYDMJA-UHFFFAOYSA-N 1 0 294.380 2.587 20 5 CFBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635232 631688389 /nfs/dbraw/zinc/68/83/89/631688389.db2.gz LAQSRGGXLBWQQO-OCCSQVGLSA-N 1 0 292.383 2.897 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCCC[NH3+] ZINC000843039435 631809561 /nfs/dbraw/zinc/80/95/61/631809561.db2.gz NOLZQSPKNJBPBD-UHFFFAOYSA-N 1 0 294.355 2.544 20 5 CFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000843054142 631817407 /nfs/dbraw/zinc/81/74/07/631817407.db2.gz ZDSGJIZKGYSYEO-QMTHXVAHSA-N 1 0 297.786 2.807 20 5 CFBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843058429 631821865 /nfs/dbraw/zinc/82/18/65/631821865.db2.gz SOEAVFXTYLLHRM-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO CC(C)[C@@H]([NH3+])c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000843146948 631858873 /nfs/dbraw/zinc/85/88/73/631858873.db2.gz VPNCJCSMHDMMOD-DMTLFAOVSA-N 1 0 288.307 2.804 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844374577 632184327 /nfs/dbraw/zinc/18/43/27/632184327.db2.gz IAUNQNZOLXNUEC-ZWNOBZJWSA-N 1 0 284.331 2.621 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000844416623 632201147 /nfs/dbraw/zinc/20/11/47/632201147.db2.gz CAZQYNCDDPJFIN-UHFFFAOYSA-N 1 0 291.307 2.925 20 5 CFBDRO Cc1occc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568750 632290380 /nfs/dbraw/zinc/29/03/80/632290380.db2.gz SMZADBHDSVARNZ-VIFPVBQESA-N 1 0 275.308 2.929 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105908917 632435291 /nfs/dbraw/zinc/43/52/91/632435291.db2.gz BBWHMKFYXUYAOH-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845739788 632546334 /nfs/dbraw/zinc/54/63/34/632546334.db2.gz KDHDTYJARJHHRC-ZDUSSCGKSA-N 1 0 292.335 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1F ZINC000817296380 632597889 /nfs/dbraw/zinc/59/78/89/632597889.db2.gz HKBRHLYSKSWBBV-LBPRGKRZSA-N 1 0 296.342 2.718 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000817587401 632671485 /nfs/dbraw/zinc/67/14/85/632671485.db2.gz WFFHRXWJMQSNDK-KGYLQXTDSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906724 632727944 /nfs/dbraw/zinc/72/79/44/632727944.db2.gz DFXFJYGZDKXFRD-HZMBPMFUSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846698178 632777762 /nfs/dbraw/zinc/77/77/62/632777762.db2.gz BCGBECASJLOIOS-KOLCDFICSA-N 1 0 283.759 2.560 20 5 CFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846703906 632778393 /nfs/dbraw/zinc/77/83/93/632778393.db2.gz RIFGUHWFARFYJH-GXSJLCMTSA-N 1 0 283.759 2.560 20 5 CFBDRO C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000846892954 632836010 /nfs/dbraw/zinc/83/60/10/632836010.db2.gz SXGNHUKOFBKWBC-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCS1 ZINC000819152854 632987100 /nfs/dbraw/zinc/98/71/00/632987100.db2.gz CXXKHRZBZBRCBO-ZIAGYGMSSA-N 1 0 296.392 2.504 20 5 CFBDRO C[C@H](COC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847958251 633164953 /nfs/dbraw/zinc/16/49/53/633164953.db2.gz GHWBFLAIMVTTQA-GFCCVEGCSA-N 1 0 292.335 2.626 20 5 CFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000857226342 635952957 /nfs/dbraw/zinc/95/29/57/635952957.db2.gz LBYOMGIVDZNIHL-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000849349870 633625497 /nfs/dbraw/zinc/62/54/97/633625497.db2.gz MLNDLORPVFPKOV-UHFFFAOYSA-N 1 0 283.759 2.609 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000850429198 633989556 /nfs/dbraw/zinc/98/95/56/633989556.db2.gz AKOKUYBXYWQADC-DGCLKSJQSA-N 1 0 296.367 2.661 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850569890 634056294 /nfs/dbraw/zinc/05/62/94/634056294.db2.gz COJRSDCZCANQNE-PWSUYJOCSA-N 1 0 293.367 2.643 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000111165622 634936572 /nfs/dbraw/zinc/93/65/72/634936572.db2.gz KSGIZDRJHBFMBQ-NSHDSACASA-N 1 0 276.340 2.880 20 5 CFBDRO CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000853247539 634950240 /nfs/dbraw/zinc/95/02/40/634950240.db2.gz SWPGWVVDGQWMMK-GFCCVEGCSA-N 1 0 285.775 2.711 20 5 CFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000857086131 635927870 /nfs/dbraw/zinc/92/78/70/635927870.db2.gz JAXPKHDYYZKALI-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccsc2)cc1 ZINC000158631232 650232497 /nfs/dbraw/zinc/23/24/97/650232497.db2.gz RBKMJXVHUUZKSO-CQSZACIVSA-N 1 0 292.360 2.522 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000047540441 650236998 /nfs/dbraw/zinc/23/69/98/650236998.db2.gz TYJSLLGOIYPIOQ-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@H](NCc1cc(Cl)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000859230923 636517097 /nfs/dbraw/zinc/51/70/97/636517097.db2.gz NXHIMORFTIDHFU-VIFPVBQESA-N 1 0 294.742 2.833 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000860072035 636778264 /nfs/dbraw/zinc/77/82/64/636778264.db2.gz CHEAJHNYUZFHEZ-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO C[C@H]([NH3+])CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000863654082 637727514 /nfs/dbraw/zinc/72/75/14/637727514.db2.gz UBPYCCFBDCMHGG-NSHDSACASA-N 1 0 289.335 2.634 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000865734789 638543618 /nfs/dbraw/zinc/54/36/18/638543618.db2.gz ORGJGUCAUCZVTL-XYPYZODXSA-N 1 0 252.339 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000865787315 638574235 /nfs/dbraw/zinc/57/42/35/638574235.db2.gz LIONFGQXSCOCSP-HOCLYGCPSA-N 1 0 290.363 2.747 20 5 CFBDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000865807519 638584940 /nfs/dbraw/zinc/58/49/40/638584940.db2.gz TVGOQUFBGBMPCN-QGZVFWFLSA-N 1 0 297.358 2.871 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000865871591 638629035 /nfs/dbraw/zinc/62/90/35/638629035.db2.gz DHZNBWMTHKQCCX-SKVWCYETSA-N 1 0 278.352 2.747 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000866148417 638758632 /nfs/dbraw/zinc/75/86/32/638758632.db2.gz AEUNABAXIZJZAO-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC1 ZINC000866294734 638790894 /nfs/dbraw/zinc/79/08/94/638790894.db2.gz VORDYYUULQXWTQ-SECBINFHSA-N 1 0 252.289 2.807 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866312990 638795748 /nfs/dbraw/zinc/79/57/48/638795748.db2.gz TWBICZRXGYZSGN-RYUDHWBXSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000866354794 638803112 /nfs/dbraw/zinc/80/31/12/638803112.db2.gz OBEQDVLRWWNBTH-LLVKDONJSA-N 1 0 296.342 2.560 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866361621 638803799 /nfs/dbraw/zinc/80/37/99/638803799.db2.gz QVRFXVPEMBYPJF-GWCFXTLKSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866365162 638804993 /nfs/dbraw/zinc/80/49/93/638804993.db2.gz WOWBZZDAKGIBMT-NEPJUHHUSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000866368911 638807093 /nfs/dbraw/zinc/80/70/93/638807093.db2.gz FYKSVWJRVNUNPC-SUNKGSAMSA-N 1 0 296.342 2.822 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866372698 638808154 /nfs/dbraw/zinc/80/81/54/638808154.db2.gz JFTMWXWYAJWCIC-YVLXSGLVSA-N 1 0 296.342 2.822 20 5 CFBDRO Cc1nn(C[NH+]2CCCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121050661 638818513 /nfs/dbraw/zinc/81/85/13/638818513.db2.gz LSNOFXIKKKGVHD-UHFFFAOYSA-N 1 0 274.324 2.696 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121052389 638819176 /nfs/dbraw/zinc/81/91/76/638819176.db2.gz QJVKRFVPRLTLQU-NSHDSACASA-N 1 0 288.351 2.942 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000866447493 638823817 /nfs/dbraw/zinc/82/38/17/638823817.db2.gz JWUOVFDYIRMERP-FBKDDSFISA-N 1 0 296.342 2.820 20 5 CFBDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc([N+](=O)[O-])cc1 ZINC000866447436 638823863 /nfs/dbraw/zinc/82/38/63/638823863.db2.gz JBXOSFKLATZEEI-QBHINQIDSA-N 1 0 288.347 2.669 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866635351 638858891 /nfs/dbraw/zinc/85/88/91/638858891.db2.gz ZZKJWOSCCOMZNP-MISXGVKJSA-N 1 0 298.358 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000122561829 639216118 /nfs/dbraw/zinc/21/61/18/639216118.db2.gz RDVLPCZSABKMDC-JSGCOSHPSA-N 1 0 280.368 2.961 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033673 641564134 /nfs/dbraw/zinc/56/41/34/641564134.db2.gz DIOZDORZNGPQCE-YGRLFVJLSA-N 1 0 284.331 2.936 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000872033941 641565012 /nfs/dbraw/zinc/56/50/12/641565012.db2.gz KLPSPVTVKFZZNM-MNOVXSKESA-N 1 0 297.424 2.917 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034678 641565394 /nfs/dbraw/zinc/56/53/94/641565394.db2.gz ILCSGFYJJIVJCG-YGRLFVJLSA-N 1 0 284.331 2.792 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCO ZINC000872039592 641574091 /nfs/dbraw/zinc/57/40/91/641574091.db2.gz TZYFUCOQPALZEX-UWVGGRQHSA-N 1 0 284.381 2.738 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)CO ZINC000872050853 641584858 /nfs/dbraw/zinc/58/48/58/641584858.db2.gz CXIXOPZBZPWPME-JTQLQIEISA-N 1 0 298.408 2.986 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052352 641586196 /nfs/dbraw/zinc/58/61/96/641586196.db2.gz CMIORZOMMYMIAZ-WDEREUQCSA-N 1 0 282.315 2.954 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072403 641603555 /nfs/dbraw/zinc/60/35/55/641603555.db2.gz FJXYXZZPGHSILN-KXUCPTDWSA-N 1 0 270.304 2.808 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])COC1 ZINC000872077151 641609059 /nfs/dbraw/zinc/60/90/59/641609059.db2.gz ZXRLTQZRJAOWFK-JTQLQIEISA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085468 641619187 /nfs/dbraw/zinc/61/91/87/641619187.db2.gz NURQBGILBMHWNQ-JQWIXIFHSA-N 1 0 296.342 2.793 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091480 641624344 /nfs/dbraw/zinc/62/43/44/641624344.db2.gz IIPXNRGFKJVMFH-BFLSOPEQSA-N 1 0 282.315 2.950 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091486 641624775 /nfs/dbraw/zinc/62/47/75/641624775.db2.gz IIPXNRGFKJVMFH-WDCWCFNPSA-N 1 0 282.315 2.950 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094065 641625301 /nfs/dbraw/zinc/62/53/01/641625301.db2.gz YQDDVRMNOLWOBD-MNOVXSKESA-N 1 0 284.331 2.936 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153449 641674659 /nfs/dbraw/zinc/67/46/59/641674659.db2.gz AMOUZIPBGARGHJ-DVOMOZLQSA-N 1 0 289.379 2.506 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cccnc1 ZINC000873010094 641983554 /nfs/dbraw/zinc/98/35/54/641983554.db2.gz GQSZNOWYFBTHEJ-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO Cc1c(C[NH2+]CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000873035336 641990864 /nfs/dbraw/zinc/99/08/64/641990864.db2.gz JORAVLOUOAUMHX-UHFFFAOYSA-N 1 0 286.331 2.941 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CC[C@H](C)C1 ZINC000873066864 642002006 /nfs/dbraw/zinc/00/20/06/642002006.db2.gz JDTJIRQGPWOHBM-LBPRGKRZSA-N 1 0 291.395 2.643 20 5 CFBDRO CO[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC000873065620 642002168 /nfs/dbraw/zinc/00/21/68/642002168.db2.gz HAPZCKAALKDSSP-OAHLLOKOSA-N 1 0 280.368 2.972 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccncc1 ZINC000873077012 642006325 /nfs/dbraw/zinc/00/63/25/642006325.db2.gz HMTTVWLEULTULL-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCOC1 ZINC000873105071 642013526 /nfs/dbraw/zinc/01/35/26/642013526.db2.gz VHUZFLVFRPYECU-CYBMUJFWSA-N 1 0 278.352 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](C)CCO ZINC000873129129 642020609 /nfs/dbraw/zinc/02/06/09/642020609.db2.gz JDFCEMLAZOSMCN-NSHDSACASA-N 1 0 280.368 2.710 20 5 CFBDRO CC[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873127007 642020995 /nfs/dbraw/zinc/02/09/95/642020995.db2.gz GGBRQRCQXIYCBI-LBPRGKRZSA-N 1 0 266.341 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000873130264 642022018 /nfs/dbraw/zinc/02/20/18/642022018.db2.gz CLHZYUYULNQDRZ-AAEUAGOBSA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000873130267 642022194 /nfs/dbraw/zinc/02/21/94/642022194.db2.gz CLHZYUYULNQDRZ-YPMHNXCESA-N 1 0 278.352 2.869 20 5 CFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124565074 642251121 /nfs/dbraw/zinc/25/11/21/642251121.db2.gz FATHWDXQEJXDQD-JOYOIKCWSA-N 1 0 283.759 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H]1CCOC1 ZINC000876789117 643008473 /nfs/dbraw/zinc/00/84/73/643008473.db2.gz RHUQQHNMXYWEEC-ZDUSSCGKSA-N 1 0 278.352 2.680 20 5 CFBDRO CC(C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876915557 643062994 /nfs/dbraw/zinc/06/29/94/643062994.db2.gz UXJASVRJLYQOQS-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO CCSCC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877064108 643129696 /nfs/dbraw/zinc/12/96/96/643129696.db2.gz NCOCQGHCDFEXLG-VOMCLLRMSA-N 1 0 298.412 2.616 20 5 CFBDRO CC[C@H](C)C[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877067464 643132336 /nfs/dbraw/zinc/13/23/36/643132336.db2.gz HWGLQICETGOATL-ZSVAQUKISA-N 1 0 280.372 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000877169902 643186231 /nfs/dbraw/zinc/18/62/31/643186231.db2.gz HGTHNWIZGCSHQK-KBPBESRZSA-N 1 0 292.379 2.804 20 5 CFBDRO C[C@H]1CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877492138 643305614 /nfs/dbraw/zinc/30/56/14/643305614.db2.gz SKUMYVSVAHPKEJ-ZSVAQUKISA-N 1 0 278.356 2.521 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877492135 643305801 /nfs/dbraw/zinc/30/58/01/643305801.db2.gz SKUMYVSVAHPKEJ-IALDZJHCSA-N 1 0 278.356 2.521 20 5 CFBDRO C[C@H]1CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877492137 643306387 /nfs/dbraw/zinc/30/63/87/643306387.db2.gz SKUMYVSVAHPKEJ-ZFDZMSFRSA-N 1 0 278.356 2.521 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877524339 643328312 /nfs/dbraw/zinc/32/83/12/643328312.db2.gz VNELLILWUCENTJ-NSHDSACASA-N 1 0 266.341 2.678 20 5 CFBDRO C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000245766745 650833765 /nfs/dbraw/zinc/83/37/65/650833765.db2.gz RJQRLHDIPGELKZ-NWDGAFQWSA-N 1 0 288.351 2.880 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000877628023 643412453 /nfs/dbraw/zinc/41/24/53/643412453.db2.gz ADFAPDILNOCIQK-DLBZAZTESA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCC3CCC3)C2)c1 ZINC000877630759 643415013 /nfs/dbraw/zinc/41/50/13/643415013.db2.gz MBZKKHBUHXZYRH-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CSC1 ZINC000877634045 643417468 /nfs/dbraw/zinc/41/74/68/643417468.db2.gz DANXJTAQEUAGJZ-BJMVGYQFSA-N 1 0 264.350 2.703 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000877640553 643425721 /nfs/dbraw/zinc/42/57/21/643425721.db2.gz OVQDSRQWFPGYHJ-LRDDRELGSA-N 1 0 292.379 2.662 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000877719020 643482132 /nfs/dbraw/zinc/48/21/32/643482132.db2.gz CUMBIMIAALNSKC-OKILXGFUSA-N 1 0 258.321 2.993 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cs1 ZINC000877736898 643496641 /nfs/dbraw/zinc/49/66/41/643496641.db2.gz BSOGBOLQDLJEAM-MNOVXSKESA-N 1 0 284.406 2.841 20 5 CFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126721944 643579850 /nfs/dbraw/zinc/57/98/50/643579850.db2.gz FGGJIPLNYHIBOE-UGFHNGPFSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000877827801 643593494 /nfs/dbraw/zinc/59/34/94/643593494.db2.gz RZSQAWPIKPWDDI-HCKVZZMMSA-N 1 0 276.336 2.813 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000878920788 644076035 /nfs/dbraw/zinc/07/60/35/644076035.db2.gz VZLIXSQIRSDBMR-IUODEOHRSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1noc(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)c1[N+](=O)[O-] ZINC000879265895 644201428 /nfs/dbraw/zinc/20/14/28/644201428.db2.gz LHBWVOBRGWMFCP-GYSYKLTISA-N 1 0 279.340 2.950 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879328180 644234583 /nfs/dbraw/zinc/23/45/83/644234583.db2.gz YJAOIGCJRPZFHN-FZMZJTMJSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@H]1CC[NH2+][C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000127935343 644379253 /nfs/dbraw/zinc/37/92/53/644379253.db2.gz VDTGQQIVCPTYCH-CABZTGNLSA-N 1 0 288.307 2.705 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880139590 644549649 /nfs/dbraw/zinc/54/96/49/644549649.db2.gz ALMMKRWXJBNEGV-WCQYABFASA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880144917 644552828 /nfs/dbraw/zinc/55/28/28/644552828.db2.gz FZSWFVXFBZTLOO-NWDGAFQWSA-N 1 0 278.352 2.749 20 5 CFBDRO COCC1([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880186895 644569088 /nfs/dbraw/zinc/56/90/88/644569088.db2.gz UOFQDWCHPNWJNV-UHFFFAOYSA-N 1 0 278.352 2.638 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880231188 644592656 /nfs/dbraw/zinc/59/26/56/644592656.db2.gz VAPBIOBUZLWBOB-LLVKDONJSA-N 1 0 252.289 2.776 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000094801390 650963964 /nfs/dbraw/zinc/96/39/64/650963964.db2.gz PZZIJOWFYCGEOA-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000882547361 645365592 /nfs/dbraw/zinc/36/55/92/645365592.db2.gz LLZJHEPMDQMFPH-JQWIXIFHSA-N 1 0 294.330 2.558 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000304069681 651014428 /nfs/dbraw/zinc/01/44/28/651014428.db2.gz VBWFRMOJZITKFE-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO CCN1CC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000882958633 645528716 /nfs/dbraw/zinc/52/87/16/645528716.db2.gz GHQNKMIHVBMBLT-VIFPVBQESA-N 1 0 299.758 2.763 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000883263475 645708426 /nfs/dbraw/zinc/70/84/26/645708426.db2.gz VORLBJAHKWAMMW-NUBFSIKWSA-N 1 0 276.336 2.623 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883272650 645713893 /nfs/dbraw/zinc/71/38/93/645713893.db2.gz RZEZTEKSDSJZOT-DJSGYFEHSA-N 1 0 290.363 2.987 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883273152 645714883 /nfs/dbraw/zinc/71/48/83/645714883.db2.gz FJPSPWKVNIMGHY-MJVIPROJSA-N 1 0 276.336 2.597 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000883273499 645715354 /nfs/dbraw/zinc/71/53/54/645715354.db2.gz MHAIOSAITHKKSH-JTNHKYCSSA-N 1 0 296.342 2.680 20 5 CFBDRO CCN1CC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000883359440 645765962 /nfs/dbraw/zinc/76/59/62/645765962.db2.gz GTGMZZZXBFOTJM-WQMJKPAKSA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000883446954 645836266 /nfs/dbraw/zinc/83/62/66/645836266.db2.gz PJEVDODSWZMZNV-SUNKGSAMSA-N 1 0 295.358 2.682 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1(C[NH3+])CCCCC1 ZINC000883454231 645841556 /nfs/dbraw/zinc/84/15/56/645841556.db2.gz UMVYGVIGUKGYCD-UHFFFAOYSA-N 1 0 295.358 2.827 20 5 CFBDRO Cc1c(CN2CC[NH2+]CCC23CCC3)cccc1[N+](=O)[O-] ZINC000883458671 645842567 /nfs/dbraw/zinc/84/25/67/645842567.db2.gz SNRAVOQCMQXRSH-UHFFFAOYSA-N 1 0 289.379 2.621 20 5 CFBDRO C[C@H](CCNc1ncc([N+](=O)[O-])c2ccccc21)[NH+](C)C ZINC000884555355 646446815 /nfs/dbraw/zinc/44/68/15/646446815.db2.gz POEXMRHENXDARX-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc([N+](=O)[O-])c1 ZINC000137135072 646872028 /nfs/dbraw/zinc/87/20/28/646872028.db2.gz OUUDIMSSVJJCQO-NSHDSACASA-N 1 0 276.296 2.609 20 5 CFBDRO Cc1cc(-c2nc([C@H]([NH3+])C(C)C)no2)cc([N+](=O)[O-])c1 ZINC000137135034 646872139 /nfs/dbraw/zinc/87/21/39/646872139.db2.gz OUUDIMSSVJJCQO-LLVKDONJSA-N 1 0 276.296 2.609 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000886280420 646949484 /nfs/dbraw/zinc/94/94/84/646949484.db2.gz DQZOBVBNSVVYIF-NSHDSACASA-N 1 0 267.304 2.561 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886572004 647050712 /nfs/dbraw/zinc/05/07/12/647050712.db2.gz RUASIEFLCYEBEM-PHIMTYICSA-N 1 0 282.340 2.529 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886575241 647051611 /nfs/dbraw/zinc/05/16/11/647051611.db2.gz KZJPOAUJUNTUCE-KOZAUXTDSA-N 1 0 290.363 2.667 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815671 647149450 /nfs/dbraw/zinc/14/94/50/647149450.db2.gz HXYBGIMZOHXOSN-HOCLYGCPSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000886834731 647156418 /nfs/dbraw/zinc/15/64/18/647156418.db2.gz CCKKFKHYUUGWIM-GDBMZVCRSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832548 647156589 /nfs/dbraw/zinc/15/65/89/647156589.db2.gz JQLKHUXVQLHMMB-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO Cc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C)cn1 ZINC000889793066 647671306 /nfs/dbraw/zinc/67/13/06/647671306.db2.gz XVKHUXUVCWYOBV-UHFFFAOYSA-N 1 0 299.330 2.898 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)C2(Cl)CC2)cc1[N+](=O)[O-] ZINC000924842211 648057227 /nfs/dbraw/zinc/05/72/27/648057227.db2.gz PGSVOPPXVDKXKF-VIFPVBQESA-N 1 0 284.743 2.853 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000925640493 648257287 /nfs/dbraw/zinc/25/72/87/648257287.db2.gz IFGBHFGGBYOZPH-NSHDSACASA-N 1 0 287.319 2.589 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927022070 648685944 /nfs/dbraw/zinc/68/59/44/648685944.db2.gz QEPVULLHYJCUNH-IAQYHMDHSA-N 1 0 293.367 2.787 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927020154 648686153 /nfs/dbraw/zinc/68/61/53/648686153.db2.gz HYLKOQTVZKCFJU-BXUZGUMPSA-N 1 0 278.352 2.723 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000927026247 648687227 /nfs/dbraw/zinc/68/72/27/648687227.db2.gz ZVLCSPVTOWPCOL-AAEUAGOBSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1ccc(C[C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929425415 649047701 /nfs/dbraw/zinc/04/77/01/649047701.db2.gz SXZHVWGYUIZVKW-HNNXBMFYSA-N 1 0 262.353 2.526 20 5 CFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000930233638 649211320 /nfs/dbraw/zinc/21/13/20/649211320.db2.gz SNMJEUPZCGWTME-JTQLQIEISA-N 1 0 282.315 2.542 20 5 CFBDRO C[NH+](C)C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000036192024 649519717 /nfs/dbraw/zinc/51/97/17/649519717.db2.gz GZVSEZQXZQASPY-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178394 649559985 /nfs/dbraw/zinc/55/99/85/649559985.db2.gz NGPGGERXTYKHQE-LLVKDONJSA-N 1 0 294.351 2.835 20 5 CFBDRO Cc1cccc(OC[C@H](C)OCCC[N+](C)(C)C)c1 ZINC001224624437 778605328 /nfs/dbraw/zinc/60/53/28/778605328.db2.gz WERWYRMWSIWVTR-HNNXBMFYSA-N 1 0 266.405 2.875 20 5 CFBDRO C[NH2+]Cc1cn(-c2cccc([N+](=O)[O-])n2)c2ccc(C)cc12 ZINC001167120811 770052285 /nfs/dbraw/zinc/05/22/85/770052285.db2.gz BFCMDHVNESINLR-UHFFFAOYSA-N 1 0 296.330 2.962 20 5 CFBDRO C[NH2+]Cc1cn(-c2cc([N+](=O)[O-])ccn2)c2ccc(C)cc12 ZINC001167121442 770054050 /nfs/dbraw/zinc/05/40/50/770054050.db2.gz MNJCSQXONWLIFK-UHFFFAOYSA-N 1 0 296.330 2.962 20 5 CFBDRO C[C@@H](COCc1ccccc1)OCCC[N+](C)(C)C ZINC001224623151 775229628 /nfs/dbraw/zinc/22/96/28/775229628.db2.gz LRUPPILHAHDCKX-HNNXBMFYSA-N 1 0 266.405 2.705 20 5 CFBDRO CC(C)Oc1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001225211765 775368261 /nfs/dbraw/zinc/36/82/61/775368261.db2.gz FGNZGLSXUGWYCH-CYBMUJFWSA-N 1 0 252.378 2.947 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C[C@H]2F)c(Cl)c1 ZINC001217946782 775397478 /nfs/dbraw/zinc/39/74/78/775397478.db2.gz PELUSJDHZGTNFO-ZYHUDNBSSA-N 1 0 288.706 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1Cl ZINC001217980134 775416492 /nfs/dbraw/zinc/41/64/92/775416492.db2.gz KHUUXTUAQLUOPX-ZYHUDNBSSA-N 1 0 288.706 2.717 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1ccno1 ZINC001225362026 775427854 /nfs/dbraw/zinc/42/78/54/775427854.db2.gz XROMAXJTXOTDAB-LBPRGKRZSA-N 1 0 261.345 2.815 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1ccno1 ZINC001225362025 775428319 /nfs/dbraw/zinc/42/83/19/775428319.db2.gz XROMAXJTXOTDAB-GFCCVEGCSA-N 1 0 261.345 2.815 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225382776 775436733 /nfs/dbraw/zinc/43/67/33/775436733.db2.gz RUHKGYGFVUBBKK-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC001218028561 775453470 /nfs/dbraw/zinc/45/34/70/775453470.db2.gz GQWBRZSIQBBWQW-QMTHXVAHSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC[C@@H]1C ZINC001218030733 775454939 /nfs/dbraw/zinc/45/49/39/775454939.db2.gz UROTVRNXSKQUEH-TVQRCGJNSA-N 1 0 282.315 2.809 20 5 CFBDRO COc1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001225440877 775458991 /nfs/dbraw/zinc/45/89/91/775458991.db2.gz JCGKGCQEHGYWEM-ZDUSSCGKSA-N 1 0 294.351 2.855 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218116820 775486922 /nfs/dbraw/zinc/48/69/22/775486922.db2.gz LJMOOMUMKXUEMC-STQMWFEESA-N 1 0 282.727 2.769 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225575377 775508279 /nfs/dbraw/zinc/50/82/79/775508279.db2.gz PECQXBNMDFXVHX-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1cccc(O[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225631048 775533488 /nfs/dbraw/zinc/53/34/88/775533488.db2.gz CKPMAGUCSJRNGV-LBPRGKRZSA-N 1 0 264.325 2.765 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc(C)c2[N+](=O)[O-])C1 ZINC001225636308 775534456 /nfs/dbraw/zinc/53/44/56/775534456.db2.gz WBNNSWIYFMZCLU-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667847 775549522 /nfs/dbraw/zinc/54/95/22/775549522.db2.gz VFAMSRBVKKVDRD-LLVKDONJSA-N 1 0 282.315 2.986 20 5 CFBDRO Cc1c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC001225689596 775559581 /nfs/dbraw/zinc/55/95/81/775559581.db2.gz LDOAXMPXZUZAKP-CLLJXQQHSA-N 1 0 276.336 2.907 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001225712009 775569821 /nfs/dbraw/zinc/56/98/21/775569821.db2.gz BWMDBBPFENUKEH-CYBMUJFWSA-N 1 0 282.727 2.721 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225709917 775569897 /nfs/dbraw/zinc/56/98/97/775569897.db2.gz FFIJGXULBSNXKW-JTQLQIEISA-N 1 0 270.716 2.721 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001225712012 775570205 /nfs/dbraw/zinc/57/02/05/775570205.db2.gz BWMDBBPFENUKEH-ZDUSSCGKSA-N 1 0 282.727 2.721 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1F)C2 ZINC001225793987 775596343 /nfs/dbraw/zinc/59/63/43/775596343.db2.gz GJFDRJGHQHVYQW-URLYPYJESA-N 1 0 280.299 2.738 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225912211 775632395 /nfs/dbraw/zinc/63/23/95/775632395.db2.gz GFOMJBDDSDMPGU-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218400716 775635312 /nfs/dbraw/zinc/63/53/12/775635312.db2.gz XTGBULDPULYDPP-LBPRGKRZSA-N 1 0 282.727 2.769 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225943329 775643966 /nfs/dbraw/zinc/64/39/66/775643966.db2.gz YSGJISMJYYKSEA-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C[C@@H]1C ZINC001218418503 775651714 /nfs/dbraw/zinc/65/17/14/775651714.db2.gz ZXAKCQAVHAPIDL-ZANVPECISA-N 1 0 264.325 2.588 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)ccn1 ZINC001226002917 775664203 /nfs/dbraw/zinc/66/42/03/775664203.db2.gz XIXWSZSHUCLMJE-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO Cc1ccnc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001226120509 775707727 /nfs/dbraw/zinc/70/77/27/775707727.db2.gz USRBSHGAKYHKRD-GFCCVEGCSA-N 1 0 279.340 2.550 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001226255934 775757450 /nfs/dbraw/zinc/75/74/50/775757450.db2.gz QGJYRDIZROIGQM-JZYVYDRUSA-N 1 0 297.742 2.647 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001226288799 775768895 /nfs/dbraw/zinc/76/88/95/775768895.db2.gz RXFVAYBWQMFXNU-NSHDSACASA-N 1 0 294.351 2.907 20 5 CFBDRO COc1ccc2nc(O[C@H](C)C[N+](C)(C)C)sc2c1 ZINC001226645060 775902229 /nfs/dbraw/zinc/90/22/29/775902229.db2.gz JESCTDDTZRRJGS-SNVBAGLBSA-N 1 0 281.401 2.778 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226744864 775945886 /nfs/dbraw/zinc/94/58/86/775945886.db2.gz VGYOLQNIEHLPLO-JTQLQIEISA-N 1 0 286.278 2.736 20 5 CFBDRO Cc1ccc2[nH]c(=O)cc(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001226854167 775991613 /nfs/dbraw/zinc/99/16/13/775991613.db2.gz FUXUAKQUBXTDRO-GFCCVEGCSA-O 1 0 275.372 2.722 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001226964130 776037384 /nfs/dbraw/zinc/03/73/84/776037384.db2.gz MXUKTLGSKORBJL-QMMMGPOBSA-N 1 0 292.257 2.943 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001226995053 776054200 /nfs/dbraw/zinc/05/42/00/776054200.db2.gz KDJNRGODYSGWRK-DABQJJPHSA-N 1 0 276.336 2.907 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001226997693 776054388 /nfs/dbraw/zinc/05/43/88/776054388.db2.gz ZHAHZKDCPQANLX-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1cc(=O)oc2cc(O[C@@H](C)C[N+](C)(C)C)ccc12 ZINC001227542939 776226053 /nfs/dbraw/zinc/22/60/53/776226053.db2.gz OYLGNKPVLZETAD-LBPRGKRZSA-N 1 0 276.356 2.575 20 5 CFBDRO CC[NH+]1CCC(Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228014306 776362801 /nfs/dbraw/zinc/36/28/01/776362801.db2.gz HSSZYQISGICVOQ-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228016292 776364856 /nfs/dbraw/zinc/36/48/56/776364856.db2.gz DBUZJXYJPJKDLE-JTQLQIEISA-N 1 0 299.758 2.895 20 5 CFBDRO CCC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001228453590 776496156 /nfs/dbraw/zinc/49/61/56/776496156.db2.gz ACJOAWMIFJWAIV-LBPRGKRZSA-N 1 0 250.362 2.753 20 5 CFBDRO CC(=O)c1ccc2nc(O[C@@H](C)C[N+](C)(C)C)oc2c1 ZINC001228669074 776560987 /nfs/dbraw/zinc/56/09/87/776560987.db2.gz PJKQMFZFWAWDLM-JTQLQIEISA-N 1 0 277.344 2.504 20 5 CFBDRO CCC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228878123 776643822 /nfs/dbraw/zinc/64/38/22/776643822.db2.gz WKJRGXYLOVXCBC-GFCCVEGCSA-N 1 0 280.388 2.761 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229006390 776687577 /nfs/dbraw/zinc/68/75/77/776687577.db2.gz YEUMVCPGYPJKCW-ZDUSSCGKSA-N 1 0 287.319 2.616 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001229201184 776751528 /nfs/dbraw/zinc/75/15/28/776751528.db2.gz KYTXEWBJXWUDJN-JTQLQIEISA-N 1 0 271.312 2.516 20 5 CFBDRO Cc1ccnc(Br)c1O[C@H](C)C[N+](C)(C)C ZINC001229208900 776752179 /nfs/dbraw/zinc/75/21/79/776752179.db2.gz XUUYXPRDPPQEKP-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO CC(=O)c1cc(C)cc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001229362007 776789164 /nfs/dbraw/zinc/78/91/64/776789164.db2.gz HARUJFJIJQABAD-ZDUSSCGKSA-N 1 0 264.389 2.980 20 5 CFBDRO CCC(=O)c1ccc(OC)cc1O[C@H](C)C[N+](C)(C)C ZINC001229447789 776816395 /nfs/dbraw/zinc/81/63/95/776816395.db2.gz UYVPNGYOTLOVLU-GFCCVEGCSA-N 1 0 280.388 2.761 20 5 CFBDRO CC(C)c1cccc(O[C@H](C)C[N+](C)(C)C)c(=O)c1 ZINC001229635226 776862656 /nfs/dbraw/zinc/86/26/56/776862656.db2.gz UTFUGGGHQHQTAG-CYBMUJFWSA-N 1 0 264.389 2.644 20 5 CFBDRO Cc1cc(Cl)c(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001167916361 776880412 /nfs/dbraw/zinc/88/04/12/776880412.db2.gz SCIFNLHDYMLYMK-UHFFFAOYSA-N 1 0 288.760 2.595 20 5 CFBDRO COC(=O)c1cc(C)c(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001230527689 777004879 /nfs/dbraw/zinc/00/48/79/777004879.db2.gz IAFULIRSGBEADC-ZDUSSCGKSA-N 1 0 280.388 2.564 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc(-c2ccccc2)n1 ZINC001230549884 777009622 /nfs/dbraw/zinc/00/96/22/777009622.db2.gz SRRNJNLQGYEYLB-CYBMUJFWSA-N 1 0 272.372 2.617 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230595938 777022021 /nfs/dbraw/zinc/02/20/21/777022021.db2.gz ODGIKDMKDJHTEV-SNVBAGLBSA-N 1 0 292.339 2.580 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230919129 777092852 /nfs/dbraw/zinc/09/28/52/777092852.db2.gz UFXHATGFABOAIC-SECBINFHSA-N 1 0 270.716 2.721 20 5 CFBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(C)c1C ZINC001230982158 777109538 /nfs/dbraw/zinc/10/95/38/777109538.db2.gz ZLRWHDVIYAXWAH-LLVKDONJSA-N 1 0 280.388 2.564 20 5 CFBDRO Cc1cc(=O)c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2o1 ZINC001231170613 777164248 /nfs/dbraw/zinc/16/42/48/777164248.db2.gz CARBSUOEGPIAGO-LBPRGKRZSA-N 1 0 276.356 2.575 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1OC1CC[NH+](C2CC2)CC1 ZINC001226006821 777375900 /nfs/dbraw/zinc/37/59/00/777375900.db2.gz HQHSLXMBCYNNMX-UHFFFAOYSA-N 1 0 280.299 2.740 20 5 CFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000179088377 777933638 /nfs/dbraw/zinc/93/36/38/777933638.db2.gz XWLUWOPVVZBYNB-ZDUSSCGKSA-N 1 0 284.331 2.573 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)ccc2cccnc21 ZINC001227919839 777959747 /nfs/dbraw/zinc/95/97/47/777959747.db2.gz XURPGPISVVTDPS-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698304 778045016 /nfs/dbraw/zinc/04/50/16/778045016.db2.gz ITEWHKBDJHAFKE-SNVBAGLBSA-N 1 0 286.278 2.735 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233751562 778064660 /nfs/dbraw/zinc/06/46/60/778064660.db2.gz URHTYDHNPNCFTF-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)c(F)c1F ZINC001233764464 778069410 /nfs/dbraw/zinc/06/94/10/778069410.db2.gz FJIDOMKSRQWWRW-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c2cccnc2ccc1[N+](=O)[O-] ZINC001233786771 778077239 /nfs/dbraw/zinc/07/72/39/778077239.db2.gz SMINCHSOWZUFIE-LLVKDONJSA-N 1 0 290.343 2.617 20 5 CFBDRO Cc1cc(F)c(O[C@@H]2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC001234054237 778154031 /nfs/dbraw/zinc/15/40/31/778154031.db2.gz BQBVAEYSQVDVQT-LLVKDONJSA-N 1 0 282.315 2.905 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234060545 778155345 /nfs/dbraw/zinc/15/53/45/778155345.db2.gz QSBSZXLTCLJLNC-NSHDSACASA-N 1 0 282.315 2.905 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228612462 778173230 /nfs/dbraw/zinc/17/32/30/778173230.db2.gz IXNAWHQMHOXGGR-SNVBAGLBSA-N 1 0 286.278 2.736 20 5 CFBDRO COc1cc(C)c(O[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001234274479 778198924 /nfs/dbraw/zinc/19/89/24/778198924.db2.gz JISQWQZKROLNLN-CYBMUJFWSA-N 1 0 252.378 2.786 20 5 CFBDRO COc1cc(F)c(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001234320570 778208148 /nfs/dbraw/zinc/20/81/48/778208148.db2.gz BEFJJOAEWOKWSU-SECBINFHSA-N 1 0 276.759 2.961 20 5 CFBDRO COc1cc(F)cc2ccnc(O[C@@H](C)C[N+](C)(C)C)c21 ZINC001234689140 778288576 /nfs/dbraw/zinc/28/85/76/778288576.db2.gz NRYBVHRKVMMXMF-NSHDSACASA-N 1 0 293.362 2.856 20 5 CFBDRO Cc1nccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001234899661 778325159 /nfs/dbraw/zinc/32/51/59/778325159.db2.gz DAMOBLZJVADUOU-LBPRGKRZSA-N 1 0 279.340 2.550 20 5 CFBDRO CC[N@@H+]1CC[C@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027726 778398246 /nfs/dbraw/zinc/39/82/46/778398246.db2.gz XBBKBOJZZZXOPJ-RISCZKNCSA-N 1 0 264.325 2.767 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc(=O)[nH]c1 ZINC001168303327 778417587 /nfs/dbraw/zinc/41/75/87/778417587.db2.gz VCVGLBBUJYCZNT-UHFFFAOYSA-O 1 0 286.399 2.996 20 5 CFBDRO C[C@H](OCCC[N+](C)(C)C)c1cccc(N(C)C)c1 ZINC001224623473 778604304 /nfs/dbraw/zinc/60/43/04/778604304.db2.gz NRFFXIMCIZFFJN-AWEZNQCLSA-N 1 0 265.421 2.927 20 5 CFBDRO COC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000721911796 779942596 /nfs/dbraw/zinc/94/25/96/779942596.db2.gz JSSLCQPVJRVMKM-CYBMUJFWSA-N 1 0 266.341 2.603 20 5 CFBDRO C[N@@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001162331146 780758621 /nfs/dbraw/zinc/75/86/21/780758621.db2.gz LULUMXPLUULUBT-LBPRGKRZSA-N 1 0 284.747 2.539 20 5 CFBDRO [NH3+][C@@H]1CCCCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000709043683 781287784 /nfs/dbraw/zinc/28/77/84/781287784.db2.gz XKLCPWQYSSMOEX-CYBMUJFWSA-N 1 0 297.786 2.952 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]23C[C@H]2CCC3)cs1 ZINC000710516172 781335532 /nfs/dbraw/zinc/33/55/32/781335532.db2.gz ANAOXICKLRNVSU-PWSUYJOCSA-N 1 0 252.339 2.936 20 5 CFBDRO CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000711001182 781353101 /nfs/dbraw/zinc/35/31/01/781353101.db2.gz QMPKMJDLQRKBTH-SWHYSGLUSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711463809 781440821 /nfs/dbraw/zinc/44/08/21/781440821.db2.gz WLFKSGGPPPZWDM-ZDUSSCGKSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cs1 ZINC000711837638 781473128 /nfs/dbraw/zinc/47/31/28/781473128.db2.gz BGMQBFPSVFVLNQ-JSGCOSHPSA-N 1 0 296.392 2.951 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001118496616 781650013 /nfs/dbraw/zinc/65/00/13/781650013.db2.gz ZPOQBSXKNLAXNU-UBSAEIQESA-N 1 0 272.348 2.999 20 5 CFBDRO C[C@H](COCC1CC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506985 349434259 /nfs/dbraw/zinc/43/42/59/349434259.db2.gz JGRZFSVSBSOPFQ-IAQYHMDHSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594518929 349440205 /nfs/dbraw/zinc/44/02/05/349440205.db2.gz RFYXBXITRIKKOS-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CO1 ZINC000594925996 349512197 /nfs/dbraw/zinc/51/21/97/349512197.db2.gz RBGMEYBXZMSMCD-SCDSUCTJSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594955863 349528065 /nfs/dbraw/zinc/52/80/65/349528065.db2.gz GCEWUVLGIINDIR-AWEZNQCLSA-N 1 0 291.395 2.866 20 5 CFBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594957920 349529096 /nfs/dbraw/zinc/52/90/96/349529096.db2.gz XACVGHRHAZJELV-LBPRGKRZSA-N 1 0 284.381 2.951 20 5 CFBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594961821 349531186 /nfs/dbraw/zinc/53/11/86/349531186.db2.gz IXIUDRSKMAOCON-CQSZACIVSA-N 1 0 277.368 2.557 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccoc2)cs1 ZINC000594978752 349536939 /nfs/dbraw/zinc/53/69/39/349536939.db2.gz BXKNACRPQUISLC-UHFFFAOYSA-N 1 0 252.295 2.582 20 5 CFBDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594979280 349537749 /nfs/dbraw/zinc/53/77/49/349537749.db2.gz IBUDGMMPEAOHEU-AWEZNQCLSA-N 1 0 291.395 2.805 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)CC1CC1 ZINC000594982356 349537928 /nfs/dbraw/zinc/53/79/28/349537928.db2.gz CKHDWNYOMLMQRK-MFBWXBCUSA-N 1 0 290.363 2.606 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCC2)c(F)c1 ZINC000594990121 349540931 /nfs/dbraw/zinc/54/09/31/349540931.db2.gz NDQKHWYSIUTAHK-UHFFFAOYSA-N 1 0 250.273 2.934 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000595013645 349548891 /nfs/dbraw/zinc/54/88/91/349548891.db2.gz KURIIQDWNLUPDR-UHFFFAOYSA-N 1 0 270.279 2.772 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017858 349551291 /nfs/dbraw/zinc/55/12/91/349551291.db2.gz MEEMXKWFHDALQB-MJVIPROJSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000595020050 349552055 /nfs/dbraw/zinc/55/20/55/349552055.db2.gz SJHRDRWQUSPCHM-XHDPSFHLSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000595024633 349553593 /nfs/dbraw/zinc/55/35/93/349553593.db2.gz AGJQHLZEIXFISP-NXEZZACHSA-N 1 0 282.365 2.760 20 5 CFBDRO Cc1c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273085601 192038809 /nfs/dbraw/zinc/03/88/09/192038809.db2.gz RQPRIYVHPOOSLP-HOTGVXAUSA-N 1 0 290.363 2.950 20 5 CFBDRO COC1([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000595025756 349555100 /nfs/dbraw/zinc/55/51/00/349555100.db2.gz MKZWEGHLRZKPPP-LBPRGKRZSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccco2)cc1 ZINC000594996840 349542678 /nfs/dbraw/zinc/54/26/78/349542678.db2.gz FKYWQFXCBYWEDG-UHFFFAOYSA-N 1 0 260.293 2.910 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000595001969 349544017 /nfs/dbraw/zinc/54/40/17/349544017.db2.gz YSWCSCHGQFGFRR-UHFFFAOYSA-N 1 0 297.374 2.944 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595046967 349562994 /nfs/dbraw/zinc/56/29/94/349562994.db2.gz OWFJPPBNOQNWEV-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000595048068 349563669 /nfs/dbraw/zinc/56/36/69/349563669.db2.gz VCQISXBFBAVLCK-IMJCEVDSSA-N 1 0 292.335 2.574 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\CO ZINC000595066170 349572268 /nfs/dbraw/zinc/57/22/68/349572268.db2.gz DKQUXPLZKJOBMH-FOQNGQEVSA-N 1 0 296.392 2.604 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C/C=C\CO)CCCC2 ZINC000595065369 349572434 /nfs/dbraw/zinc/57/24/34/349572434.db2.gz ANWYMYXMFDOZCS-ABCZVMIZSA-N 1 0 276.336 2.500 20 5 CFBDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595069693 349573081 /nfs/dbraw/zinc/57/30/81/349573081.db2.gz QPBAPHLNDWZWLL-JOYOIKCWSA-N 1 0 286.278 2.670 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088900 349577012 /nfs/dbraw/zinc/57/70/12/349577012.db2.gz LORGOLMXJZNGDO-AAEUAGOBSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088901 349577046 /nfs/dbraw/zinc/57/70/46/349577046.db2.gz LORGOLMXJZNGDO-DGCLKSJQSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595092685 349579297 /nfs/dbraw/zinc/57/92/97/349579297.db2.gz ZBFHEEXJWGKIMF-BPNCWPANSA-N 1 0 276.336 2.549 20 5 CFBDRO CC(C)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595285416 349590241 /nfs/dbraw/zinc/59/02/41/349590241.db2.gz XDPLAGUDAFMTKU-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2CC=CC2)CC1 ZINC000595288903 349590962 /nfs/dbraw/zinc/59/09/62/349590962.db2.gz ALZBAEZPXISQME-UHFFFAOYSA-N 1 0 287.363 2.683 20 5 CFBDRO CC[C@@H](C)C[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595343785 349606382 /nfs/dbraw/zinc/60/63/82/349606382.db2.gz DWIPABPWLWFWKI-SECBINFHSA-N 1 0 255.318 2.759 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000595413272 349618865 /nfs/dbraw/zinc/61/88/65/349618865.db2.gz YWRYGWRZNLOBTM-LLVKDONJSA-N 1 0 264.300 2.966 20 5 CFBDRO Cc1noc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595410018 349618017 /nfs/dbraw/zinc/61/80/17/349618017.db2.gz ISZYFVOSRMGUCQ-IUCAKERBSA-N 1 0 267.329 2.806 20 5 CFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413360 349619051 /nfs/dbraw/zinc/61/90/51/349619051.db2.gz ZOHIYKZPWYEKTI-WPRPVWTQSA-N 1 0 253.302 2.654 20 5 CFBDRO CSCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000096956088 185140903 /nfs/dbraw/zinc/14/09/03/185140903.db2.gz AAIICRVIFGLAIB-SNVBAGLBSA-N 1 0 254.355 2.951 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447345 349628867 /nfs/dbraw/zinc/62/88/67/349628867.db2.gz CINQYVONBZFKPQ-IAQYHMDHSA-N 1 0 296.342 2.717 20 5 CFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595463817 349634826 /nfs/dbraw/zinc/63/48/26/349634826.db2.gz AIEJUPGWBGCWLU-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1noc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000595467577 349636161 /nfs/dbraw/zinc/63/61/61/349636161.db2.gz HXMJFLBWWYBVHS-SFYZADRCSA-N 1 0 293.245 2.664 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1COC(C)(C)C1 ZINC000595483280 349639434 /nfs/dbraw/zinc/63/94/34/349639434.db2.gz FLZSMBGKNLQKAC-CYBMUJFWSA-N 1 0 278.352 2.637 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521094 349650121 /nfs/dbraw/zinc/65/01/21/349650121.db2.gz QSTUOVSSDSTUMC-AWEZNQCLSA-N 1 0 295.358 2.650 20 5 CFBDRO Cc1noc(C[NH2+][C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000595502809 349643405 /nfs/dbraw/zinc/64/34/05/349643405.db2.gz NYXBINMACNMIGS-ILDUYXDCSA-N 1 0 265.313 2.560 20 5 CFBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595593752 349668091 /nfs/dbraw/zinc/66/80/91/349668091.db2.gz UMMMGTVDZKHKIW-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131861375 529471438 /nfs/dbraw/zinc/47/14/38/529471438.db2.gz XHUBWOPSINBJAD-YPMHNXCESA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@H](C)[N@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595601420 349670804 /nfs/dbraw/zinc/67/08/04/349670804.db2.gz RLIHDLCOWFDLEC-JTQLQIEISA-N 1 0 252.314 2.921 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000069787098 346900251 /nfs/dbraw/zinc/90/02/51/346900251.db2.gz IZADDRJKXNLYEO-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673033 349696144 /nfs/dbraw/zinc/69/61/44/349696144.db2.gz JHYMVQQLLGQXEK-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1c(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678658 349697837 /nfs/dbraw/zinc/69/78/37/349697837.db2.gz SIQLMVYWDGHIBV-IUODEOHRSA-N 1 0 292.379 2.886 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326506 346909702 /nfs/dbraw/zinc/90/97/02/346909702.db2.gz WZSMJNKXQKUFSM-TZMCWYRMSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595742766 349721376 /nfs/dbraw/zinc/72/13/76/349721376.db2.gz JSGBRYIYPNQHCX-AVGNSLFASA-N 1 0 292.379 2.913 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752098 349723976 /nfs/dbraw/zinc/72/39/76/349723976.db2.gz SDSQWSZASAWDCX-WBMJQRKESA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595703509 349710365 /nfs/dbraw/zinc/71/03/65/349710365.db2.gz SXSHECXXOZKTHR-NHYWBVRUSA-N 1 0 296.342 2.717 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326820 346909767 /nfs/dbraw/zinc/90/97/67/346909767.db2.gz BURCFMUJMBNGJL-DZGCQCFKSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595829445 349744436 /nfs/dbraw/zinc/74/44/36/349744436.db2.gz HXIKMQXSDSFWEC-XBFCOCLRSA-N 1 0 276.336 2.624 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000595767453 349728633 /nfs/dbraw/zinc/72/86/33/349728633.db2.gz XMBXJQYAOAHLPB-CYBMUJFWSA-N 1 0 292.335 2.660 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595777893 349731083 /nfs/dbraw/zinc/73/10/83/349731083.db2.gz LQPUAQPBBDRXGK-CHWSQXEVSA-N 1 0 296.754 2.641 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595779689 349731177 /nfs/dbraw/zinc/73/11/77/349731177.db2.gz FYUKBJYJKFHJMM-NEPJUHHUSA-N 1 0 264.325 2.594 20 5 CFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CC1(C)C ZINC000595909482 349766216 /nfs/dbraw/zinc/76/62/16/349766216.db2.gz ORTUPQUQPIVIHH-JTQLQIEISA-N 1 0 288.351 2.949 20 5 CFBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595910223 349766470 /nfs/dbraw/zinc/76/64/70/349766470.db2.gz RTYAHNGTPXCUTI-LLVKDONJSA-N 1 0 291.351 2.511 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595872298 349758773 /nfs/dbraw/zinc/75/87/73/349758773.db2.gz UWCRDWWURAXNBZ-UHFFFAOYSA-N 1 0 297.374 2.944 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596055140 349782499 /nfs/dbraw/zinc/78/24/99/349782499.db2.gz FOOJGNJQTWTKCL-NSHDSACASA-N 1 0 296.371 2.618 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596055139 349782836 /nfs/dbraw/zinc/78/28/36/349782836.db2.gz FOOJGNJQTWTKCL-LLVKDONJSA-N 1 0 296.371 2.618 20 5 CFBDRO CN(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071377396 346921769 /nfs/dbraw/zinc/92/17/69/346921769.db2.gz IRWKBCURNMYSGU-UHFFFAOYSA-N 1 0 291.395 2.601 20 5 CFBDRO CCn1nccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596094291 349792795 /nfs/dbraw/zinc/79/27/95/349792795.db2.gz JPHWVIMBZLTOOW-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO CCC[NH+](CCC)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596111130 349797478 /nfs/dbraw/zinc/79/74/78/349797478.db2.gz YODPWPHJQJAFSK-UHFFFAOYSA-N 1 0 296.371 2.619 20 5 CFBDRO CC[N@H+](CCNc1cc(C)sc1[N+](=O)[O-])C1CC1 ZINC000596110004 349796656 /nfs/dbraw/zinc/79/66/56/349796656.db2.gz WVGZUAVCONKLCN-UHFFFAOYSA-N 1 0 269.370 2.861 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295014843 199301130 /nfs/dbraw/zinc/30/11/30/199301130.db2.gz MNZDZIGJSYPDFS-CQSZACIVSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169184 349816105 /nfs/dbraw/zinc/81/61/05/349816105.db2.gz SCVGALNUMNAWFF-NEPJUHHUSA-N 1 0 295.408 2.885 20 5 CFBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596210042 349827956 /nfs/dbraw/zinc/82/79/56/349827956.db2.gz WVUSQWXFQDDAQU-NSHDSACASA-N 1 0 283.397 2.885 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000596309278 349859174 /nfs/dbraw/zinc/85/91/74/349859174.db2.gz XLZACNJDTHCMLZ-LLVKDONJSA-N 1 0 263.341 2.880 20 5 CFBDRO COc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000596296837 349855470 /nfs/dbraw/zinc/85/54/70/349855470.db2.gz DOZDQJBHBIEYSO-TXEJJXNPSA-N 1 0 293.367 2.664 20 5 CFBDRO CC[C@H]([NH2+]CCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000127075466 187280314 /nfs/dbraw/zinc/28/03/14/187280314.db2.gz HGPAHZAOVGDCTB-HNNXBMFYSA-N 1 0 288.351 2.922 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH+](C)C ZINC000596427166 349899721 /nfs/dbraw/zinc/89/97/21/349899721.db2.gz ANRZAGGSFCTMNI-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO CCOc1cccc(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596428708 349900522 /nfs/dbraw/zinc/90/05/22/349900522.db2.gz GXCQFLNCCFKWKR-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO COCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000127133710 187284325 /nfs/dbraw/zinc/28/43/25/187284325.db2.gz CIAHPOBKJJJPLH-UHFFFAOYSA-N 1 0 290.319 2.933 20 5 CFBDRO CC(=O)c1cc(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596430921 349901375 /nfs/dbraw/zinc/90/13/75/349901375.db2.gz MDMQMYAFUSDGEQ-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074725693 347028970 /nfs/dbraw/zinc/02/89/70/347028970.db2.gz RXKCSRYQJLVSKA-GFCCVEGCSA-N 1 0 290.323 2.606 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413084368 530064004 /nfs/dbraw/zinc/06/40/04/530064004.db2.gz NDQVKTLKKBPUFJ-ZDUSSCGKSA-N 1 0 286.335 2.649 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596540109 349935696 /nfs/dbraw/zinc/93/56/96/349935696.db2.gz DKGSMSIFNFTOGT-UHFFFAOYSA-N 1 0 266.345 2.522 20 5 CFBDRO CC(=O)c1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000008178200 346222490 /nfs/dbraw/zinc/22/24/90/346222490.db2.gz GMKHBTJZNIGNAH-UHFFFAOYSA-N 1 0 293.367 2.797 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000039367129 346343560 /nfs/dbraw/zinc/34/35/60/346343560.db2.gz VPDBFTXQWHLCJI-LRDDRELGSA-N 1 0 286.331 2.807 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOCC(F)(F)F)c1 ZINC000047889623 346460092 /nfs/dbraw/zinc/46/00/92/346460092.db2.gz IOOGRCLJZJOBCO-UHFFFAOYSA-N 1 0 292.257 2.653 20 5 CFBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075712941 347093591 /nfs/dbraw/zinc/09/35/91/347093591.db2.gz QOJMBJPWZPJDLM-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000048400679 346473443 /nfs/dbraw/zinc/47/34/43/346473443.db2.gz IZNYWBQMXPTKCC-ZDUSSCGKSA-N 1 0 292.335 2.512 20 5 CFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000048400657 346473555 /nfs/dbraw/zinc/47/35/55/346473555.db2.gz MGWVNNKQUSXYON-AWEZNQCLSA-N 1 0 292.335 2.512 20 5 CFBDRO C[NH2+]C[C@@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596654983 349969273 /nfs/dbraw/zinc/96/92/73/349969273.db2.gz OYXBYAVAFZROHF-CXAGYDPISA-N 1 0 299.374 2.882 20 5 CFBDRO CCC[C@@H](N[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596653403 349969279 /nfs/dbraw/zinc/96/92/79/349969279.db2.gz KIJAJYRUTSAHRQ-SMDDNHRTSA-N 1 0 265.357 2.634 20 5 CFBDRO C[NH2+]C[C@@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596655101 349969349 /nfs/dbraw/zinc/96/93/49/349969349.db2.gz QVOBHRHXZFVQLI-YGRLFVJLSA-N 1 0 277.368 2.515 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC([NH+]3CCCC3)CC2)cs1 ZINC000056494444 346609483 /nfs/dbraw/zinc/60/94/83/346609483.db2.gz UXAPERCJTOSCPR-UHFFFAOYSA-N 1 0 295.408 2.717 20 5 CFBDRO Cc1csc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000057399179 346626144 /nfs/dbraw/zinc/62/61/44/346626144.db2.gz UQYSAFNZLJAAEC-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000057877930 346639400 /nfs/dbraw/zinc/63/94/00/346639400.db2.gz HPPRMJBJEODXGW-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccncc2[N+](=O)[O-])C1 ZINC000066809142 346780368 /nfs/dbraw/zinc/78/03/68/346780368.db2.gz KURLQGLNZKGSPN-BETUJISGSA-N 1 0 292.383 2.770 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)C ZINC000065962722 346744941 /nfs/dbraw/zinc/74/49/41/346744941.db2.gz ROKSZBCSIOFVHM-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO C[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075892387 347106093 /nfs/dbraw/zinc/10/60/93/347106093.db2.gz ZHKYLSLPNSJHJZ-RYUDHWBXSA-N 1 0 280.393 2.963 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000076776120 347152542 /nfs/dbraw/zinc/15/25/42/347152542.db2.gz KWXMJYASHFMTCB-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000076800544 347155254 /nfs/dbraw/zinc/15/52/54/347155254.db2.gz MZJXTXFTKOVSDT-CHWSQXEVSA-N 1 0 292.383 2.770 20 5 CFBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000077456060 347193203 /nfs/dbraw/zinc/19/32/03/347193203.db2.gz QLVOWCQIQAFCNG-OAHLLOKOSA-N 1 0 280.368 2.872 20 5 CFBDRO Cc1cnc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000078655697 347267253 /nfs/dbraw/zinc/26/72/53/347267253.db2.gz VUXOVHJUCPSUGY-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cnc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000078669899 347269040 /nfs/dbraw/zinc/26/90/40/347269040.db2.gz RJFAHBDTLYYZMN-ZDUSSCGKSA-N 1 0 292.383 2.609 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000091898868 347602758 /nfs/dbraw/zinc/60/27/58/347602758.db2.gz UTZHBQCDDLOCRR-ZTHSPGPESA-N 1 0 290.363 2.701 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000091486189 347590376 /nfs/dbraw/zinc/59/03/76/347590376.db2.gz QWSKMRMIAHIMMZ-IUODEOHRSA-N 1 0 275.352 2.515 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cccc1[N+](=O)[O-] ZINC000090514557 347550986 /nfs/dbraw/zinc/55/09/86/347550986.db2.gz GPBLGBBEGZWVOV-HTBQSJRVSA-N 1 0 298.408 2.711 20 5 CFBDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000094088771 347690729 /nfs/dbraw/zinc/69/07/29/347690729.db2.gz MAWUDUGUKNFDEB-MRXNPFEDSA-N 1 0 283.331 2.954 20 5 CFBDRO CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122322312 347815658 /nfs/dbraw/zinc/81/56/58/347815658.db2.gz MGFFCLKHGFGCJD-SCRDCRAPSA-N 1 0 277.368 2.715 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122863720 347817084 /nfs/dbraw/zinc/81/70/84/347817084.db2.gz POBSZOAHIJUSJP-RYUDHWBXSA-N 1 0 275.352 2.940 20 5 CFBDRO C[C@H]1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000122955847 347817963 /nfs/dbraw/zinc/81/79/63/347817963.db2.gz ULTCVWDPHDJYNK-QWRGUYRKSA-N 1 0 264.325 2.640 20 5 CFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000124513104 347823881 /nfs/dbraw/zinc/82/38/81/347823881.db2.gz XSYPZJHLBUKAAG-CABZTGNLSA-N 1 0 283.759 2.560 20 5 CFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000124512531 347824015 /nfs/dbraw/zinc/82/40/15/347824015.db2.gz XSYPZJHLBUKAAG-BXKDBHETSA-N 1 0 283.759 2.560 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564039978 290189428 /nfs/dbraw/zinc/18/94/28/290189428.db2.gz WEECXSDFBCMFGJ-LERXQTSPSA-N 1 0 264.325 2.731 20 5 CFBDRO CC[NH+](CC)CCNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000141215072 347930507 /nfs/dbraw/zinc/93/05/07/347930507.db2.gz BXKULPXQVNDIJV-UHFFFAOYSA-N 1 0 281.356 2.666 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000139468005 347920508 /nfs/dbraw/zinc/92/05/08/347920508.db2.gz RYVYHGBIZIGSGF-UHFFFAOYSA-N 1 0 251.330 2.785 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151210913 347960425 /nfs/dbraw/zinc/96/04/25/347960425.db2.gz BPAVFFGVLZSNAT-ZFWWWQNUSA-N 1 0 294.395 2.913 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000215984741 348162953 /nfs/dbraw/zinc/16/29/53/348162953.db2.gz DEENGDCLVAIYEL-GFCCVEGCSA-N 1 0 294.351 2.521 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000222610158 348173444 /nfs/dbraw/zinc/17/34/44/348173444.db2.gz NTKRCACYHRTBAO-VZJVUDMVSA-N 1 0 276.336 2.813 20 5 CFBDRO COCCC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000234631397 348222128 /nfs/dbraw/zinc/22/21/28/348222128.db2.gz VPVYOBMMMBAWNG-UHFFFAOYSA-N 1 0 280.368 2.790 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000231885589 348209521 /nfs/dbraw/zinc/20/95/21/348209521.db2.gz BLTUCAYJVJQHST-ZIAGYGMSSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012342 179378998 /nfs/dbraw/zinc/37/89/98/179378998.db2.gz KDHVFAAPQBWAKW-KGLIPLIRSA-N 1 0 266.341 2.797 20 5 CFBDRO CCC[C@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087009753 179378282 /nfs/dbraw/zinc/37/82/82/179378282.db2.gz OTYDUDCCQBJHEJ-ZDUSSCGKSA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412620 348295335 /nfs/dbraw/zinc/29/53/35/348295335.db2.gz ADEDHLPMQMLCFK-GOEBONIOSA-N 1 0 289.379 2.559 20 5 CFBDRO COCC1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000291043417 348353738 /nfs/dbraw/zinc/35/37/38/348353738.db2.gz BCUICCPQEHYYSN-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413029233 233006336 /nfs/dbraw/zinc/00/63/36/233006336.db2.gz RQFFMBZWRVFDSP-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000273373914 192130358 /nfs/dbraw/zinc/13/03/58/192130358.db2.gz GGIRCQHTQZRGJC-HZPDHXFCSA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403455750 348585342 /nfs/dbraw/zinc/58/53/42/348585342.db2.gz HAMXDPTXHYAMCG-MGPQQGTHSA-N 1 0 260.337 2.916 20 5 CFBDRO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000413301113 233048273 /nfs/dbraw/zinc/04/82/73/233048273.db2.gz KLBACLLAHWFCGY-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCC2)c(F)c1 ZINC000413299880 233048665 /nfs/dbraw/zinc/04/86/65/233048665.db2.gz PBPVJVYCBOKLMT-UHFFFAOYSA-N 1 0 296.346 2.807 20 5 CFBDRO Cc1cc(N(C)CCC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000584581014 348679662 /nfs/dbraw/zinc/67/96/62/348679662.db2.gz CGWYRKLFTRHXJW-UHFFFAOYSA-N 1 0 291.273 2.707 20 5 CFBDRO O=[N+]([O-])c1ccc(CSCC2CC[NH2+]CC2)c(F)c1 ZINC000584588920 348681195 /nfs/dbraw/zinc/68/11/95/348681195.db2.gz LTAMTRFYMBMJNC-UHFFFAOYSA-N 1 0 284.356 2.967 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000584590238 348681429 /nfs/dbraw/zinc/68/14/29/348681429.db2.gz RJXZBBJPYCYWKD-SRVKXCTJSA-N 1 0 264.325 2.731 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCCCC[N@H+](C)C2CC2)c1 ZINC000413344395 233056639 /nfs/dbraw/zinc/05/66/39/233056639.db2.gz CMQZLLYWYHCWIY-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000589584240 348839480 /nfs/dbraw/zinc/83/94/80/348839480.db2.gz LGZDQZFLODXPQV-DTWKUNHWSA-N 1 0 267.354 2.693 20 5 CFBDRO C[NH+]1CCC2(CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590568197 348909799 /nfs/dbraw/zinc/90/97/99/348909799.db2.gz ZQUKPOVDQFANBQ-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000590646035 348920064 /nfs/dbraw/zinc/92/00/64/348920064.db2.gz ODEFISQESXTGNW-OCCSQVGLSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000591266027 349004917 /nfs/dbraw/zinc/00/49/17/349004917.db2.gz OGNXQRZYQYANIO-SCZZXKLOSA-N 1 0 256.252 2.728 20 5 CFBDRO CC(C)c1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275627 349005665 /nfs/dbraw/zinc/00/56/65/349005665.db2.gz LOQXXPBBAXVRJD-AWEZNQCLSA-N 1 0 291.395 2.950 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444743 349022711 /nfs/dbraw/zinc/02/27/11/349022711.db2.gz LKVMYSJOHBOYAE-NEPJUHHUSA-N 1 0 293.342 2.560 20 5 CFBDRO C[NH+](C)C1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000591464326 349025397 /nfs/dbraw/zinc/02/53/97/349025397.db2.gz ABIIYMRGTHQZOH-UHFFFAOYSA-N 1 0 269.370 2.941 20 5 CFBDRO C[C@H]([NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591581363 349032782 /nfs/dbraw/zinc/03/27/82/349032782.db2.gz ROOIBKMRYNCHEJ-LRDDRELGSA-N 1 0 285.347 2.621 20 5 CFBDRO C[C@@H]([NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591581365 349033033 /nfs/dbraw/zinc/03/30/33/349033033.db2.gz ROOIBKMRYNCHEJ-WBMJQRKESA-N 1 0 285.347 2.621 20 5 CFBDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592133960 349088745 /nfs/dbraw/zinc/08/87/45/349088745.db2.gz DPFRFFZQWKMXDP-CQSZACIVSA-N 1 0 264.325 2.594 20 5 CFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCSC ZINC000592204238 349101194 /nfs/dbraw/zinc/10/11/94/349101194.db2.gz RXYWLRSCGNKQAB-UHFFFAOYSA-N 1 0 284.381 2.659 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363858 349109356 /nfs/dbraw/zinc/10/93/56/349109356.db2.gz KBPMDVGZQRLKKE-OCCSQVGLSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000592366884 349110180 /nfs/dbraw/zinc/11/01/80/349110180.db2.gz FRKCKVPBHUCWDO-CABZTGNLSA-N 1 0 284.743 2.558 20 5 CFBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000592375578 349112005 /nfs/dbraw/zinc/11/20/05/349112005.db2.gz UJBAMVISOFFPQE-KOLCDFICSA-N 1 0 272.370 2.543 20 5 CFBDRO CC1([NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592431602 349118620 /nfs/dbraw/zinc/11/86/20/349118620.db2.gz OCCCHVXPUQSXJH-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000592437295 349119675 /nfs/dbraw/zinc/11/96/75/349119675.db2.gz GBHAMNLCJOQHLB-HNNXBMFYSA-N 1 0 289.379 2.668 20 5 CFBDRO Cc1ccc([C@H](C)NC(=O)CCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000592541736 349137235 /nfs/dbraw/zinc/13/72/35/349137235.db2.gz LFSQHDVTCBSDSC-NSHDSACASA-N 1 0 293.367 2.598 20 5 CFBDRO CCCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592993983 349183121 /nfs/dbraw/zinc/18/31/21/349183121.db2.gz RBUZMUOHJMFKLL-UHFFFAOYSA-N 1 0 279.340 2.703 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCCOC1 ZINC000593071926 349202316 /nfs/dbraw/zinc/20/23/16/349202316.db2.gz WRYBHEIMFUUTKN-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCOC1 ZINC000593674574 349308320 /nfs/dbraw/zinc/30/83/20/349308320.db2.gz YRBGMQUPHZTUAR-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)COCC1CC1 ZINC000593681885 349309425 /nfs/dbraw/zinc/30/94/25/349309425.db2.gz LKBHYTJMBNEMGF-GFCCVEGCSA-N 1 0 278.352 2.808 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593689707 349310569 /nfs/dbraw/zinc/31/05/69/349310569.db2.gz PZBOPINWXQADRD-LBPRGKRZSA-N 1 0 284.331 2.528 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1(CO)CCC1 ZINC000593693938 349311210 /nfs/dbraw/zinc/31/12/10/349311210.db2.gz ULXYZGYYXOKTRM-UHFFFAOYSA-N 1 0 278.352 2.546 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000594494998 349429413 /nfs/dbraw/zinc/42/94/13/349429413.db2.gz MTDSXBKSTJBBFJ-PWSUYJOCSA-N 1 0 296.392 2.977 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594496284 349429928 /nfs/dbraw/zinc/42/99/28/349429928.db2.gz YZVKJVHGMSCKDE-PWSUYJOCSA-N 1 0 266.366 2.969 20 5 CFBDRO CCC1(O)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271219533 191008963 /nfs/dbraw/zinc/00/89/63/191008963.db2.gz YKGMTKYDFVOBGP-FNORWQNLSA-N 1 0 290.363 2.845 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597223821 350062231 /nfs/dbraw/zinc/06/22/31/350062231.db2.gz UIQCRBMGJSNXEC-BDSSXFGHSA-N 1 0 258.321 2.950 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000414518922 233279286 /nfs/dbraw/zinc/27/92/86/233279286.db2.gz ADQRZYMCGIIQNC-LBPRGKRZSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414570038 233295703 /nfs/dbraw/zinc/29/57/03/233295703.db2.gz IZDABRQJGNNGNS-OTDCPUGPSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c(F)c1 ZINC000414588008 233299198 /nfs/dbraw/zinc/29/91/98/233299198.db2.gz QIOINIZHTOIXIU-DGCLKSJQSA-N 1 0 276.267 2.973 20 5 CFBDRO C[NH2+]C1(CNc2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000598634130 350298386 /nfs/dbraw/zinc/29/83/86/350298386.db2.gz PVHBCOAFTGZRKP-UHFFFAOYSA-N 1 0 255.343 2.519 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598645348 350300492 /nfs/dbraw/zinc/30/04/92/350300492.db2.gz HFOWSOLUIUMCQF-MBNYWOFBSA-N 1 0 278.352 2.606 20 5 CFBDRO CC1CC(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000598730232 350321055 /nfs/dbraw/zinc/32/10/55/350321055.db2.gz SBRGWSGDSYGBHM-UHFFFAOYSA-N 1 0 291.351 2.559 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCCOC2)cs1 ZINC000598985043 350354026 /nfs/dbraw/zinc/35/40/26/350354026.db2.gz HLWWCOAWSOFARB-JTQLQIEISA-N 1 0 270.354 2.563 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000598999486 350357541 /nfs/dbraw/zinc/35/75/41/350357541.db2.gz ODKAMCXMYGSZTE-INIZCTEOSA-N 1 0 289.379 2.701 20 5 CFBDRO C/C=C/C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599005710 350358008 /nfs/dbraw/zinc/35/80/08/350358008.db2.gz OWKALDPLLNMHQU-NSCUHMNNSA-N 1 0 272.251 2.862 20 5 CFBDRO C/C=C/C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000599005154 350358211 /nfs/dbraw/zinc/35/82/11/350358211.db2.gz KXEXSRFXZVUGQV-HWKANZROSA-N 1 0 250.298 2.659 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599011044 350358248 /nfs/dbraw/zinc/35/82/48/350358248.db2.gz XGRQGKOMGWCSAO-HIFRSBDPSA-N 1 0 276.336 2.560 20 5 CFBDRO C/C=C\C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000599006397 350358293 /nfs/dbraw/zinc/35/82/93/350358293.db2.gz WMPAOXKIABDOAP-ARJAWSKDSA-N 1 0 286.335 2.661 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599007374 350358373 /nfs/dbraw/zinc/35/83/73/350358373.db2.gz PXHAGKRFDZLWKC-BETUJISGSA-N 1 0 278.352 2.579 20 5 CFBDRO CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000092027011 180308629 /nfs/dbraw/zinc/30/86/29/180308629.db2.gz DDPWWAZWXDBHIP-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1COC1 ZINC000599081519 350372329 /nfs/dbraw/zinc/37/23/29/350372329.db2.gz OCJVSBTXYJQPPA-GFCCVEGCSA-N 1 0 296.392 2.702 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599086280 350373308 /nfs/dbraw/zinc/37/33/08/350373308.db2.gz ZXUPZNVWNMJOEM-HZUKXOBISA-N 1 0 288.347 2.739 20 5 CFBDRO CCC1CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086925 350374424 /nfs/dbraw/zinc/37/44/24/350374424.db2.gz BKTOJWISMYOSLC-UHFFFAOYSA-N 1 0 257.293 2.989 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000599096937 350374956 /nfs/dbraw/zinc/37/49/56/350374956.db2.gz CAVJHFZTLKAEOR-UHFFFAOYSA-N 1 0 286.763 2.833 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000599139844 350383118 /nfs/dbraw/zinc/38/31/18/350383118.db2.gz QYYJENVZDIRIKV-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639621 350470099 /nfs/dbraw/zinc/47/00/99/350470099.db2.gz KFBJUGHVPRWHPX-DVOMOZLQSA-N 1 0 290.363 2.750 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000092427754 180383415 /nfs/dbraw/zinc/38/34/15/180383415.db2.gz XMZKDECOLMYXBB-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000108368620 186214163 /nfs/dbraw/zinc/21/41/63/186214163.db2.gz IXWYALIXQBTJJC-UHFFFAOYSA-N 1 0 295.358 2.696 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000600216126 350542091 /nfs/dbraw/zinc/54/20/91/350542091.db2.gz TZXXJYPFTKMFIV-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747025 350605966 /nfs/dbraw/zinc/60/59/66/350605966.db2.gz VWTPBXFUAOVHFI-VBNZEHGJSA-N 1 0 289.379 2.587 20 5 CFBDRO Cc1cc2c(c(-c3cc([N+](=O)[O-])ccc3CO)c1)C[NH2+]CC2 ZINC000600846047 350619413 /nfs/dbraw/zinc/61/94/13/350619413.db2.gz UZBMHOUDLAMXGE-UHFFFAOYSA-N 1 0 298.342 2.708 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601120222 350673810 /nfs/dbraw/zinc/67/38/10/350673810.db2.gz HSQYBUZTAFLARR-NSHDSACASA-N 1 0 283.397 2.824 20 5 CFBDRO CCC[C@H](CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000601139593 350679989 /nfs/dbraw/zinc/67/99/89/350679989.db2.gz GOPXWWBKHUDWOL-CYBMUJFWSA-N 1 0 266.341 2.544 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000601156268 350684659 /nfs/dbraw/zinc/68/46/59/350684659.db2.gz VKNLRJJZHYFXCJ-UHFFFAOYSA-N 1 0 298.342 2.957 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000601188615 350692258 /nfs/dbraw/zinc/69/22/58/350692258.db2.gz KSBSDBXSTSHUMQ-SNVBAGLBSA-N 1 0 298.774 2.564 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000111156676 186362307 /nfs/dbraw/zinc/36/23/07/186362307.db2.gz AHUUGNDNXXGCFX-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601289113 350717705 /nfs/dbraw/zinc/71/77/05/350717705.db2.gz IDVSZGMEFZFZNV-SMDDNHRTSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)O1 ZINC000601299575 350719391 /nfs/dbraw/zinc/71/93/91/350719391.db2.gz RSZQKSJUJGQNQR-JYILRKAJSA-N 1 0 276.336 2.738 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCCC[C@@H]([NH3+])C1 ZINC000601323586 350723626 /nfs/dbraw/zinc/72/36/26/350723626.db2.gz CJUZPARSNZKNAL-TZMCWYRMSA-N 1 0 277.368 2.859 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCCC[C@H]([NH3+])C1 ZINC000601323585 350723640 /nfs/dbraw/zinc/72/36/40/350723640.db2.gz CJUZPARSNZKNAL-OCCSQVGLSA-N 1 0 277.368 2.859 20 5 CFBDRO [NH3+][C@H]1CCCCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602020315 350833733 /nfs/dbraw/zinc/83/37/33/350833733.db2.gz JIWYMSFSWMKZFL-VFADXPBXSA-N 1 0 289.379 2.811 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1CCC1 ZINC000111298184 186392339 /nfs/dbraw/zinc/39/23/39/186392339.db2.gz WFQXBTSJXKIELG-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO CC1(C)C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602564171 350925795 /nfs/dbraw/zinc/92/57/95/350925795.db2.gz NGMOIESEWRNWHG-VIFPVBQESA-N 1 0 275.308 2.872 20 5 CFBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602564302 350925889 /nfs/dbraw/zinc/92/58/89/350925889.db2.gz LIJQHDCQQWXJJU-UHFFFAOYSA-N 1 0 261.281 2.626 20 5 CFBDRO CCC1(O)CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602580806 350932946 /nfs/dbraw/zinc/93/29/46/350932946.db2.gz HLOXZEUGVIVXPD-UHFFFAOYSA-N 1 0 292.379 2.811 20 5 CFBDRO CCC[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000602441173 350883731 /nfs/dbraw/zinc/88/37/31/350883731.db2.gz UYQSSBOSQBWRFR-CYBMUJFWSA-N 1 0 266.341 2.842 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC000112208881 186474778 /nfs/dbraw/zinc/47/47/78/186474778.db2.gz ANWFTWRABRJTNH-UHFFFAOYSA-N 1 0 265.357 2.903 20 5 CFBDRO CO[C@@](C)(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602650492 350961154 /nfs/dbraw/zinc/96/11/54/350961154.db2.gz MIASATURIIZAKO-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO CC[C@@](C)(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000602659181 350964640 /nfs/dbraw/zinc/96/46/40/350964640.db2.gz OOVMQPVFIAABGI-HNNXBMFYSA-N 1 0 280.368 2.884 20 5 CFBDRO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC=CC1 ZINC000602708061 350992050 /nfs/dbraw/zinc/99/20/50/350992050.db2.gz VRHYNAYQRISIAW-UHFFFAOYSA-N 1 0 273.292 2.934 20 5 CFBDRO CCC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OCC ZINC000602719872 350998946 /nfs/dbraw/zinc/99/89/46/350998946.db2.gz BPDKEMZZLJFVIO-HNNXBMFYSA-N 1 0 280.368 2.932 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCC[C@H]1CCO1 ZINC000602606698 350942355 /nfs/dbraw/zinc/94/23/55/350942355.db2.gz WFDFZYVQJPPTKF-ZDUSSCGKSA-N 1 0 298.770 2.949 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000602819245 351036660 /nfs/dbraw/zinc/03/66/60/351036660.db2.gz BTXIUEKCHDDJRD-GFCCVEGCSA-N 1 0 280.372 2.610 20 5 CFBDRO C[C@@H]1OCC[C@@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602842425 351043197 /nfs/dbraw/zinc/04/31/97/351043197.db2.gz VECWPPOHQSBVAU-NWDGAFQWSA-N 1 0 278.352 2.845 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000602843671 351043226 /nfs/dbraw/zinc/04/32/26/351043226.db2.gz WVEBSJBWQVGPFN-RISCZKNCSA-N 1 0 280.372 2.658 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602842487 351043246 /nfs/dbraw/zinc/04/32/46/351043246.db2.gz ZRGGSMZIOHQRGH-CYBMUJFWSA-N 1 0 280.372 2.658 20 5 CFBDRO COc1ccc(C[NH+]2CCC(C)(F)CC2)cc1[N+](=O)[O-] ZINC000602739705 351010260 /nfs/dbraw/zinc/01/02/60/351010260.db2.gz AYZOQHIZWOMJDY-UHFFFAOYSA-N 1 0 282.315 2.927 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000271423357 191130223 /nfs/dbraw/zinc/13/02/23/191130223.db2.gz CHQMFMLRUKOTDZ-AAEUAGOBSA-N 1 0 288.351 2.839 20 5 CFBDRO CC1CC[NH+](CCCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603860646 351187405 /nfs/dbraw/zinc/18/74/05/351187405.db2.gz SHBBQCNTXPINML-UHFFFAOYSA-N 1 0 292.383 2.914 20 5 CFBDRO Cc1c(C[N@H+](CCO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000609316920 351496232 /nfs/dbraw/zinc/49/62/32/351496232.db2.gz CYGKOHAUZYTEBA-UHFFFAOYSA-N 1 0 280.368 2.744 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609384334 351500313 /nfs/dbraw/zinc/50/03/13/351500313.db2.gz KMIYOWGTGNVIGG-GFCCVEGCSA-N 1 0 279.315 2.630 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000609560515 351507204 /nfs/dbraw/zinc/50/72/04/351507204.db2.gz WXORNGQCUGAOIQ-LLVKDONJSA-N 1 0 281.381 2.721 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610133408 351535362 /nfs/dbraw/zinc/53/53/62/351535362.db2.gz MVEPLCGEVPQKPF-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO CC1CCC([N@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)CC1 ZINC000610476269 351568789 /nfs/dbraw/zinc/56/87/89/351568789.db2.gz YGJBOQXMNJAPCZ-UHFFFAOYSA-N 1 0 292.383 2.871 20 5 CFBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000610517770 351576460 /nfs/dbraw/zinc/57/64/60/351576460.db2.gz PZSATXFNQYRVIP-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000610810975 351610775 /nfs/dbraw/zinc/61/07/75/351610775.db2.gz HEYIBERWKQUYFA-NEPJUHHUSA-N 1 0 265.357 2.504 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000611179470 351648712 /nfs/dbraw/zinc/64/87/12/351648712.db2.gz CRSLYBHSVCMZJE-SNVBAGLBSA-N 1 0 286.278 2.690 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1=CCCOC1 ZINC000611252951 351657973 /nfs/dbraw/zinc/65/79/73/351657973.db2.gz PVPDBYPDYBHRIJ-LBPRGKRZSA-N 1 0 276.336 2.934 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3sccc3[N+](=O)[O-])CC[C@@H]21 ZINC000611413825 351686951 /nfs/dbraw/zinc/68/69/51/351686951.db2.gz YUAMOWHCUTVART-QWRGUYRKSA-N 1 0 281.381 2.577 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000611471125 351693749 /nfs/dbraw/zinc/69/37/49/351693749.db2.gz NMXWVPCPBFNDLV-UHFFFAOYSA-N 1 0 266.341 2.578 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337505 351669796 /nfs/dbraw/zinc/66/97/96/351669796.db2.gz VMLFBQZPWCXXHD-RISCZKNCSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)CO ZINC000611336957 351669845 /nfs/dbraw/zinc/66/98/45/351669845.db2.gz SSOCXSNGQSKNEJ-LLVKDONJSA-N 1 0 266.341 2.572 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000611576773 351711309 /nfs/dbraw/zinc/71/13/09/351711309.db2.gz DNLYYNBPIMODLX-LLVKDONJSA-N 1 0 286.278 2.798 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000611617342 351715438 /nfs/dbraw/zinc/71/54/38/351715438.db2.gz YUQBYJDTCUGTEK-NEPJUHHUSA-N 1 0 290.367 2.644 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000122224869 187021901 /nfs/dbraw/zinc/02/19/01/187021901.db2.gz JYZQPRVSBVKOKK-NSHDSACASA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000123188320 187076138 /nfs/dbraw/zinc/07/61/38/187076138.db2.gz ZITOKCDDUFYILS-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCOC1 ZINC000122438695 187032538 /nfs/dbraw/zinc/03/25/38/187032538.db2.gz UFBONXOYVWUCEM-SMDDNHRTSA-N 1 0 294.351 2.508 20 5 CFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000122990224 187064203 /nfs/dbraw/zinc/06/42/03/187064203.db2.gz WZPDODXNNJIQMH-UHFFFAOYSA-N 1 0 285.141 2.952 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000123321523 187084612 /nfs/dbraw/zinc/08/46/12/187084612.db2.gz QIJMKOPEVRDVIH-LBPRGKRZSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000123627534 187101513 /nfs/dbraw/zinc/10/15/13/187101513.db2.gz KOPFFGZULKNFOD-OCCSQVGLSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123737531 187106993 /nfs/dbraw/zinc/10/69/93/187106993.db2.gz DRXJWZCTNPVZAK-BBRMVZONSA-N 1 0 291.395 2.552 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000271563685 191213763 /nfs/dbraw/zinc/21/37/63/191213763.db2.gz YCXHPUUYGBHCAX-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271597753 191233234 /nfs/dbraw/zinc/23/32/34/191233234.db2.gz ZEDMYEJHUXYZDT-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000618197845 352736769 /nfs/dbraw/zinc/73/67/69/352736769.db2.gz HWVDRVDXEMNHRH-HNNXBMFYSA-N 1 0 298.342 2.948 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152970743 188057185 /nfs/dbraw/zinc/05/71/85/188057185.db2.gz UJDBHIRAWHHNAD-BETUJISGSA-N 1 0 276.336 2.835 20 5 CFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153089134 188064034 /nfs/dbraw/zinc/06/40/34/188064034.db2.gz VMLHCUVHAGMSPS-ZYHUDNBSSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153088919 188064130 /nfs/dbraw/zinc/06/41/30/188064130.db2.gz VMLHCUVHAGMSPS-PWSUYJOCSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000153102026 188065247 /nfs/dbraw/zinc/06/52/47/188065247.db2.gz OTPWFBCTHVOKTI-NWDGAFQWSA-N 1 0 264.325 2.733 20 5 CFBDRO CC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000153723037 188099479 /nfs/dbraw/zinc/09/94/79/188099479.db2.gz WCIPVMYFBSZKBI-LBPRGKRZSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153865171 188109101 /nfs/dbraw/zinc/10/91/01/188109101.db2.gz BHNOWTHWSOOGQR-LLVKDONJSA-N 1 0 298.774 2.564 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153905695 188110900 /nfs/dbraw/zinc/11/09/00/188110900.db2.gz REYQMSPZHZJCDT-QWRGUYRKSA-N 1 0 298.774 2.928 20 5 CFBDRO C[C@H](CCO)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000295163789 199381645 /nfs/dbraw/zinc/38/16/45/199381645.db2.gz SOFZHKPPOBHANP-BPJJOFIESA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000154560750 188150328 /nfs/dbraw/zinc/15/03/28/188150328.db2.gz QWGWMPDCNGOOMI-OCCSQVGLSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000154576204 188151705 /nfs/dbraw/zinc/15/17/05/188151705.db2.gz SOBNDQRFLWEYTK-CHWSQXEVSA-N 1 0 277.368 2.648 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccs2)C2CC2)c1 ZINC000157595638 188327176 /nfs/dbraw/zinc/32/71/76/188327176.db2.gz CNPHGKZYXBGNKP-UHFFFAOYSA-N 1 0 292.364 2.517 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271710658 191285215 /nfs/dbraw/zinc/28/52/15/191285215.db2.gz GXDXASAHLAVWSF-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO COC1(C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271727624 191292971 /nfs/dbraw/zinc/29/29/71/191292971.db2.gz MKMWHZCWNANEDF-UHFFFAOYSA-N 1 0 278.352 2.638 20 5 CFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000173732326 188866093 /nfs/dbraw/zinc/86/60/93/188866093.db2.gz QUZXSKUDQUELOB-UHFFFAOYSA-N 1 0 294.351 2.714 20 5 CFBDRO CO[C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273028967 192024760 /nfs/dbraw/zinc/02/47/60/192024760.db2.gz BSMUVXDFDQXDNX-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293669435 198725898 /nfs/dbraw/zinc/72/58/98/198725898.db2.gz JINCZVNWPPQWIU-LRDDRELGSA-N 1 0 292.379 2.931 20 5 CFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176191726 283269182 /nfs/dbraw/zinc/26/91/82/283269182.db2.gz WPDGPYVJLNQPRT-UHFFFAOYSA-N 1 0 288.351 2.704 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286383952 291127422 /nfs/dbraw/zinc/12/74/22/291127422.db2.gz OOEVYQJBPGNLMT-STQMWFEESA-N 1 0 275.352 2.658 20 5 CFBDRO C[C@H](CCCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000294787475 199182749 /nfs/dbraw/zinc/18/27/49/199182749.db2.gz LQMXZNDPKKDYIF-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420287888 236601437 /nfs/dbraw/zinc/60/14/37/236601437.db2.gz RSBHYXFTJDIFIB-NWDGAFQWSA-N 1 0 263.341 2.833 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297188381 200109051 /nfs/dbraw/zinc/10/90/51/200109051.db2.gz FFFXWKSVKVWZGL-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000298078996 200328187 /nfs/dbraw/zinc/32/81/87/200328187.db2.gz HKNSWYHLTFEOJQ-UHFFFAOYSA-N 1 0 298.346 2.764 20 5 CFBDRO CCOCC[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177063644 189025887 /nfs/dbraw/zinc/02/58/87/189025887.db2.gz RPBPBGBEXSHYGV-UHFFFAOYSA-N 1 0 293.323 2.594 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177174617 189034344 /nfs/dbraw/zinc/03/43/44/189034344.db2.gz SZEICUPGOLXMHR-SECBINFHSA-N 1 0 261.281 2.720 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000177893017 189077335 /nfs/dbraw/zinc/07/73/35/189077335.db2.gz VFVHAUWHWBMWCL-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@@H]([NH2+]CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000178160411 189094142 /nfs/dbraw/zinc/09/41/42/189094142.db2.gz SPBHPAOVNIZDOJ-LLVKDONJSA-N 1 0 262.309 2.592 20 5 CFBDRO Cc1c([C@H](C)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000423272258 238331552 /nfs/dbraw/zinc/33/15/52/238331552.db2.gz JTOMMWNOKNCPJU-AAEUAGOBSA-N 1 0 265.357 2.537 20 5 CFBDRO CCCCOC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180443378 189255340 /nfs/dbraw/zinc/25/53/40/189255340.db2.gz UJRVZAUXISALRX-GFCCVEGCSA-N 1 0 294.351 2.979 20 5 CFBDRO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000180459588 189256593 /nfs/dbraw/zinc/25/65/93/189256593.db2.gz VAPZNHIMJWXMGR-JSGCOSHPSA-N 1 0 277.368 2.730 20 5 CFBDRO CCC[NH+]1CCC(CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000301448442 201012332 /nfs/dbraw/zinc/01/23/32/201012332.db2.gz OVIQEGHMLWQCND-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1cnc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301466991 201019370 /nfs/dbraw/zinc/01/93/70/201019370.db2.gz XUSWQTARWHRWNU-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000182329336 189320606 /nfs/dbraw/zinc/32/06/06/189320606.db2.gz AXXCBPNTVVAMBJ-DZGCQCFKSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301567197 201070368 /nfs/dbraw/zinc/07/03/68/201070368.db2.gz WPZUSQWHROSIIO-ZDUSSCGKSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183040974 189344206 /nfs/dbraw/zinc/34/42/06/189344206.db2.gz NYWFCKTWAMIJPX-JQWIXIFHSA-N 1 0 293.367 2.866 20 5 CFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000301622494 201101201 /nfs/dbraw/zinc/10/12/01/201101201.db2.gz DUVGRFCBUDHTQG-LLVKDONJSA-N 1 0 265.357 2.983 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000183279575 189353117 /nfs/dbraw/zinc/35/31/17/189353117.db2.gz VQKWUSYZDPAGPL-AWEZNQCLSA-N 1 0 291.395 2.677 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000183060289 189344631 /nfs/dbraw/zinc/34/46/31/189344631.db2.gz TTXPOKPKALYEFK-NEPJUHHUSA-N 1 0 293.367 2.582 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000183455040 189358915 /nfs/dbraw/zinc/35/89/15/189358915.db2.gz DDOIIZQDEAULTA-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC([NH2+]C(C)C)CC1 ZINC000183312938 189354286 /nfs/dbraw/zinc/35/42/86/189354286.db2.gz HLIYFAKQCYHPSU-UHFFFAOYSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301686755 201137904 /nfs/dbraw/zinc/13/79/04/201137904.db2.gz XFDPMWBBNLEIBJ-GFCCVEGCSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000183355239 189356292 /nfs/dbraw/zinc/35/62/92/189356292.db2.gz ZLBCVSQUYAHCIR-TZMCWYRMSA-N 1 0 278.352 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000183654252 189364956 /nfs/dbraw/zinc/36/49/56/189364956.db2.gz HYMLSLJLTWELST-ZBFHGGJFSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184537408 189388762 /nfs/dbraw/zinc/38/87/62/189388762.db2.gz FXRLWHIECXQULN-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184546667 189389126 /nfs/dbraw/zinc/38/91/26/189389126.db2.gz AJEZMXZVVYFKHP-CQSZACIVSA-N 1 0 290.319 2.708 20 5 CFBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000301973732 201284013 /nfs/dbraw/zinc/28/40/13/201284013.db2.gz AHABPYJCRDKNIO-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000302006791 201295618 /nfs/dbraw/zinc/29/56/18/201295618.db2.gz WAXIPIGIWDFVHL-QMMMGPOBSA-N 1 0 255.343 2.551 20 5 CFBDRO CCOC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000186533662 189442431 /nfs/dbraw/zinc/44/24/31/189442431.db2.gz MJBYPGMMJVQNML-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426461164 239226696 /nfs/dbraw/zinc/22/66/96/239226696.db2.gz PJAKPOIAVIBFCB-OLZOCXBDSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1cc(NCC[C@@H](C)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000302138509 201360081 /nfs/dbraw/zinc/36/00/81/201360081.db2.gz IPZBZNRSSGHION-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC=C(C)CC1 ZINC000302167969 201376355 /nfs/dbraw/zinc/37/63/55/201376355.db2.gz SGPVLHDNXTZLHU-UHFFFAOYSA-N 1 0 275.352 2.967 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189103683 189523352 /nfs/dbraw/zinc/52/33/52/189523352.db2.gz ZYGMYEIAHWGTRU-IUCAKERBSA-N 1 0 272.732 2.761 20 5 CFBDRO [NH3+]C1(c2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CCCC1 ZINC000434659573 240253971 /nfs/dbraw/zinc/25/39/71/240253971.db2.gz RPZNXYPMKVQLHL-UHFFFAOYSA-N 1 0 278.337 2.774 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000436412110 240443645 /nfs/dbraw/zinc/44/36/45/240443645.db2.gz MTDVEIGRQBRYES-ONGXEEELSA-N 1 0 280.324 2.587 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)O1 ZINC000446086328 241277110 /nfs/dbraw/zinc/27/71/10/241277110.db2.gz YWFGCVUKEQLHSP-UPJWGTAASA-N 1 0 278.352 2.635 20 5 CFBDRO CC(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510089 241379079 /nfs/dbraw/zinc/37/90/79/241379079.db2.gz OLVPFAOTYPCZEX-STQMWFEESA-N 1 0 280.372 2.911 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CCC2)n1 ZINC000447542771 241383472 /nfs/dbraw/zinc/38/34/72/241383472.db2.gz QBGDRVIXTSMNNL-QWHCGFSZSA-N 1 0 278.356 2.665 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000447044961 241346592 /nfs/dbraw/zinc/34/65/92/241346592.db2.gz RAMLDKXRIWZBRW-CQSZACIVSA-N 1 0 295.408 2.752 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000447053681 241346824 /nfs/dbraw/zinc/34/68/24/241346824.db2.gz FUEWDWKHBKJNED-CYBMUJFWSA-N 1 0 275.352 2.576 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC000449249499 241793241 /nfs/dbraw/zinc/79/32/41/241793241.db2.gz JHZVLDARGGLWKM-JSGCOSHPSA-N 1 0 278.352 2.685 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449198855 241761174 /nfs/dbraw/zinc/76/11/74/241761174.db2.gz AEIWBCKAFQUQKB-IVMMDQJWSA-N 1 0 292.379 2.931 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CCOCC1 ZINC000449402680 241904327 /nfs/dbraw/zinc/90/43/27/241904327.db2.gz MOCFZIYGVCZORU-LCYFTJDESA-N 1 0 288.347 2.934 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000449580711 242046340 /nfs/dbraw/zinc/04/63/40/242046340.db2.gz SXGAMSUTQLMKRU-CYBMUJFWSA-N 1 0 292.379 2.668 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CC)COC1 ZINC000449600793 242058417 /nfs/dbraw/zinc/05/84/17/242058417.db2.gz PMYRRDIESBIWIU-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC1(C)C ZINC000449625489 242073973 /nfs/dbraw/zinc/07/39/73/242073973.db2.gz SMPHKIYFGLRUII-BXUZGUMPSA-N 1 0 278.352 2.540 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449625424 242074166 /nfs/dbraw/zinc/07/41/66/242074166.db2.gz RTNLHCNSFRWWNX-VSKVDJIOSA-N 1 0 276.336 2.623 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449633537 242081968 /nfs/dbraw/zinc/08/19/68/242081968.db2.gz UMDSEHKVALLXNA-OZVIIMIRSA-N 1 0 292.379 2.929 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449566691 242036564 /nfs/dbraw/zinc/03/65/64/242036564.db2.gz QNIFJGMXRFAMLC-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H](C)C1 ZINC000452059892 243028903 /nfs/dbraw/zinc/02/89/03/243028903.db2.gz CLSXXKPBNKJRMT-AVGNSLFASA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453351282 243525366 /nfs/dbraw/zinc/52/53/66/243525366.db2.gz PRNUBZPAHKLYNM-VXGBXAGGSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330589572 203008027 /nfs/dbraw/zinc/00/80/27/203008027.db2.gz PJKUILQYGIWTRF-JQWIXIFHSA-N 1 0 277.324 2.731 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1ncc(C)cc1[N+](=O)[O-] ZINC000276272648 193266600 /nfs/dbraw/zinc/26/66/00/193266600.db2.gz VEJNOBHLDWWXSS-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459791227 245326571 /nfs/dbraw/zinc/32/65/71/245326571.db2.gz SUYAHSCMEDYSET-DDTOSNHZSA-N 1 0 276.336 2.882 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459799716 245334783 /nfs/dbraw/zinc/33/47/83/245334783.db2.gz YZJXSKHFWKQDIU-LSDHHAIUSA-N 1 0 290.363 2.950 20 5 CFBDRO COc1cc(NC[C@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000234924897 189825198 /nfs/dbraw/zinc/82/51/98/189825198.db2.gz DHSPHXYOQYZXSM-CQSZACIVSA-N 1 0 293.367 2.794 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000020089657 372226476 /nfs/dbraw/zinc/22/64/76/372226476.db2.gz DWCWLLITKXACDP-PWQPVHBWSA-N 1 0 264.325 2.549 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNCCC[NH+]1CCCCC1 ZINC000020128864 372235683 /nfs/dbraw/zinc/23/56/83/372235683.db2.gz CBCDRTFNTUSDAT-UHFFFAOYSA-N 1 0 277.368 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000035081385 372535081 /nfs/dbraw/zinc/53/50/81/372535081.db2.gz NYPUQHMDUQGKMD-NSHDSACASA-N 1 0 270.716 2.517 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000035115423 372539696 /nfs/dbraw/zinc/53/96/96/372539696.db2.gz SCSQHOCCNCJHSL-BLLLJJGKSA-N 1 0 286.331 2.979 20 5 CFBDRO Cc1ccc(CNCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000034995579 372527529 /nfs/dbraw/zinc/52/75/29/372527529.db2.gz WLVXYFWEXGMFAQ-UHFFFAOYSA-N 1 0 279.384 2.581 20 5 CFBDRO CC[C@@H]([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037010587 372627614 /nfs/dbraw/zinc/62/76/14/372627614.db2.gz SDWUXRMDYNBEJE-OAHLLOKOSA-N 1 0 288.351 2.922 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037157065 372659550 /nfs/dbraw/zinc/65/95/50/372659550.db2.gz YBNSNECZBFBJTM-VXGBXAGGSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037140809 372653899 /nfs/dbraw/zinc/65/38/99/372653899.db2.gz JZIINRVFIVYLOC-LBPRGKRZSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000040771669 372787885 /nfs/dbraw/zinc/78/78/85/372787885.db2.gz QXMLXARUQISFMJ-AWEZNQCLSA-N 1 0 291.395 2.977 20 5 CFBDRO CC[C@H]([NH2+]Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000041158919 372822240 /nfs/dbraw/zinc/82/22/40/372822240.db2.gz BGRDZIUSKUNAIY-AWEZNQCLSA-N 1 0 274.324 2.569 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOc2ccccc2)cc1 ZINC000042896303 372966506 /nfs/dbraw/zinc/96/65/06/372966506.db2.gz LRYRKGMUYLFIOS-UHFFFAOYSA-N 1 0 286.331 2.806 20 5 CFBDRO CC(C)[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000045778669 373031083 /nfs/dbraw/zinc/03/10/83/373031083.db2.gz OIIGZOJMCRRMHH-CYBMUJFWSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000049558748 373310183 /nfs/dbraw/zinc/31/01/83/373310183.db2.gz ZJBTYRJUYDGZCX-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963767 373337534 /nfs/dbraw/zinc/33/75/34/373337534.db2.gz QEQIRVJHPFYMEN-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994672 373426397 /nfs/dbraw/zinc/42/63/97/373426397.db2.gz YYDQXUIGHIMDSN-HONMWMINSA-N 1 0 264.325 2.549 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000451729494 383692650 /nfs/dbraw/zinc/69/26/50/383692650.db2.gz KOBWEYXDQYSMKB-OAHLLOKOSA-N 1 0 291.395 2.553 20 5 CFBDRO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000062077286 373746561 /nfs/dbraw/zinc/74/65/61/373746561.db2.gz SILGBBYGQDTWIF-KGLIPLIRSA-N 1 0 291.395 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000289548623 197397915 /nfs/dbraw/zinc/39/79/15/197397915.db2.gz OBXJEHLAHJWFPY-AWEZNQCLSA-N 1 0 298.770 2.889 20 5 CFBDRO CC(C)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571439615 383695171 /nfs/dbraw/zinc/69/51/71/383695171.db2.gz KAIOUIDTLORZOJ-UHFFFAOYSA-N 1 0 261.325 2.864 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000068451166 374030646 /nfs/dbraw/zinc/03/06/46/374030646.db2.gz UZMARSLJOCOHTO-SNVBAGLBSA-N 1 0 290.323 2.875 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000070177999 374141648 /nfs/dbraw/zinc/14/16/48/374141648.db2.gz YWPROUZMSGZOIG-QMTHXVAHSA-N 1 0 297.786 2.807 20 5 CFBDRO Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000073000227 374315215 /nfs/dbraw/zinc/31/52/15/374315215.db2.gz CFNQHYRCKXBZEV-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000073000228 374315309 /nfs/dbraw/zinc/31/53/09/374315309.db2.gz CFNQHYRCKXBZEV-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO COc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000079844090 374631690 /nfs/dbraw/zinc/63/16/90/374631690.db2.gz GGNUCTAQZYUTEA-SNVBAGLBSA-N 1 0 264.325 2.834 20 5 CFBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000492818948 246396209 /nfs/dbraw/zinc/39/62/09/246396209.db2.gz QICPVTVZWGZAJB-NWDGAFQWSA-N 1 0 280.372 2.777 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000079735829 374627991 /nfs/dbraw/zinc/62/79/91/374627991.db2.gz ZHKPZSCVTHCXCK-PWSUYJOCSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[NH+](CC)CCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080599888 374663985 /nfs/dbraw/zinc/66/39/85/374663985.db2.gz CQMPLHRBPKTMNR-UHFFFAOYSA-N 1 0 280.372 2.832 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095880 374685469 /nfs/dbraw/zinc/68/54/69/374685469.db2.gz IPZLCZLGWKYUQO-CJNGLKHVSA-N 1 0 291.395 2.757 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000090217378 375004190 /nfs/dbraw/zinc/00/41/90/375004190.db2.gz DFOYMTKACLPUJH-FZMZJTMJSA-N 1 0 278.352 2.979 20 5 CFBDRO CCC(CC)C[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517222 375017863 /nfs/dbraw/zinc/01/78/63/375017863.db2.gz QNGXOZXMVNXSJH-UHFFFAOYSA-N 1 0 295.383 2.515 20 5 CFBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000090533603 375019185 /nfs/dbraw/zinc/01/91/85/375019185.db2.gz GQNGNSSGQQHNAI-ZYHUDNBSSA-N 1 0 288.351 2.908 20 5 CFBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000090533601 375019891 /nfs/dbraw/zinc/01/98/91/375019891.db2.gz GQNGNSSGQQHNAI-JQWIXIFHSA-N 1 0 288.351 2.908 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000090538853 375021874 /nfs/dbraw/zinc/02/18/74/375021874.db2.gz PDAPTMXEYZOACP-LLVKDONJSA-N 1 0 292.314 2.590 20 5 CFBDRO COCC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093103560 375189919 /nfs/dbraw/zinc/18/99/19/375189919.db2.gz OLGMUGUAIGETFP-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000093284399 375203379 /nfs/dbraw/zinc/20/33/79/375203379.db2.gz GBGJHCOOEOWVIG-GQCTYLIASA-N 1 0 290.363 2.966 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCCCO)C1CC1 ZINC000093383049 375224754 /nfs/dbraw/zinc/22/47/54/375224754.db2.gz KIVZWZWYHHCAQD-FNORWQNLSA-N 1 0 290.363 2.845 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC2(CCC2)C1 ZINC000093640020 375281980 /nfs/dbraw/zinc/28/19/80/375281980.db2.gz NETXINUUJRTSRM-ZZXKWVIFSA-N 1 0 288.347 2.863 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCOC1 ZINC000094774852 375379907 /nfs/dbraw/zinc/37/99/07/375379907.db2.gz RESKGGCMUQMLAO-LBPRGKRZSA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000514176833 247228085 /nfs/dbraw/zinc/22/80/85/247228085.db2.gz WOOOGNRSSWVIFC-BXUZGUMPSA-N 1 0 275.352 2.798 20 5 CFBDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000111636895 375860345 /nfs/dbraw/zinc/86/03/45/375860345.db2.gz KQMJRSQCKROKAF-VIFPVBQESA-N 1 0 292.257 2.824 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000408244536 296240487 /nfs/dbraw/zinc/24/04/87/296240487.db2.gz CLEHZOZDRUZFIS-SWLSCSKDSA-N 1 0 276.336 2.768 20 5 CFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000118419799 376297999 /nfs/dbraw/zinc/29/79/99/376297999.db2.gz RWTPXOZBFRACBI-NEPJUHHUSA-N 1 0 296.392 2.799 20 5 CFBDRO C[N@H+](CCC1CCOCC1)Cc1csc([N+](=O)[O-])c1 ZINC000120677034 376666998 /nfs/dbraw/zinc/66/69/98/376666998.db2.gz KIBLMMVTYWTUOM-UHFFFAOYSA-N 1 0 284.381 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000120510761 376629121 /nfs/dbraw/zinc/62/91/21/376629121.db2.gz QBMMGMOQXXYZKY-UHFFFAOYSA-N 1 0 276.267 2.729 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000133760735 377955572 /nfs/dbraw/zinc/95/55/72/377955572.db2.gz VXWKARQETUZLMN-RISCZKNCSA-N 1 0 293.342 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCSCC2)c1 ZINC000134608600 378037429 /nfs/dbraw/zinc/03/74/29/378037429.db2.gz ZRPQEPLMGFLGOS-UHFFFAOYSA-N 1 0 266.366 2.828 20 5 CFBDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000134824387 378051674 /nfs/dbraw/zinc/05/16/74/378051674.db2.gz FMNRPEQDPJSFGY-NSHDSACASA-N 1 0 293.367 2.550 20 5 CFBDRO COc1cccc(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000134909452 378061485 /nfs/dbraw/zinc/06/14/85/378061485.db2.gz RNSLRZPVURQOIT-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135336619 378120045 /nfs/dbraw/zinc/12/00/45/378120045.db2.gz IPIDTVAXQKOHRT-OCCSQVGLSA-N 1 0 280.372 2.692 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CSC ZINC000135480318 378137864 /nfs/dbraw/zinc/13/78/64/378137864.db2.gz OMWKPINYODBBLX-CYBMUJFWSA-N 1 0 296.392 2.931 20 5 CFBDRO C[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136807331 378210458 /nfs/dbraw/zinc/21/04/58/378210458.db2.gz CUVSNGIVJMIVNB-GLQYFDAESA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCS2)cc1 ZINC000149933896 378267192 /nfs/dbraw/zinc/26/71/92/378267192.db2.gz HIMMCXUAGNCRBH-CYBMUJFWSA-N 1 0 266.366 2.623 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000148501480 378257472 /nfs/dbraw/zinc/25/74/72/378257472.db2.gz UZVKRSCWCNFHHV-GHMZBOCLSA-N 1 0 296.758 2.682 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148482287 378258124 /nfs/dbraw/zinc/25/81/24/378258124.db2.gz TWJWDWFRUYXJNP-JTQLQIEISA-N 1 0 284.747 2.539 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131769 378299337 /nfs/dbraw/zinc/29/93/37/378299337.db2.gz UAJUJUSFPDRRTM-KBPBESRZSA-N 1 0 291.395 2.977 20 5 CFBDRO COCCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000151223125 378309196 /nfs/dbraw/zinc/30/91/96/378309196.db2.gz YMDZNVGKKCNTFY-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331079945 378628128 /nfs/dbraw/zinc/62/81/28/378628128.db2.gz WZRYVXSUYVJHNX-NEPJUHHUSA-N 1 0 280.372 2.729 20 5 CFBDRO CC[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089226 378630862 /nfs/dbraw/zinc/63/08/62/378630862.db2.gz UNRTZRYDVKGHOW-IUODEOHRSA-N 1 0 291.395 2.723 20 5 CFBDRO CC(C)C[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330954356 378603085 /nfs/dbraw/zinc/60/30/85/378603085.db2.gz MFTIXUYZSCJQNN-LBPRGKRZSA-N 1 0 280.372 2.586 20 5 CFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331269940 378660640 /nfs/dbraw/zinc/66/06/40/378660640.db2.gz AETOWBKPFRVKEV-XUJVJEKNSA-N 1 0 278.352 2.576 20 5 CFBDRO Cc1c(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331191855 378646665 /nfs/dbraw/zinc/64/66/65/378646665.db2.gz QAKNNOMLZRXOQL-DOMZBBRYSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cs1 ZINC000332144859 378729663 /nfs/dbraw/zinc/72/96/63/378729663.db2.gz NIXXLKYZPGSIEP-ZDUSSCGKSA-N 1 0 296.392 2.905 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000332638457 378782243 /nfs/dbraw/zinc/78/22/43/378782243.db2.gz AJUIKUFWIHLHBM-NSHDSACASA-N 1 0 280.372 2.729 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737171 378797544 /nfs/dbraw/zinc/79/75/44/378797544.db2.gz ZGCLNZRUTOJIHN-JKSUJKDBSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278649867 194084811 /nfs/dbraw/zinc/08/48/11/194084811.db2.gz JNIBGMHIVJESHO-OWNNVSBGSA-N 1 0 278.352 2.605 20 5 CFBDRO CC(C)C(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289459992 197357620 /nfs/dbraw/zinc/35/76/20/197357620.db2.gz PYTXMMPUDYXURT-UHFFFAOYSA-N 1 0 278.352 2.684 20 5 CFBDRO CC(C)OCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168879145 379098083 /nfs/dbraw/zinc/09/80/83/379098083.db2.gz ILGOMYBUVVOQEU-LLVKDONJSA-N 1 0 252.314 2.670 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1OCC[NH+]1CCCCC1 ZINC000171150368 379244257 /nfs/dbraw/zinc/24/42/57/379244257.db2.gz CVJFFMSNVQJCCN-UHFFFAOYSA-N 1 0 268.288 2.599 20 5 CFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000172053342 379478015 /nfs/dbraw/zinc/47/80/15/379478015.db2.gz ZQMYIIFRVZMXOE-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172717721 379630116 /nfs/dbraw/zinc/63/01/16/379630116.db2.gz MNRYLFOBPDABSQ-NSHDSACASA-N 1 0 292.314 2.623 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000173404833 379734403 /nfs/dbraw/zinc/73/44/03/379734403.db2.gz XHPKXMHCWARZNI-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](OC)C1 ZINC000175170986 380012173 /nfs/dbraw/zinc/01/21/73/380012173.db2.gz VJQATPDZXBOYFZ-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000177892200 380390540 /nfs/dbraw/zinc/39/05/40/380390540.db2.gz RWWISAYIWSOJIN-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO Cc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000179729552 380574446 /nfs/dbraw/zinc/57/44/46/380574446.db2.gz OTOPTDNPHDTVJC-UHFFFAOYSA-N 1 0 289.379 2.573 20 5 CFBDRO COC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000180194580 380632042 /nfs/dbraw/zinc/63/20/42/380632042.db2.gz FANKAOREHGCLEU-LLVKDONJSA-N 1 0 264.325 2.815 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000181455407 380797100 /nfs/dbraw/zinc/79/71/00/380797100.db2.gz ZHGJPVYGQMBTEZ-ZDUSSCGKSA-N 1 0 284.331 2.621 20 5 CFBDRO COC(=O)[C@H]1CCCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000367964792 380866214 /nfs/dbraw/zinc/86/62/14/380866214.db2.gz QPHVMTRGHQBUBJ-CQSZACIVSA-N 1 0 292.335 2.512 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000295463056 380869869 /nfs/dbraw/zinc/86/98/69/380869869.db2.gz QZTUECSSQNXVOI-BREBYQMCSA-N 1 0 298.770 2.946 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000341257745 380871197 /nfs/dbraw/zinc/87/11/97/380871197.db2.gz AMBPEFFSQJFRLC-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347029459 380890993 /nfs/dbraw/zinc/89/09/93/380890993.db2.gz WJOMJYXVDRBDCH-DMDPSCGWSA-N 1 0 292.335 2.539 20 5 CFBDRO CC(C)c1ccc(CN(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347055875 380911643 /nfs/dbraw/zinc/91/16/43/380911643.db2.gz UQEHEUMEVSBBFQ-UHFFFAOYSA-N 1 0 291.395 2.902 20 5 CFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353942601 380974987 /nfs/dbraw/zinc/97/49/87/380974987.db2.gz GMNADYNINCVDBW-UONOGXRCSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000295555482 380939186 /nfs/dbraw/zinc/93/91/86/380939186.db2.gz YRGPTCVWOGIWTH-CQSZACIVSA-N 1 0 290.363 2.829 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000182216590 381024598 /nfs/dbraw/zinc/02/45/98/381024598.db2.gz OBEAGNRGQNQIOG-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000182091804 380989996 /nfs/dbraw/zinc/98/99/96/380989996.db2.gz FXCCWEQBUNEVJO-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182356338 381073551 /nfs/dbraw/zinc/07/35/51/381073551.db2.gz FCWCWFCEQPZLNK-LLVKDONJSA-N 1 0 264.325 2.594 20 5 CFBDRO COC[C@@H]1CC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000354056724 381050388 /nfs/dbraw/zinc/05/03/88/381050388.db2.gz MEIDVFYZCFEKMP-JQVXPOPVSA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000289579658 381052621 /nfs/dbraw/zinc/05/26/21/381052621.db2.gz QDWWIGPCZOFMCL-AWEZNQCLSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182292582 381053164 /nfs/dbraw/zinc/05/31/64/381053164.db2.gz YMVOMCBOAFIDGR-HUUCEWRRSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000341511915 381057627 /nfs/dbraw/zinc/05/76/27/381057627.db2.gz MPUFYUOBLSGUSM-CQSZACIVSA-N 1 0 292.379 2.873 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000341552221 381082159 /nfs/dbraw/zinc/08/21/59/381082159.db2.gz SPRKKZMRGIMRLO-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO Cc1nnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000289664426 381092439 /nfs/dbraw/zinc/09/24/39/381092439.db2.gz GXULENIIBJIKCG-VIFPVBQESA-N 1 0 292.364 2.648 20 5 CFBDRO Cc1c(CN2CC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347357190 381093703 /nfs/dbraw/zinc/09/37/03/381093703.db2.gz RZLREYSCSAWYMG-ZDUSSCGKSA-N 1 0 252.289 2.837 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000289674833 381096879 /nfs/dbraw/zinc/09/68/79/381096879.db2.gz NTISBRWADKXUTN-IZPAUZPXSA-N 1 0 289.379 2.634 20 5 CFBDRO CC[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000295843599 381112297 /nfs/dbraw/zinc/11/22/97/381112297.db2.gz ZUBAFFXQESEDMB-CYBMUJFWSA-N 1 0 296.367 2.585 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000182364821 381076739 /nfs/dbraw/zinc/07/67/39/381076739.db2.gz DPRFWMGTJRCRGW-RISCZKNCSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000289779386 381151479 /nfs/dbraw/zinc/15/14/79/381151479.db2.gz KJIYBHLFMCWHFC-NSHDSACASA-N 1 0 272.732 2.763 20 5 CFBDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000289787367 381156986 /nfs/dbraw/zinc/15/69/86/381156986.db2.gz NBERCHUQOYFZAB-SECBINFHSA-N 1 0 292.364 2.648 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000368756400 381124791 /nfs/dbraw/zinc/12/47/91/381124791.db2.gz QOEBBDCGZCFXPT-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368791183 381134443 /nfs/dbraw/zinc/13/44/43/381134443.db2.gz KHOMFSANUJDGFY-HNNXBMFYSA-N 1 0 290.363 2.986 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000183034173 381198740 /nfs/dbraw/zinc/19/87/40/381198740.db2.gz DOIFVOYQTFWLDX-RYUDHWBXSA-N 1 0 266.341 2.998 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2(C)CC[NH+](C)CC2)n1 ZINC000359080379 381252498 /nfs/dbraw/zinc/25/24/98/381252498.db2.gz FMDXEXQMEKITBI-UHFFFAOYSA-N 1 0 292.383 2.750 20 5 CFBDRO CC(C)(C)[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289927926 381220652 /nfs/dbraw/zinc/22/06/52/381220652.db2.gz OEHIINSSHHRISQ-HNNXBMFYSA-N 1 0 292.379 2.966 20 5 CFBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359048290 381235439 /nfs/dbraw/zinc/23/54/39/381235439.db2.gz AGQWXLOXIWCJRQ-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000290078060 381290376 /nfs/dbraw/zinc/29/03/76/381290376.db2.gz GPFBZVGPOKANLH-VWYCJHECSA-N 1 0 252.314 2.669 20 5 CFBDRO CC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356198 381292669 /nfs/dbraw/zinc/29/26/69/381292669.db2.gz GDFZVAZMVKBJNJ-MFKMUULPSA-N 1 0 291.351 2.692 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342313481 381272752 /nfs/dbraw/zinc/27/27/52/381272752.db2.gz XLPYPUSRACXAQS-NEPJUHHUSA-N 1 0 252.289 2.883 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000347664384 381286258 /nfs/dbraw/zinc/28/62/58/381286258.db2.gz PRCOSPYABLKZLR-INIZCTEOSA-N 1 0 290.363 2.986 20 5 CFBDRO CC(C)SCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000290128597 381312630 /nfs/dbraw/zinc/31/26/30/381312630.db2.gz MSFCHXAWUZFPKO-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000342412003 381317341 /nfs/dbraw/zinc/31/73/41/381317341.db2.gz GXHIDAFAIZHFJX-CYBMUJFWSA-N 1 0 279.384 2.805 20 5 CFBDRO CCOCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000354745104 381433264 /nfs/dbraw/zinc/43/32/64/381433264.db2.gz DNBNSVNDIJQOBE-VURMDHGXSA-N 1 0 264.325 2.576 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296529037 381436252 /nfs/dbraw/zinc/43/62/52/381436252.db2.gz QIONIVKMTLIOPT-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000296641654 381485432 /nfs/dbraw/zinc/48/54/32/381485432.db2.gz CEAPKZAJXIHORP-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO CCOC(=O)CCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296704959 381512493 /nfs/dbraw/zinc/51/24/93/381512493.db2.gz LIDDMUDBVPKPPO-LBPRGKRZSA-N 1 0 294.351 2.979 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296645247 381487604 /nfs/dbraw/zinc/48/76/04/381487604.db2.gz YKHURAAJNZHZCH-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO COc1cccc(NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000185150913 381547100 /nfs/dbraw/zinc/54/71/00/381547100.db2.gz WOYMNUPDZIKRHS-GFCCVEGCSA-N 1 0 295.383 2.992 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000296725309 381521395 /nfs/dbraw/zinc/52/13/95/381521395.db2.gz NMNUMZJLSZXUIN-DEKYYXRVSA-N 1 0 264.325 2.811 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000290709237 381527307 /nfs/dbraw/zinc/52/73/07/381527307.db2.gz LJLBTDGBXJJPES-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000342828578 381572720 /nfs/dbraw/zinc/57/27/20/381572720.db2.gz RNJKRORKYUCKCX-GFCCVEGCSA-N 1 0 278.352 2.859 20 5 CFBDRO C[C@@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290811633 381560926 /nfs/dbraw/zinc/56/09/26/381560926.db2.gz REHYAPKFXFLKQA-ZJUUUORDSA-N 1 0 279.315 2.771 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000185360571 381610928 /nfs/dbraw/zinc/61/09/28/381610928.db2.gz YXJASWSCUMVKQQ-CQSZACIVSA-N 1 0 280.368 2.742 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cs1 ZINC000355106804 381615456 /nfs/dbraw/zinc/61/54/56/381615456.db2.gz IOEHTXKMESESHT-NEPJUHHUSA-N 1 0 282.365 2.657 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000371429287 381625283 /nfs/dbraw/zinc/62/52/83/381625283.db2.gz BWLPNTRAXXSVIQ-CQSZACIVSA-N 1 0 286.335 2.698 20 5 CFBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000291027707 381639026 /nfs/dbraw/zinc/63/90/26/381639026.db2.gz IJOSDVRZJYJISZ-HNNXBMFYSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@H]([NH3+])CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414972568 381668000 /nfs/dbraw/zinc/66/80/00/381668000.db2.gz ARVBNFVXCILVOB-LBPRGKRZSA-N 1 0 289.335 2.682 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414957805 381651992 /nfs/dbraw/zinc/65/19/92/381651992.db2.gz OTAGXKGMMHWTHJ-CHWSQXEVSA-N 1 0 279.384 2.504 20 5 CFBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000359968171 381704048 /nfs/dbraw/zinc/70/40/48/381704048.db2.gz OCFMVYXRYZRVOS-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000343477871 381741696 /nfs/dbraw/zinc/74/16/96/381741696.db2.gz PAXVWUYMROTXAX-RYUDHWBXSA-N 1 0 278.356 2.501 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000291323028 381747594 /nfs/dbraw/zinc/74/75/94/381747594.db2.gz UXFCEWKKZYLEQW-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000291322274 381748103 /nfs/dbraw/zinc/74/81/03/381748103.db2.gz SVALHCIRNCTJHW-HNNXBMFYSA-N 1 0 278.352 2.903 20 5 CFBDRO COc1cc(NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000361152340 381805221 /nfs/dbraw/zinc/80/52/21/381805221.db2.gz XWAJNKJZJNDKBF-CYBMUJFWSA-N 1 0 295.383 2.992 20 5 CFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292931551 381909565 /nfs/dbraw/zinc/90/95/65/381909565.db2.gz GXXZPUZZLKFYQN-HROVJIIKSA-N 1 0 290.363 2.749 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349410408 381925923 /nfs/dbraw/zinc/92/59/23/381925923.db2.gz SYOCSQXPTUIRFS-LRDDRELGSA-N 1 0 292.379 2.921 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349410410 381926965 /nfs/dbraw/zinc/92/69/65/381926965.db2.gz SYOCSQXPTUIRFS-WBMJQRKESA-N 1 0 292.379 2.921 20 5 CFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292899981 381894005 /nfs/dbraw/zinc/89/40/05/381894005.db2.gz AIQLWROWRIKWQI-MRXNPFEDSA-N 1 0 292.379 2.825 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3C=CCCC3)CC2)n1 ZINC000373237820 381957304 /nfs/dbraw/zinc/95/73/04/381957304.db2.gz VGRNXMRNZMFROE-GFCCVEGCSA-N 1 0 276.340 2.537 20 5 CFBDRO CCC1(CC)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000186546623 381943110 /nfs/dbraw/zinc/94/31/10/381943110.db2.gz NEKVKQSSSHEAFM-UHFFFAOYSA-N 1 0 280.372 2.694 20 5 CFBDRO CC(C)CC1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000343995678 382056789 /nfs/dbraw/zinc/05/67/89/382056789.db2.gz RFNZXPOGQOAXOV-UHFFFAOYSA-N 1 0 294.399 2.940 20 5 CFBDRO Cc1c([C@H](C)NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282467 382062995 /nfs/dbraw/zinc/06/29/95/382062995.db2.gz CWDCFQCRMYEDRN-AAEUAGOBSA-N 1 0 279.384 2.752 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000343960629 382036633 /nfs/dbraw/zinc/03/66/33/382036633.db2.gz MIAKSGJLTKSKLZ-CQSZACIVSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C1 ZINC000301186621 382101856 /nfs/dbraw/zinc/10/18/56/382101856.db2.gz PQNVBSBLYDLKPO-GFCCVEGCSA-N 1 0 292.383 2.912 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000344090311 382122580 /nfs/dbraw/zinc/12/25/80/382122580.db2.gz MBTKSSOQIIGFFJ-UONOGXRCSA-N 1 0 278.352 2.542 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1COC)C(C)C ZINC000357241482 382074865 /nfs/dbraw/zinc/07/48/65/382074865.db2.gz SYHWWHJRTGPEDC-UHFFFAOYSA-N 1 0 295.383 2.883 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293323416 382078857 /nfs/dbraw/zinc/07/88/57/382078857.db2.gz GBWRCNXWTSJVQO-FRRDWIJNSA-N 1 0 277.368 2.680 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000344040800 382087922 /nfs/dbraw/zinc/08/79/22/382087922.db2.gz XGKFKBGMPIAHLG-CYBMUJFWSA-N 1 0 276.336 2.706 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293355195 382091909 /nfs/dbraw/zinc/09/19/09/382091909.db2.gz IBGNXKBATDOQNR-FRRDWIJNSA-N 1 0 277.368 2.680 20 5 CFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000301286251 382137640 /nfs/dbraw/zinc/13/76/40/382137640.db2.gz QUQFJZVQEQDZNP-UHFFFAOYSA-N 1 0 286.763 2.785 20 5 CFBDRO CC(C)CCOCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293579783 382184388 /nfs/dbraw/zinc/18/43/88/382184388.db2.gz DXFIXSAAYIHQFO-GFCCVEGCSA-N 1 0 295.383 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000376958713 382197164 /nfs/dbraw/zinc/19/71/64/382197164.db2.gz SEGBCJTVEROKMC-SUMWQHHRSA-N 1 0 298.342 2.905 20 5 CFBDRO CC[N@@H+]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344217847 382206479 /nfs/dbraw/zinc/20/64/79/382206479.db2.gz NKJPEMOXCLYJEV-ZDUSSCGKSA-N 1 0 277.368 2.683 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c(Cl)c1 ZINC000187560723 382209072 /nfs/dbraw/zinc/20/90/72/382209072.db2.gz PQNJKKODSXFGOG-BNOWGMLFSA-N 1 0 296.754 2.905 20 5 CFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352184642 382211374 /nfs/dbraw/zinc/21/13/74/382211374.db2.gz ULAIOFIPTNAZJV-SECBINFHSA-N 1 0 297.330 2.839 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377231235 382237468 /nfs/dbraw/zinc/23/74/68/382237468.db2.gz IUPGXQIOTHXAPD-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000301728092 382189496 /nfs/dbraw/zinc/18/94/96/382189496.db2.gz VXWKARQETUZLMN-SMDDNHRTSA-N 1 0 293.342 2.654 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345165547 382288668 /nfs/dbraw/zinc/28/86/68/382288668.db2.gz ATNVXTGSIUWLLD-WDEREUQCSA-N 1 0 281.331 2.653 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344284247 382250560 /nfs/dbraw/zinc/25/05/60/382250560.db2.gz CFCBNDSUBRQHLA-CABCVRRESA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)c1 ZINC000357658113 382268816 /nfs/dbraw/zinc/26/88/16/382268816.db2.gz HCOUZMJVHOHOIJ-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420283158 382340616 /nfs/dbraw/zinc/34/06/16/382340616.db2.gz NSENVOZGTXSSOG-VXGBXAGGSA-N 1 0 263.341 2.833 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000420288838 382342103 /nfs/dbraw/zinc/34/21/03/382342103.db2.gz SKLVKPOXMXUPCN-GXSJLCMTSA-N 1 0 267.304 2.663 20 5 CFBDRO CC(F)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000357725936 382295646 /nfs/dbraw/zinc/29/56/46/382295646.db2.gz FGDYXCAIOYMOKV-UHFFFAOYSA-N 1 0 262.231 2.869 20 5 CFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900626 382366684 /nfs/dbraw/zinc/36/66/84/382366684.db2.gz CRJXPRSSYJEPQU-OLZOCXBDSA-N 1 0 280.372 2.692 20 5 CFBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000304019548 382369495 /nfs/dbraw/zinc/36/94/95/382369495.db2.gz DCTJHKXSNYWDKS-BXKDBHETSA-N 1 0 272.370 2.543 20 5 CFBDRO COc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352546014 382390126 /nfs/dbraw/zinc/39/01/26/382390126.db2.gz OFSGDPKPTPBRQJ-PHIMTYICSA-N 1 0 264.325 2.976 20 5 CFBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420370968 382390859 /nfs/dbraw/zinc/39/08/59/382390859.db2.gz WKOVTZHELZBGIM-GFCCVEGCSA-N 1 0 285.775 2.711 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413381 382403363 /nfs/dbraw/zinc/40/33/63/382403363.db2.gz ZXIIDDWCNYCWPT-HIFRSBDPSA-N 1 0 289.379 2.559 20 5 CFBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358187550 382495033 /nfs/dbraw/zinc/49/50/33/382495033.db2.gz KAIPFEOORJLDJB-OLZOCXBDSA-N 1 0 296.367 2.605 20 5 CFBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358187549 382495727 /nfs/dbraw/zinc/49/57/27/382495727.db2.gz KAIPFEOORJLDJB-CHWSQXEVSA-N 1 0 296.367 2.605 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000308663302 382483789 /nfs/dbraw/zinc/48/37/89/382483789.db2.gz AQMYHISLMXXLOW-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358174085 382486602 /nfs/dbraw/zinc/48/66/02/382486602.db2.gz WOXMDAOXVKTIBT-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(C3CCCC3)C2)c1 ZINC000366501436 382521266 /nfs/dbraw/zinc/52/12/66/382521266.db2.gz BIKPIUUUPIITGU-MRXNPFEDSA-N 1 0 290.363 2.750 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000346799627 382516626 /nfs/dbraw/zinc/51/66/26/382516626.db2.gz WBOUVDXOVSISFH-ZDUSSCGKSA-N 1 0 296.367 2.754 20 5 CFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791491 382576636 /nfs/dbraw/zinc/57/66/36/382576636.db2.gz NMQVWRXHWXFCGZ-RISCZKNCSA-N 1 0 298.770 2.841 20 5 CFBDRO COc1ccncc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353610662 382577009 /nfs/dbraw/zinc/57/70/09/382577009.db2.gz WBVSBLKRAIWCIO-XQRVVYSFSA-N 1 0 299.330 2.801 20 5 CFBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358319819 382565423 /nfs/dbraw/zinc/56/54/23/382565423.db2.gz PDOICKVYMVFMPJ-RYUDHWBXSA-N 1 0 298.408 2.668 20 5 CFBDRO COC[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353591151 382568820 /nfs/dbraw/zinc/56/88/20/382568820.db2.gz WMQGTNINTUXVDJ-AGLBCWCQSA-N 1 0 276.336 2.576 20 5 CFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000295055839 382569108 /nfs/dbraw/zinc/56/91/08/382569108.db2.gz YPBSPRKROGEYPM-NSHDSACASA-N 1 0 293.342 2.654 20 5 CFBDRO CCC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000295226011 382591963 /nfs/dbraw/zinc/59/19/63/382591963.db2.gz RYZYBOOHVVCOGL-LLVKDONJSA-N 1 0 266.341 2.581 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000189327873 382592668 /nfs/dbraw/zinc/59/26/68/382592668.db2.gz OVOFXXMZQZAPDG-XQQFMLRXSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H]([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833382 382642466 /nfs/dbraw/zinc/64/24/66/382642466.db2.gz GUJGFGBTHAENIU-VIFPVBQESA-N 1 0 274.267 2.527 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189930821 382645784 /nfs/dbraw/zinc/64/57/84/382645784.db2.gz YDNGIHPMDBMUSM-SWLSCSKDSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000189990481 382648976 /nfs/dbraw/zinc/64/89/76/382648976.db2.gz JSHCLDXXLWBXEY-ZIAGYGMSSA-N 1 0 278.352 2.544 20 5 CFBDRO CC(C)(O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000189994077 382649635 /nfs/dbraw/zinc/64/96/35/382649635.db2.gz OSSFXYBWCXGPQS-UHFFFAOYSA-N 1 0 298.770 2.984 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](OC)C1 ZINC000190954740 382686267 /nfs/dbraw/zinc/68/62/67/382686267.db2.gz AJGSHBAQDXXLEU-JSGCOSHPSA-N 1 0 294.351 2.651 20 5 CFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191645611 382701694 /nfs/dbraw/zinc/70/16/94/382701694.db2.gz BCZZCVPMIPUCHH-MRXNPFEDSA-N 1 0 292.379 2.968 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1ncc([N+](=O)[O-])s1 ZINC000192531040 382709959 /nfs/dbraw/zinc/70/99/59/382709959.db2.gz LMCURTQRACCCAI-UHFFFAOYSA-N 1 0 286.401 2.610 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721419 382711500 /nfs/dbraw/zinc/71/15/00/382711500.db2.gz NWFWZCSIWGNAEA-XJKSGUPXSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCCCO)C1CC1 ZINC000192932736 382713692 /nfs/dbraw/zinc/71/36/92/382713692.db2.gz JMSROZHWZRUJMB-OAHLLOKOSA-N 1 0 292.379 2.668 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964824 382714013 /nfs/dbraw/zinc/71/40/13/382714013.db2.gz LVDCBGRENWTVRE-ZFWWWQNUSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193104560 382715709 /nfs/dbraw/zinc/71/57/09/382715709.db2.gz DDEDMRIGLTXZBK-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO CC(C)(CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336836442 382729060 /nfs/dbraw/zinc/72/90/60/382729060.db2.gz KTMXOVDLSXECPR-UHFFFAOYSA-N 1 0 284.331 2.622 20 5 CFBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000191047813 382689395 /nfs/dbraw/zinc/68/93/95/382689395.db2.gz FGLWJOBLGRLOFW-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000195507562 382768405 /nfs/dbraw/zinc/76/84/05/382768405.db2.gz BESPSJWNRURFNJ-SNVBAGLBSA-N 1 0 286.401 2.830 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000220363191 382795726 /nfs/dbraw/zinc/79/57/26/382795726.db2.gz JIPSEQNIQUIJNA-CYBMUJFWSA-N 1 0 289.379 2.559 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214747607 382777094 /nfs/dbraw/zinc/77/70/94/382777094.db2.gz VUGVJQBPCYVGLE-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000575805909 382799708 /nfs/dbraw/zinc/79/97/08/382799708.db2.gz PMXKCBBTXURTHV-GDBMZVCRSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000222544511 382802453 /nfs/dbraw/zinc/80/24/53/382802453.db2.gz DUKOUDIVKLJCED-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000224385322 382810652 /nfs/dbraw/zinc/81/06/52/382810652.db2.gz UFRJORRPWJVMCM-QWRGUYRKSA-N 1 0 266.366 2.999 20 5 CFBDRO CC(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000226241666 382825441 /nfs/dbraw/zinc/82/54/41/382825441.db2.gz SYNUZQUKORRFSS-UHFFFAOYSA-N 1 0 274.324 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000576590622 382828904 /nfs/dbraw/zinc/82/89/04/382828904.db2.gz OQOZQKCDUROJPA-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO C[N@H+](CCCCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227119615 382833920 /nfs/dbraw/zinc/83/39/20/382833920.db2.gz LIYKGALDWGZFLG-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO CC[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000227276441 382834867 /nfs/dbraw/zinc/83/48/67/382834867.db2.gz KDAYNDRIVLAODA-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227346887 382836095 /nfs/dbraw/zinc/83/60/95/382836095.db2.gz KUYFEOWBFYRCDI-UHFFFAOYSA-N 1 0 286.759 2.887 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000227380160 382836858 /nfs/dbraw/zinc/83/68/58/382836858.db2.gz CUULYMQIIRZWIM-HOCLYGCPSA-N 1 0 290.363 2.722 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889175 382842088 /nfs/dbraw/zinc/84/20/88/382842088.db2.gz DFZXABZYZRRAPI-QMMMGPOBSA-N 1 0 273.283 2.625 20 5 CFBDRO CCOc1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000228210168 382845698 /nfs/dbraw/zinc/84/56/98/382845698.db2.gz GQMKYXMDIMDGQY-NWDGAFQWSA-N 1 0 293.367 2.888 20 5 CFBDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000230417075 382860948 /nfs/dbraw/zinc/86/09/48/382860948.db2.gz NUINBXSOLSTYJY-SECBINFHSA-N 1 0 274.267 2.527 20 5 CFBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000230911238 382863428 /nfs/dbraw/zinc/86/34/28/382863428.db2.gz DYHJQBOSHGCJSQ-DTWKUNHWSA-N 1 0 284.747 2.538 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577608384 382864582 /nfs/dbraw/zinc/86/45/82/382864582.db2.gz FZNYUKZSWHBAGU-KBPBESRZSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577608386 382864687 /nfs/dbraw/zinc/86/46/87/382864687.db2.gz FZNYUKZSWHBAGU-UONOGXRCSA-N 1 0 289.379 2.729 20 5 CFBDRO O=[N+]([O-])c1cccc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000337939711 382874862 /nfs/dbraw/zinc/87/48/62/382874862.db2.gz ZXTHRBFLOQNFHI-BETUJISGSA-N 1 0 294.376 2.550 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CCCO ZINC000577976746 382879097 /nfs/dbraw/zinc/87/90/97/382879097.db2.gz NRRHORXONQJBRN-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO CON1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000421888611 382962153 /nfs/dbraw/zinc/96/21/53/382962153.db2.gz WTYBARGHDVYUFA-LBPRGKRZSA-N 1 0 293.367 2.580 20 5 CFBDRO CN(CCC[NH3+])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000579238499 382996256 /nfs/dbraw/zinc/99/62/56/382996256.db2.gz IGOKIJXVRJPOLO-UHFFFAOYSA-N 1 0 289.335 2.635 20 5 CFBDRO C[C@H](C[C@H](C)O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447596438 382998300 /nfs/dbraw/zinc/99/83/00/382998300.db2.gz BZEOXROCCYAMQY-ZETOZRRWSA-N 1 0 278.352 2.721 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000338481061 383018599 /nfs/dbraw/zinc/01/85/99/383018599.db2.gz QFQSJEGJYCPKRZ-LBPRGKRZSA-N 1 0 282.365 2.587 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000579662366 383038654 /nfs/dbraw/zinc/03/86/54/383038654.db2.gz OAVBXDQNLPULBA-CHWSQXEVSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245859150 383040836 /nfs/dbraw/zinc/04/08/36/383040836.db2.gz FBMGVGYJNMMMSJ-RISCZKNCSA-N 1 0 264.325 2.503 20 5 CFBDRO Cc1cnc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000338759251 383041334 /nfs/dbraw/zinc/04/13/34/383041334.db2.gz AYESUZGZSHISBT-UHFFFAOYSA-N 1 0 292.383 2.976 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@H]1O ZINC000245866255 383042227 /nfs/dbraw/zinc/04/22/27/383042227.db2.gz QENRXORLGOCCAA-DLBZAZTESA-N 1 0 298.342 2.685 20 5 CFBDRO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000552069046 383068029 /nfs/dbraw/zinc/06/80/29/383068029.db2.gz MQLIVBPTHYJKNA-ZDUSSCGKSA-N 1 0 288.294 2.634 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423375531 383070971 /nfs/dbraw/zinc/07/09/71/383070971.db2.gz KRMZJZWKCGFKOB-SGMGOOAPSA-N 1 0 277.368 2.694 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375295 383071136 /nfs/dbraw/zinc/07/11/36/383071136.db2.gz IMTOGCFUWLJGQB-IUODEOHRSA-N 1 0 291.395 2.504 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423378901 383072706 /nfs/dbraw/zinc/07/27/06/383072706.db2.gz LGKPBKUUCHMELS-ABAIWWIYSA-N 1 0 277.368 2.560 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000590135997 383121324 /nfs/dbraw/zinc/12/13/24/383121324.db2.gz RRKRLSHTMRHRQG-LLVKDONJSA-N 1 0 281.381 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246969052 383126692 /nfs/dbraw/zinc/12/66/92/383126692.db2.gz XTAUKPGMEXHNSC-HOCLYGCPSA-N 1 0 290.363 2.638 20 5 CFBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000339004486 383116899 /nfs/dbraw/zinc/11/68/99/383116899.db2.gz XIMMZWWQXUFPRE-VXGBXAGGSA-N 1 0 278.356 2.665 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449308742 383212203 /nfs/dbraw/zinc/21/22/03/383212203.db2.gz ZJGABENNLGJHLC-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000449101500 383175868 /nfs/dbraw/zinc/17/58/68/383175868.db2.gz FMTZWWCZJOEBHV-CHWSQXEVSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000517342531 383176632 /nfs/dbraw/zinc/17/66/32/383176632.db2.gz DBSBRXOPXPDRCB-KGLIPLIRSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000339291349 383189215 /nfs/dbraw/zinc/18/92/15/383189215.db2.gz XGULXSCKTRUFCP-SNVBAGLBSA-N 1 0 272.308 2.544 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269121 383192612 /nfs/dbraw/zinc/19/26/12/383192612.db2.gz LXCMXIRWGPYIJV-SDDRHHMPSA-N 1 0 266.341 2.539 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000339459196 383204461 /nfs/dbraw/zinc/20/44/61/383204461.db2.gz KKWPKPXVIRUMCN-JTQLQIEISA-N 1 0 273.292 2.546 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339470281 383209311 /nfs/dbraw/zinc/20/93/11/383209311.db2.gz QTMZDWDDIOOGDB-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339586943 383254437 /nfs/dbraw/zinc/25/44/37/383254437.db2.gz NZVLVLTWZMWPAB-MNOVXSKESA-N 1 0 268.288 2.584 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CC([NH+](C)C)C1 ZINC000520428331 383256862 /nfs/dbraw/zinc/25/68/62/383256862.db2.gz QYVJFNQCPPXVPA-GHXNOFRVSA-N 1 0 289.379 2.680 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN(Cc1ncccc1O)C1CC1 ZINC000567311645 383261522 /nfs/dbraw/zinc/26/15/22/383261522.db2.gz NAQVEBPKZGFDSI-UHFFFAOYSA-N 1 0 299.330 2.860 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000248607087 383270404 /nfs/dbraw/zinc/27/04/04/383270404.db2.gz DCXFHYSTMITCLV-ZJUUUORDSA-N 1 0 282.315 2.973 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248629747 383274712 /nfs/dbraw/zinc/27/47/12/383274712.db2.gz OUGLIDLDEJXZGM-GOEBONIOSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567472740 383278538 /nfs/dbraw/zinc/27/85/38/383278538.db2.gz PKJSECZZQWBDTH-IKKNBEIESA-N 1 0 288.347 2.719 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334264 383223336 /nfs/dbraw/zinc/22/33/36/383223336.db2.gz DPVBOSNVOHLZFM-GFCCVEGCSA-N 1 0 280.368 2.788 20 5 CFBDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334379 383223426 /nfs/dbraw/zinc/22/34/26/383223426.db2.gz JFFVXHPHEUMCGR-KBPBESRZSA-N 1 0 293.411 2.844 20 5 CFBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248337711 383224519 /nfs/dbraw/zinc/22/45/19/383224519.db2.gz HNYMPWZFXUWWIZ-RYUDHWBXSA-N 1 0 264.325 2.704 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000449346501 383230006 /nfs/dbraw/zinc/23/00/06/383230006.db2.gz ZYCNEVIAMPBQKM-BXUZGUMPSA-N 1 0 280.368 2.665 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C)(F)C1 ZINC000449369559 383242356 /nfs/dbraw/zinc/24/23/56/383242356.db2.gz DLWRWPPYTDALOD-UHFFFAOYSA-N 1 0 282.315 2.974 20 5 CFBDRO COc1ccc(C[NH2+]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000449371897 383243694 /nfs/dbraw/zinc/24/36/94/383243694.db2.gz ZUOYPSDIUROFIA-UHFFFAOYSA-N 1 0 268.288 2.584 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC)OC ZINC000449375983 383246279 /nfs/dbraw/zinc/24/62/79/383246279.db2.gz KGVXUCSSNRYSGT-AWEZNQCLSA-N 1 0 296.367 2.898 20 5 CFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449513648 383348883 /nfs/dbraw/zinc/34/88/83/383348883.db2.gz WGXHAZVIYDPBQE-HOCLYGCPSA-N 1 0 294.395 2.974 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCCCO ZINC000449424083 383283449 /nfs/dbraw/zinc/28/34/49/383283449.db2.gz CIWKRGOSSNSOFA-GFCCVEGCSA-N 1 0 296.367 2.634 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CF)CCOCC1 ZINC000449444985 383297150 /nfs/dbraw/zinc/29/71/50/383297150.db2.gz FLCQBUFDICBTOL-HYXAFXHYSA-N 1 0 294.326 2.716 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000340249194 383391876 /nfs/dbraw/zinc/39/18/76/383391876.db2.gz ZDTSHCIFZIQOTQ-NSHDSACASA-N 1 0 266.341 2.540 20 5 CFBDRO CC[NH2+]CCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000568074796 383354809 /nfs/dbraw/zinc/35/48/09/383354809.db2.gz UHQGPKCBZJLUDZ-HNNXBMFYSA-N 1 0 291.395 2.906 20 5 CFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000340142614 383361722 /nfs/dbraw/zinc/36/17/22/383361722.db2.gz HNNXRGUQCSTTBI-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000524619786 383376790 /nfs/dbraw/zinc/37/67/90/383376790.db2.gz JGFXUHGKLXHWBE-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO COC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255437788 383481775 /nfs/dbraw/zinc/48/17/75/383481775.db2.gz ZZZVZQPQYYSZRY-XYLWRLHESA-N 1 0 264.325 2.575 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000253103986 383445925 /nfs/dbraw/zinc/44/59/25/383445925.db2.gz ZDPZNGVTUACHOC-OAGGEKHMSA-N 1 0 290.363 2.720 20 5 CFBDRO CC(C)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527106656 383452727 /nfs/dbraw/zinc/45/27/27/383452727.db2.gz ZECOSAXVYRBPET-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c[nH+]ccc32)n1 ZINC000359085994 291826324 /nfs/dbraw/zinc/82/63/24/291826324.db2.gz URMCVQDLHQDJRZ-UHFFFAOYSA-N 1 0 270.292 2.696 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CO)CCCC1 ZINC000569590897 383516087 /nfs/dbraw/zinc/51/60/87/383516087.db2.gz QQVSXONSKUTONB-AWEZNQCLSA-N 1 0 290.363 2.724 20 5 CFBDRO CC(C)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000429335698 383519716 /nfs/dbraw/zinc/51/97/16/383519716.db2.gz SRSCHJQGHOCMIM-CYBMUJFWSA-N 1 0 292.383 2.912 20 5 CFBDRO CC(C)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000429335701 383520310 /nfs/dbraw/zinc/52/03/10/383520310.db2.gz SRSCHJQGHOCMIM-ZDUSSCGKSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C1CC1 ZINC000569826097 383541575 /nfs/dbraw/zinc/54/15/75/383541575.db2.gz WVIQOAHIGAEDIN-XHDPSFHLSA-N 1 0 289.379 2.654 20 5 CFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000570216035 383583278 /nfs/dbraw/zinc/58/32/78/383583278.db2.gz MACALLGPQBHSSL-MNOVXSKESA-N 1 0 293.367 2.574 20 5 CFBDRO C[C@]1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]C1 ZINC000262074244 383602638 /nfs/dbraw/zinc/60/26/38/383602638.db2.gz SKDCJAKPWQDLTI-INIZCTEOSA-N 1 0 289.379 2.559 20 5 CFBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261840963 383568480 /nfs/dbraw/zinc/56/84/80/383568480.db2.gz ULQZEBHIMANJIB-DLBZAZTESA-N 1 0 297.358 2.522 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC12CC2 ZINC000570827896 383639190 /nfs/dbraw/zinc/63/91/90/383639190.db2.gz YLFJQHRMBSXZMU-GWCFXTLKSA-N 1 0 258.321 2.972 20 5 CFBDRO CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551777 383643377 /nfs/dbraw/zinc/64/33/77/383643377.db2.gz VGSOQOUKQVNKSM-UKRRQHHQSA-N 1 0 278.352 2.545 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)C(C)C ZINC000570943041 383650759 /nfs/dbraw/zinc/65/07/59/383650759.db2.gz XQUILTPFFHMLPF-DZKIICNBSA-N 1 0 292.379 2.967 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CC1(C)C ZINC000489438257 383618546 /nfs/dbraw/zinc/61/85/46/383618546.db2.gz ZUAQTNUOLRNTCO-ZDUSSCGKSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CC1(C)C ZINC000489438256 383618913 /nfs/dbraw/zinc/61/89/13/383618913.db2.gz ZUAQTNUOLRNTCO-CYBMUJFWSA-N 1 0 291.351 2.572 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489497525 383624931 /nfs/dbraw/zinc/62/49/31/383624931.db2.gz KVROQWVDCPRMEM-ZDUSSCGKSA-N 1 0 264.325 2.704 20 5 CFBDRO CCCN(Cc1c(F)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431095823 383630432 /nfs/dbraw/zinc/63/04/32/383630432.db2.gz WMRHQASJDKQMJA-UHFFFAOYSA-N 1 0 295.358 2.698 20 5 CFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)cc1 ZINC000530627928 383779353 /nfs/dbraw/zinc/77/93/53/383779353.db2.gz JYFKXJKJGBAFDR-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cs1 ZINC000264598142 383760468 /nfs/dbraw/zinc/76/04/68/383760468.db2.gz MZHHUUOIQSURLL-CYBMUJFWSA-N 1 0 295.408 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264659509 383769983 /nfs/dbraw/zinc/76/99/83/383769983.db2.gz YKPZGAZXQXTBOJ-INIZCTEOSA-N 1 0 289.379 2.655 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453628453 383890695 /nfs/dbraw/zinc/89/06/95/383890695.db2.gz JQSLMMILWRUKNP-FZMZJTMJSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453628452 383891681 /nfs/dbraw/zinc/89/16/81/383891681.db2.gz JQSLMMILWRUKNP-BXUZGUMPSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])O1 ZINC000453630014 383891703 /nfs/dbraw/zinc/89/17/03/383891703.db2.gz LWSPBCCPSBJLGR-UDGJJRABSA-N 1 0 276.336 2.765 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000265559863 383944646 /nfs/dbraw/zinc/94/46/46/383944646.db2.gz SDCLUONARSURTD-NWDGAFQWSA-N 1 0 296.758 2.682 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000265793190 384000652 /nfs/dbraw/zinc/00/06/52/384000652.db2.gz RAQQESDZAPOBSA-AWEZNQCLSA-N 1 0 292.360 2.654 20 5 CFBDRO CCCCN(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573577330 383956646 /nfs/dbraw/zinc/95/66/46/383956646.db2.gz SPFGUGOYDXUCRD-HNNXBMFYSA-N 1 0 291.395 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2nccs2)c1 ZINC000265649445 383968264 /nfs/dbraw/zinc/96/82/64/383968264.db2.gz XCTGRGGWCAPYDB-UHFFFAOYSA-N 1 0 277.349 2.774 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000532451020 384031266 /nfs/dbraw/zinc/03/12/66/384031266.db2.gz XSTPDTGNWMDMNR-OLZOCXBDSA-N 1 0 288.351 2.839 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000266139788 384091962 /nfs/dbraw/zinc/09/19/62/384091962.db2.gz GQFJGVKHLFPGGQ-UHFFFAOYSA-N 1 0 291.351 2.642 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000574284666 384072819 /nfs/dbraw/zinc/07/28/19/384072819.db2.gz GXZITHAFGHJKOE-HIFRSBDPSA-N 1 0 288.347 2.596 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000574464865 384100031 /nfs/dbraw/zinc/10/00/31/384100031.db2.gz WBJPZSFVCPTWIZ-WDEREUQCSA-N 1 0 291.351 2.641 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420270623 533033995 /nfs/dbraw/zinc/03/39/95/533033995.db2.gz CEIFZBYTJMEXSJ-NXEZZACHSA-N 1 0 297.330 2.672 20 5 CFBDRO C[C@@H]1C[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266261329 384130151 /nfs/dbraw/zinc/13/01/51/384130151.db2.gz PCPFWWUZZPQGQW-ZYHUDNBSSA-N 1 0 281.331 2.653 20 5 CFBDRO C[C@H](O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266539856 384195217 /nfs/dbraw/zinc/19/52/17/384195217.db2.gz PMXFMXNXAGPLID-RYUDHWBXSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266804269 384240325 /nfs/dbraw/zinc/24/03/25/384240325.db2.gz SQOWUHXUKAZYMX-MFKMUULPSA-N 1 0 266.341 2.652 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000277248873 384245021 /nfs/dbraw/zinc/24/50/21/384245021.db2.gz VMGUQCVKGDRYPF-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000266932731 384265367 /nfs/dbraw/zinc/26/53/67/384265367.db2.gz MXUHGWFUEMHXKR-LLVKDONJSA-N 1 0 297.786 2.632 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CCF)cc1[N+](=O)[O-] ZINC000281127935 195113828 /nfs/dbraw/zinc/11/38/28/195113828.db2.gz STRLKFSHHFHOGM-SECBINFHSA-N 1 0 256.277 2.614 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000267181258 384316909 /nfs/dbraw/zinc/31/69/09/384316909.db2.gz FNTODSRHVYBWFE-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267015928 384278529 /nfs/dbraw/zinc/27/85/29/384278529.db2.gz OUBTZTHFYNMCJT-UHFFFAOYSA-N 1 0 295.358 2.696 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000369467102 285112190 /nfs/dbraw/zinc/11/21/90/285112190.db2.gz LETOEIXJLXAWCW-HUUCEWRRSA-N 1 0 276.336 2.738 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278150296 384484339 /nfs/dbraw/zinc/48/43/39/384484339.db2.gz ABJNWSWAKGSFRH-XHDPSFHLSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000268025660 384512865 /nfs/dbraw/zinc/51/28/65/384512865.db2.gz IZCRFKGOISSLIR-QWHCGFSZSA-N 1 0 277.368 2.822 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000268143463 384542378 /nfs/dbraw/zinc/54/23/78/384542378.db2.gz LDKFIUMXYXIEOH-LKFCYVNXSA-N 1 0 279.315 2.629 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000268143465 384542707 /nfs/dbraw/zinc/54/27/07/384542707.db2.gz LDKFIUMXYXIEOH-OTYXRUKQSA-N 1 0 279.315 2.629 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000268163913 384550511 /nfs/dbraw/zinc/55/05/11/384550511.db2.gz PGRJTVZDQULRIL-STQMWFEESA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1ccnc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268278582 384589488 /nfs/dbraw/zinc/58/94/88/384589488.db2.gz VTXARGXXQDCGTG-CYBMUJFWSA-N 1 0 292.383 2.688 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000279013206 384603253 /nfs/dbraw/zinc/60/32/53/384603253.db2.gz HCELCZHBYFTJKG-ABAIWWIYSA-N 1 0 291.395 2.857 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000268881267 384684833 /nfs/dbraw/zinc/68/48/33/384684833.db2.gz WLGATTUVSRLZAM-KBPBESRZSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000301382605 285133666 /nfs/dbraw/zinc/13/36/66/285133666.db2.gz ZKSKQERTIBLIJJ-VBNZEHGJSA-N 1 0 287.363 2.515 20 5 CFBDRO CCC(=O)c1ccc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000279978308 384836803 /nfs/dbraw/zinc/83/68/03/384836803.db2.gz FEYYMQRCUKIRHI-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCSC1)CCO2 ZINC000356518195 285142619 /nfs/dbraw/zinc/14/26/19/285142619.db2.gz CWGIWQFCNMOPOL-NSHDSACASA-N 1 0 294.376 2.542 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCF)CCCC2 ZINC000417331506 285144353 /nfs/dbraw/zinc/14/43/53/285144353.db2.gz MFBCJPGECDOYOY-CYBMUJFWSA-N 1 0 252.289 2.921 20 5 CFBDRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270813114 385235133 /nfs/dbraw/zinc/23/51/33/385235133.db2.gz WZZBTGJCXPQWKG-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO C[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000271025327 385307079 /nfs/dbraw/zinc/30/70/79/385307079.db2.gz VUOGVQMLICMEGX-UHFFFAOYSA-N 1 0 292.360 2.747 20 5 CFBDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282464255 385317106 /nfs/dbraw/zinc/31/71/06/385317106.db2.gz UEVHFBOYTKEDHV-WCQYABFASA-N 1 0 294.351 2.603 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000271112198 385339380 /nfs/dbraw/zinc/33/93/80/385339380.db2.gz HOTMZZQPPWJJNU-SMDDNHRTSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000282575291 385344202 /nfs/dbraw/zinc/34/42/02/385344202.db2.gz FQHACJPYHZYLCA-UHFFFAOYSA-N 1 0 279.340 2.654 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000283293975 385453884 /nfs/dbraw/zinc/45/38/84/385453884.db2.gz YCVRJEZRCZNGDU-AAEUAGOBSA-N 1 0 295.358 2.648 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000283080766 385434231 /nfs/dbraw/zinc/43/42/31/385434231.db2.gz VSDWYIOXXKUQTQ-UHFFFAOYSA-N 1 0 272.370 2.687 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCO[C@H]21 ZINC000272318869 385508788 /nfs/dbraw/zinc/50/87/88/385508788.db2.gz PZKLVJIRGKPGGZ-IACUBPJLSA-N 1 0 294.326 2.637 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC=C(c3ccccc3)C2)n1 ZINC000283933947 385515193 /nfs/dbraw/zinc/51/51/93/385515193.db2.gz AYINRFZNUPCRMI-UHFFFAOYSA-N 1 0 298.346 2.581 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284109319 385535691 /nfs/dbraw/zinc/53/56/91/385535691.db2.gz OSPBVWQTHPHMBE-PELKAZGASA-N 1 0 281.381 2.722 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CO)CC1 ZINC000272370096 385520840 /nfs/dbraw/zinc/52/08/40/385520840.db2.gz UGLVNGOILWGPTJ-LBPRGKRZSA-N 1 0 278.352 2.669 20 5 CFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccccc1[N+](=O)[O-] ZINC000272516351 385556924 /nfs/dbraw/zinc/55/69/24/385556924.db2.gz NDUOUSZJLVGWGX-LBPRGKRZSA-N 1 0 277.368 2.761 20 5 CFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000272583361 385568981 /nfs/dbraw/zinc/56/89/81/385568981.db2.gz SBQVIFLYRGZAFL-ZFWWWQNUSA-N 1 0 278.352 2.578 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCC(F)(F)C1)CC2 ZINC000450690551 285184099 /nfs/dbraw/zinc/18/40/99/285184099.db2.gz HAEMEWDYJMJMHN-SNVBAGLBSA-N 1 0 297.305 2.783 20 5 CFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000272623676 385578496 /nfs/dbraw/zinc/57/84/96/385578496.db2.gz YVDTVOSWCVQGBU-VXGBXAGGSA-N 1 0 284.381 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286547843 385645746 /nfs/dbraw/zinc/64/57/46/385645746.db2.gz ZWGUUUDDFJFEFC-NNQSOWQGSA-N 1 0 289.379 2.965 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288680939 197143947 /nfs/dbraw/zinc/14/39/47/197143947.db2.gz AQWLURZJKGGGGT-NSHDSACASA-N 1 0 280.372 2.709 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000287116179 385783548 /nfs/dbraw/zinc/78/35/48/385783548.db2.gz XAKNHCVMCXZAOI-CJNGLKHVSA-N 1 0 289.379 2.653 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000287197447 385801505 /nfs/dbraw/zinc/80/15/05/385801505.db2.gz WCPSBSBJSMQWGK-LBPRGKRZSA-N 1 0 297.424 2.617 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274458736 385803323 /nfs/dbraw/zinc/80/33/23/385803323.db2.gz HBEYOYHQCXLIAN-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274524969 385817741 /nfs/dbraw/zinc/81/77/41/385817741.db2.gz ZOQGOEFUVWLJNV-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CCOc1cc(CN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276830270 386054982 /nfs/dbraw/zinc/05/49/82/386054982.db2.gz AUUGDDBMORPUHG-GFCCVEGCSA-N 1 0 294.351 2.604 20 5 CFBDRO CSCCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000281284798 195181289 /nfs/dbraw/zinc/18/12/89/195181289.db2.gz GOOBNCSZIPNJGB-UHFFFAOYSA-N 1 0 284.381 2.659 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281703267 195344348 /nfs/dbraw/zinc/34/43/48/195344348.db2.gz NXYDVMWNEWCJFD-DGCLKSJQSA-N 1 0 264.325 2.594 20 5 CFBDRO CC(=O)c1ccc(NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000281788933 195382327 /nfs/dbraw/zinc/38/23/27/195382327.db2.gz HUXIFVQDQZCOCB-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO CC(C)COCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283900223 195939514 /nfs/dbraw/zinc/93/95/14/195939514.db2.gz CVMWVOVGVPLQKR-LBPRGKRZSA-N 1 0 295.383 2.890 20 5 CFBDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000097928854 533361162 /nfs/dbraw/zinc/36/11/62/533361162.db2.gz SCKRMYVQQAZOED-GFCCVEGCSA-N 1 0 277.368 2.730 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000426483215 533566914 /nfs/dbraw/zinc/56/69/14/533566914.db2.gz OGWCDHAUDQHIPO-QWHCGFSZSA-N 1 0 276.336 2.978 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341927271 130157438 /nfs/dbraw/zinc/15/74/38/130157438.db2.gz JFDUSHIJBFDGAU-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1(F)CCC1 ZINC000342222411 130393951 /nfs/dbraw/zinc/39/39/51/130393951.db2.gz LPHBXJCISGIVIG-UHFFFAOYSA-N 1 0 252.289 2.967 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]1C(F)F ZINC000342223020 130396502 /nfs/dbraw/zinc/39/65/02/130396502.db2.gz VVCKVNAPDAZYRB-MNOVXSKESA-N 1 0 286.278 2.737 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342225228 130397274 /nfs/dbraw/zinc/39/72/74/130397274.db2.gz NDWBIFDFCMDQNY-NXEZZACHSA-N 1 0 256.252 2.646 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCOC1 ZINC000237948437 131068408 /nfs/dbraw/zinc/06/84/08/131068408.db2.gz MEASZZXTMYBVTP-LPZVBRGNSA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000246827960 131098331 /nfs/dbraw/zinc/09/83/31/131098331.db2.gz BPGWBCYAJZMVMH-NJZAAPMLSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000267262751 131844846 /nfs/dbraw/zinc/84/48/46/131844846.db2.gz KUPMFRGVCOSIQO-AAEUAGOBSA-N 1 0 293.367 2.888 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000267278731 131847654 /nfs/dbraw/zinc/84/76/54/131847654.db2.gz OJTCBCUONZBKCT-ZJUUUORDSA-N 1 0 298.774 2.928 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000267278725 131847696 /nfs/dbraw/zinc/84/76/96/131847696.db2.gz OJTCBCUONZBKCT-UWVGGRQHSA-N 1 0 298.774 2.928 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000268901387 132085392 /nfs/dbraw/zinc/08/53/92/132085392.db2.gz CQRXMHZWIUFGAY-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301947379 393483727 /nfs/dbraw/zinc/48/37/27/393483727.db2.gz DCNWUUOCVYHRQI-HNNXBMFYSA-N 1 0 277.368 2.680 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000181060315 393488937 /nfs/dbraw/zinc/48/89/37/393488937.db2.gz KHPNBBMBYVTYJS-OSMZGAPFSA-N 1 0 294.351 2.558 20 5 CFBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182347943 393509268 /nfs/dbraw/zinc/50/92/68/393509268.db2.gz ZDWUMFDHFQZGEJ-JSGCOSHPSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182347956 393509278 /nfs/dbraw/zinc/50/92/78/393509278.db2.gz ZDWUMFDHFQZGEJ-OCCSQVGLSA-N 1 0 282.315 2.781 20 5 CFBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191876074 393610484 /nfs/dbraw/zinc/61/04/84/393610484.db2.gz OEKLRJCYOYSXCH-UONOGXRCSA-N 1 0 294.399 2.986 20 5 CFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000083417571 393742722 /nfs/dbraw/zinc/74/27/22/393742722.db2.gz FLDNBZZANFLCGO-UHFFFAOYSA-N 1 0 296.392 2.801 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCC2(O)CCC2)C2CC2)cc1 ZINC000411423830 393710742 /nfs/dbraw/zinc/71/07/42/393710742.db2.gz YUIQIERLWCBVEG-UHFFFAOYSA-N 1 0 290.363 2.864 20 5 CFBDRO CCCCNC(=O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411484101 393717971 /nfs/dbraw/zinc/71/79/71/393717971.db2.gz OHAGTXFPGQJSSQ-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000338796393 393800937 /nfs/dbraw/zinc/80/09/37/393800937.db2.gz SCVJZHZURURIGV-PHIMTYICSA-N 1 0 281.331 2.571 20 5 CFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105443336 393863909 /nfs/dbraw/zinc/86/39/09/393863909.db2.gz QSFWELGILVFGAZ-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO CCOC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000428742437 393911769 /nfs/dbraw/zinc/91/17/69/393911769.db2.gz UKLNEXHUJURROU-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CC[C@@]1(O)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470201639 393898734 /nfs/dbraw/zinc/89/87/34/393898734.db2.gz IPYWKDHZZYNSEF-LRFDDAOPSA-N 1 0 290.363 2.845 20 5 CFBDRO CC[C@]1(O)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470201642 393899309 /nfs/dbraw/zinc/89/93/09/393899309.db2.gz IPYWKDHZZYNSEF-WQMJKPAKSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616375 393942769 /nfs/dbraw/zinc/94/27/69/393942769.db2.gz LSZODEWKAJQYEB-STQMWFEESA-N 1 0 294.399 2.938 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000429549614 393952468 /nfs/dbraw/zinc/95/24/68/393952468.db2.gz PGDVKSPHBWZDJS-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)([NH2+]CC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000430118482 393960001 /nfs/dbraw/zinc/96/00/01/393960001.db2.gz FFCKRCSJUCPEMN-LBPRGKRZSA-N 1 0 278.352 2.846 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000430201546 393967267 /nfs/dbraw/zinc/96/72/67/393967267.db2.gz KONUXVPOXYUPGW-KBPBESRZSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264640849 393968431 /nfs/dbraw/zinc/96/84/31/393968431.db2.gz VRKUGJVPTJKHIW-HNNXBMFYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC(C)[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269402870 394004020 /nfs/dbraw/zinc/00/40/20/394004020.db2.gz VFHUCQVFBRXCDH-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000278906947 394064385 /nfs/dbraw/zinc/06/43/85/394064385.db2.gz ZVXUXHLBAQLHLC-GHJWDPDVSA-N 1 0 290.363 2.987 20 5 CFBDRO C[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420167389 394087891 /nfs/dbraw/zinc/08/78/91/394087891.db2.gz RISORPKTBOJKRH-UHFFFAOYSA-N 1 0 277.246 2.553 20 5 CFBDRO CC1=CCN(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000358237022 394098997 /nfs/dbraw/zinc/09/89/97/394098997.db2.gz ZPJMQTLSTKSQHZ-AWEZNQCLSA-N 1 0 289.379 2.897 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1CC[NH2+]C1 ZINC000420226539 394099767 /nfs/dbraw/zinc/09/97/67/394099767.db2.gz GXEGLTHMNPJJFC-ZETCQYMHSA-N 1 0 290.150 2.923 20 5 CFBDRO Cc1cc(N2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272859491 394031619 /nfs/dbraw/zinc/03/16/19/394031619.db2.gz QFMLEUFQEAKKOX-NSHDSACASA-N 1 0 287.319 2.677 20 5 CFBDRO CSCCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000439478835 394118822 /nfs/dbraw/zinc/11/88/22/394118822.db2.gz OLYDTXOEUCNVHH-UHFFFAOYSA-N 1 0 284.381 2.659 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000439490589 394119863 /nfs/dbraw/zinc/11/98/63/394119863.db2.gz GPBRCDBGUPVNGA-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000420630555 394121304 /nfs/dbraw/zinc/12/13/04/394121304.db2.gz DWENXMNYWJHCHI-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO CCOC1CC(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000285357941 394141520 /nfs/dbraw/zinc/14/15/20/394141520.db2.gz QAMLRHDLNUUIGF-UHFFFAOYSA-N 1 0 292.379 2.884 20 5 CFBDRO Cc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000360068209 394145636 /nfs/dbraw/zinc/14/56/36/394145636.db2.gz ZUKGIMBLXPIWSO-OAHLLOKOSA-N 1 0 295.358 2.819 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000285748883 394146012 /nfs/dbraw/zinc/14/60/12/394146012.db2.gz YOVAGXGGJYJCLJ-OAHLLOKOSA-N 1 0 294.351 2.652 20 5 CFBDRO CC[C@H](C)[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287433064 394204903 /nfs/dbraw/zinc/20/49/03/394204903.db2.gz PQAMWXYIODAZIV-JTQLQIEISA-N 1 0 286.759 2.841 20 5 CFBDRO CCOc1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928205 394206257 /nfs/dbraw/zinc/20/62/57/394206257.db2.gz GQMKYXMDIMDGQY-NEPJUHHUSA-N 1 0 293.367 2.888 20 5 CFBDRO Cc1ccc(C[NH2+]CCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421378747 394209144 /nfs/dbraw/zinc/20/91/44/394209144.db2.gz TUBNLSNVVZXXDV-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO CCN(CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449111774 394216212 /nfs/dbraw/zinc/21/62/12/394216212.db2.gz NXBMBWBMAHUOJL-CYBMUJFWSA-N 1 0 291.395 2.600 20 5 CFBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000290777102 394233517 /nfs/dbraw/zinc/23/35/17/394233517.db2.gz MKNIZGHAHRRKQO-GJZGRUSLSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000449164984 394237205 /nfs/dbraw/zinc/23/72/05/394237205.db2.gz SFPWHXHZMZPSEH-UPJWGTAASA-N 1 0 280.368 2.522 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173483 394240909 /nfs/dbraw/zinc/24/09/09/394240909.db2.gz LIHLPCKXDLLESJ-KBPBESRZSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000449174837 394241857 /nfs/dbraw/zinc/24/18/57/394241857.db2.gz NDDUQFWVKYTCQH-KCXAZCMYSA-N 1 0 292.379 2.667 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449177769 394242238 /nfs/dbraw/zinc/24/22/38/394242238.db2.gz TVRZDDJUNYOVLL-SWLSCSKDSA-N 1 0 280.368 2.786 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449195323 394248752 /nfs/dbraw/zinc/24/87/52/394248752.db2.gz UVHLNRKBMHWJPX-RISCZKNCSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(C)(C)C ZINC000449212506 394253883 /nfs/dbraw/zinc/25/38/83/394253883.db2.gz SYUAEWNKCJTZFC-JSGCOSHPSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCCC1 ZINC000449253233 394269560 /nfs/dbraw/zinc/26/95/60/394269560.db2.gz XRJBKYCDFBSDDF-CYBMUJFWSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292672 394281898 /nfs/dbraw/zinc/28/18/98/394281898.db2.gz ZHBLDEDSDAVPNS-GXFFZTMASA-N 1 0 298.770 2.984 20 5 CFBDRO CC(C)c1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000423677930 394307630 /nfs/dbraw/zinc/30/76/30/394307630.db2.gz IDGFREIYHUUYIV-LLVKDONJSA-N 1 0 293.367 2.575 20 5 CFBDRO CCOc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000494239538 394346100 /nfs/dbraw/zinc/34/61/00/394346100.db2.gz YCEOIWIMRVHMRI-XHDPSFHLSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000157961924 394352743 /nfs/dbraw/zinc/35/27/43/394352743.db2.gz NGWHVIDSQJJPQQ-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158174785 394355102 /nfs/dbraw/zinc/35/51/02/394355102.db2.gz DKERQGRKQQGHCD-KBPBESRZSA-N 1 0 291.395 2.896 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](C)O ZINC000453326583 394386181 /nfs/dbraw/zinc/38/61/81/394386181.db2.gz NMPONXDFUXUAEK-ONERCXAPSA-N 1 0 278.352 2.721 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453351275 394389314 /nfs/dbraw/zinc/38/93/14/394389314.db2.gz PRNUBZPAHKLYNM-NWDGAFQWSA-N 1 0 288.351 2.610 20 5 CFBDRO CSCC[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537962490 394596164 /nfs/dbraw/zinc/59/61/64/394596164.db2.gz BFEYGEDQELCJAH-NWDGAFQWSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000543793574 394743785 /nfs/dbraw/zinc/74/37/85/394743785.db2.gz MGHPAZICPLJKTI-CYBMUJFWSA-N 1 0 292.383 2.749 20 5 CFBDRO Cc1c(NC(=O)CC[NH+]2[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000548096289 394909586 /nfs/dbraw/zinc/90/95/86/394909586.db2.gz QKDPLFXUTPILCO-QWRGUYRKSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1c(NC(=O)CC[NH+]2[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000548096285 394909892 /nfs/dbraw/zinc/90/98/92/394909892.db2.gz QKDPLFXUTPILCO-GHMZBOCLSA-N 1 0 291.351 2.715 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCO2)CC1 ZINC000558626867 395067032 /nfs/dbraw/zinc/06/70/32/395067032.db2.gz HLMUPQBBSXOKIE-GFCCVEGCSA-N 1 0 276.336 2.911 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCO)CCCC2)cc1 ZINC000266654397 296504069 /nfs/dbraw/zinc/50/40/69/296504069.db2.gz ZWZBSGDPXNJLTC-UHFFFAOYSA-N 1 0 278.352 2.627 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000356357441 155238271 /nfs/dbraw/zinc/23/82/71/155238271.db2.gz FXISKQUBXUWABK-SWLSCSKDSA-N 1 0 292.379 2.886 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356746431 155350982 /nfs/dbraw/zinc/35/09/82/155350982.db2.gz QXCSUINNBLIHKM-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356848708 155392962 /nfs/dbraw/zinc/39/29/62/155392962.db2.gz OTJUKYHLMURVFR-VXGBXAGGSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000356850385 155395190 /nfs/dbraw/zinc/39/51/90/155395190.db2.gz QFKYTOHMMLNNAY-TZMCWYRMSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420306697 292296316 /nfs/dbraw/zinc/29/63/16/292296316.db2.gz AUEBHYAGZOJQOJ-MELADBBJSA-N 1 0 289.379 2.506 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000343318927 154174548 /nfs/dbraw/zinc/17/45/48/154174548.db2.gz LANYYTIJNFFQHX-UHFFFAOYSA-N 1 0 276.292 2.699 20 5 CFBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348148137 154340688 /nfs/dbraw/zinc/34/06/88/154340688.db2.gz QWVWGZXXZSYNIA-MNOVXSKESA-N 1 0 282.315 2.639 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348258621 154384381 /nfs/dbraw/zinc/38/43/81/154384381.db2.gz XRLUNUQGLQCDIH-CJNGLKHVSA-N 1 0 292.379 2.826 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348268270 154388428 /nfs/dbraw/zinc/38/84/28/154388428.db2.gz DNVKUXCCOZYXJX-BKDNQFJXSA-N 1 0 256.252 2.899 20 5 CFBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354395334 154697501 /nfs/dbraw/zinc/69/75/01/154697501.db2.gz DLXQNLDTCHITNW-OLZOCXBDSA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000355781381 155085413 /nfs/dbraw/zinc/08/54/13/155085413.db2.gz WWONNOBWGATARY-ONGXEEELSA-N 1 0 270.354 2.561 20 5 CFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000362977668 156134673 /nfs/dbraw/zinc/13/46/73/156134673.db2.gz SSDLMBLIBQWKCH-QMTHXVAHSA-N 1 0 284.331 2.885 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367065818 156275085 /nfs/dbraw/zinc/27/50/85/156275085.db2.gz HDUDFPOLYFDQBH-OAHLLOKOSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC23CCOCC3)cc1F ZINC000367292480 156309372 /nfs/dbraw/zinc/30/93/72/156309372.db2.gz SCSSUKYQFPTNJZ-UHFFFAOYSA-N 1 0 294.326 2.879 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000369956418 156632720 /nfs/dbraw/zinc/63/27/20/156632720.db2.gz BOALOKYCCQYAQO-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000374675976 157146536 /nfs/dbraw/zinc/14/65/36/157146536.db2.gz GHHNHXPLJULFMY-CYBMUJFWSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CC2)C1 ZINC000408175137 157384162 /nfs/dbraw/zinc/38/41/62/157384162.db2.gz QLFIDMRKXNJITJ-GFCCVEGCSA-N 1 0 276.336 2.768 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000344360224 162023657 /nfs/dbraw/zinc/02/36/57/162023657.db2.gz AICTURJARWSREX-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344410924 162036657 /nfs/dbraw/zinc/03/66/57/162036657.db2.gz PMEWTKNDOHNSOI-LYASGUKUSA-N 1 0 278.352 2.749 20 5 CFBDRO COC1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000344597838 162075160 /nfs/dbraw/zinc/07/51/60/162075160.db2.gz AHCQUQNFKSPAHZ-UHFFFAOYSA-N 1 0 284.381 2.951 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCSC1 ZINC000344756371 162114215 /nfs/dbraw/zinc/11/42/15/162114215.db2.gz IEOZEWLZVNEDOZ-KTLBGCOUSA-N 1 0 264.350 2.703 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(C)n1 ZINC000344792787 162124023 /nfs/dbraw/zinc/12/40/23/162124023.db2.gz LPGJCRKTUQWADK-WQLSENKSSA-N 1 0 286.335 2.521 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC1 ZINC000344819616 162128858 /nfs/dbraw/zinc/12/88/58/162128858.db2.gz GRMNQMRUKBZGBS-GMMCIKNFSA-N 1 0 276.336 2.624 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H](C)CO ZINC000344830328 162130026 /nfs/dbraw/zinc/13/00/26/162130026.db2.gz LSJXOIBVPKWWIA-OZYJXZHSSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[C@@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344857537 162134688 /nfs/dbraw/zinc/13/46/88/162134688.db2.gz MDOIINJKGPBPII-LDCOFTPGSA-N 1 0 278.352 2.749 20 5 CFBDRO COCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344856883 162136527 /nfs/dbraw/zinc/13/65/27/162136527.db2.gz NHVFAMBOBGRQRZ-XFXZXTDPSA-N 1 0 264.325 2.624 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)C(C)C ZINC000344892273 162142981 /nfs/dbraw/zinc/14/29/81/162142981.db2.gz XNISSDFHEFDVEK-UVTDQMKNSA-N 1 0 291.395 2.928 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(F)cn1 ZINC000344910826 162146554 /nfs/dbraw/zinc/14/65/54/162146554.db2.gz WZMRFHHLNLRVGU-HWKANZROSA-N 1 0 287.294 2.932 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000346115327 162320874 /nfs/dbraw/zinc/32/08/74/162320874.db2.gz WWEBCDVPNKPGIW-YPMHNXCESA-N 1 0 266.341 2.571 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000346163283 162336106 /nfs/dbraw/zinc/33/61/06/162336106.db2.gz LSZAJWMPOSBXPU-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO [NH3+]CCN(Cc1ccc(Cl)o1)c1ccccc1[N+](=O)[O-] ZINC000348904374 162919371 /nfs/dbraw/zinc/91/93/71/162919371.db2.gz LRQGYDNHVANKPO-UHFFFAOYSA-N 1 0 295.726 2.807 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000349383532 162976119 /nfs/dbraw/zinc/97/61/19/162976119.db2.gz VFERCPILQUENJU-JLHXHDPKSA-N 1 0 278.352 2.963 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(C)o1 ZINC000350313372 163071564 /nfs/dbraw/zinc/07/15/64/163071564.db2.gz ZMJBWVKPUIJUGN-UHFFFAOYSA-N 1 0 293.298 2.671 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCF)CC2 ZINC000351878037 163209394 /nfs/dbraw/zinc/20/93/94/163209394.db2.gz QYQNKSHBCQBENG-UHFFFAOYSA-N 1 0 252.289 2.703 20 5 CFBDRO COc1cc(C[N@H+](C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000352776315 163232682 /nfs/dbraw/zinc/23/26/82/163232682.db2.gz BSMSYHXHCQUFOH-LLVKDONJSA-N 1 0 282.365 2.541 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000352885815 163261883 /nfs/dbraw/zinc/26/18/83/163261883.db2.gz DQDNYLMODLDWPH-UHFFFAOYSA-N 1 0 291.395 2.903 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000353032690 163293334 /nfs/dbraw/zinc/29/33/34/163293334.db2.gz HIRHBKOYSYDLJW-ZYHUDNBSSA-N 1 0 266.366 2.744 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000353091772 163305709 /nfs/dbraw/zinc/30/57/09/163305709.db2.gz HXBFVHQAMUARBM-CYBMUJFWSA-N 1 0 279.384 2.805 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353093613 163307043 /nfs/dbraw/zinc/30/70/43/163307043.db2.gz MKFCKPMBTUSERF-NSHDSACASA-N 1 0 283.347 2.552 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H]1C ZINC000353116534 163309192 /nfs/dbraw/zinc/30/91/92/163309192.db2.gz GWEDLUQXNYRIIW-GWCFXTLKSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CC1 ZINC000353514747 163381899 /nfs/dbraw/zinc/38/18/99/163381899.db2.gz UZRVJJFJPUWMGE-SWLSCSKDSA-N 1 0 292.379 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCC(O)CC2)cc1 ZINC000353622603 163411104 /nfs/dbraw/zinc/41/11/04/163411104.db2.gz OLMIJFBHCMPMLO-UHFFFAOYSA-N 1 0 292.379 2.811 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)C1CC1)CCC2 ZINC000353862756 163469984 /nfs/dbraw/zinc/46/99/84/163469984.db2.gz TVWOFTVPYXQBSN-BBRMVZONSA-N 1 0 290.363 2.580 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(O)CCC2)c(Cl)c1 ZINC000284165365 195994152 /nfs/dbraw/zinc/99/41/52/195994152.db2.gz WPMJVXFNLGCXSK-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284315120 196029016 /nfs/dbraw/zinc/02/90/16/196029016.db2.gz ASEVYDITPGAFOA-GJZGRUSLSA-N 1 0 276.336 2.738 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000284428969 196053377 /nfs/dbraw/zinc/05/33/77/196053377.db2.gz REZAZVBKCATQGD-ZDUSSCGKSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H]([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000020360737 171159605 /nfs/dbraw/zinc/15/96/05/171159605.db2.gz HYBPVBVFMUXYMU-GFCCVEGCSA-N 1 0 274.324 2.532 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000021821777 171334621 /nfs/dbraw/zinc/33/46/21/171334621.db2.gz QCIMHMBDLOOSAF-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285020950 196180335 /nfs/dbraw/zinc/18/03/35/196180335.db2.gz HKVVDJTXTJYSPZ-RKDXNWHRSA-N 1 0 269.370 2.579 20 5 CFBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285134542 196204326 /nfs/dbraw/zinc/20/43/26/196204326.db2.gz LOTKKTBVCFEFHI-JTQLQIEISA-N 1 0 281.356 2.643 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC(O)CC2)c1 ZINC000035368110 172159502 /nfs/dbraw/zinc/15/95/02/172159502.db2.gz UOORMHXFWTXVBN-UHFFFAOYSA-N 1 0 284.743 2.641 20 5 CFBDRO Cc1ccncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285206924 196220679 /nfs/dbraw/zinc/22/06/79/196220679.db2.gz DHRGVLSFNNIXIH-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000285248510 196231445 /nfs/dbraw/zinc/23/14/45/196231445.db2.gz HAAYIEBHKBTKKO-AWEZNQCLSA-N 1 0 278.352 2.638 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000285298359 196244988 /nfs/dbraw/zinc/24/49/88/196244988.db2.gz KYCWYCSKQSANGN-AWEZNQCLSA-N 1 0 278.352 2.638 20 5 CFBDRO CCC[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285566596 196329841 /nfs/dbraw/zinc/32/98/41/196329841.db2.gz NLNUEZIZPLBTHA-HNNXBMFYSA-N 1 0 278.352 2.686 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000285613005 196343783 /nfs/dbraw/zinc/34/37/83/196343783.db2.gz VYNUBEFYQYYBEP-TZMCWYRMSA-N 1 0 278.352 2.665 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC000285624380 196348143 /nfs/dbraw/zinc/34/81/43/196348143.db2.gz QVZPXJXCPGJHDW-DGCLKSJQSA-N 1 0 295.408 2.715 20 5 CFBDRO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037166546 173000919 /nfs/dbraw/zinc/00/09/19/173000919.db2.gz XNANIHABCGXUGD-AWEZNQCLSA-N 1 0 279.384 2.661 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000285695181 196368743 /nfs/dbraw/zinc/36/87/43/196368743.db2.gz VPUUMTGNEHJYSU-XJKSGUPXSA-N 1 0 289.379 2.653 20 5 CFBDRO Cc1ccc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000037401051 173178126 /nfs/dbraw/zinc/17/81/26/173178126.db2.gz ZILDXGADIACFAX-UHFFFAOYSA-N 1 0 265.357 2.903 20 5 CFBDRO CC(C)[NH+](CCNCc1csc([N+](=O)[O-])c1)C(C)C ZINC000037562412 173272845 /nfs/dbraw/zinc/27/28/45/173272845.db2.gz ZQGFMTZTZSGNCY-UHFFFAOYSA-N 1 0 285.413 2.865 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038044379 174051989 /nfs/dbraw/zinc/05/19/89/174051989.db2.gz GPUGVDJDKRNATP-STQMWFEESA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000038089161 174102375 /nfs/dbraw/zinc/10/23/75/174102375.db2.gz VJXIYBDMEJFFKN-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596409 175076446 /nfs/dbraw/zinc/07/64/46/175076446.db2.gz MHTIHNYMZPKLNY-UHFFFAOYSA-N 1 0 288.145 2.508 20 5 CFBDRO Cc1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000044526310 175191426 /nfs/dbraw/zinc/19/14/26/175191426.db2.gz PFRKCMYYXXEFFK-UHFFFAOYSA-N 1 0 263.341 2.657 20 5 CFBDRO CC[NH+]1CCC(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000044526359 175191595 /nfs/dbraw/zinc/19/15/95/175191595.db2.gz ZXLHCCWKTROIFF-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000044572466 175209894 /nfs/dbraw/zinc/20/98/94/175209894.db2.gz NFTMEQZMXLVILF-LLVKDONJSA-N 1 0 251.330 2.737 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000071207321 176080997 /nfs/dbraw/zinc/08/09/97/176080997.db2.gz KWCCBFYJVCDJLI-JQWIXIFHSA-N 1 0 264.325 2.882 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000071377550 176142793 /nfs/dbraw/zinc/14/27/93/176142793.db2.gz MNHLSUMEUBZBPQ-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000071954228 176304576 /nfs/dbraw/zinc/30/45/76/176304576.db2.gz TXWTUPZHLIBSJH-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO CSC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000076768798 177086750 /nfs/dbraw/zinc/08/67/50/177086750.db2.gz FSQOJJDIVBEQKQ-SNVBAGLBSA-N 1 0 254.355 2.744 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000077204453 177233114 /nfs/dbraw/zinc/23/31/14/177233114.db2.gz YXIUELKDUFTAJW-UKRRQHHQSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000393663483 270308088 /nfs/dbraw/zinc/30/80/88/270308088.db2.gz ZVPGKKIQIMOGPA-UHFFFAOYSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC12CC2 ZINC000418089229 228024641 /nfs/dbraw/zinc/02/46/41/228024641.db2.gz BTIIYLAOYOCOFA-DXTPNHAXSA-N 1 0 258.321 2.998 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC2C[NH+](Cc3ccccc3)C2)nc1 ZINC000716221087 782030747 /nfs/dbraw/zinc/03/07/47/782030747.db2.gz JVAFKSZVKMMHPG-UHFFFAOYSA-N 1 0 298.346 2.534 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000313174266 260255737 /nfs/dbraw/zinc/25/57/37/260255737.db2.gz XYSMCODHXLLAAF-GDLCADMTSA-N 1 0 266.341 2.795 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152688467 261067852 /nfs/dbraw/zinc/06/78/52/261067852.db2.gz AMMXTXOHDXLYKR-BETUJISGSA-N 1 0 276.336 2.706 20 5 CFBDRO C[C@H]([NH2+]CCCOC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000194033452 270242004 /nfs/dbraw/zinc/24/20/04/270242004.db2.gz QUWXTUJDWXZNQI-VIFPVBQESA-N 1 0 274.267 2.875 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308364996 270288699 /nfs/dbraw/zinc/28/86/99/270288699.db2.gz KGQLBNPEWPPHFK-LSDHHAIUSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000395961598 270314433 /nfs/dbraw/zinc/31/44/33/270314433.db2.gz TWOJQXNDRNEVKE-LBPRGKRZSA-N 1 0 278.352 2.716 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000396534322 270315298 /nfs/dbraw/zinc/31/52/98/270315298.db2.gz IPMUUXYDLSQUNQ-QWRGUYRKSA-N 1 0 264.325 2.813 20 5 CFBDRO C[NH+](C)C1(CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000397764427 270319124 /nfs/dbraw/zinc/31/91/24/270319124.db2.gz JLOOBBRLNAHFQR-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000398045095 270321253 /nfs/dbraw/zinc/32/12/53/270321253.db2.gz ARALJEQOQITWPC-CABZTGNLSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]1C[C@H](C)N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000514683300 270349340 /nfs/dbraw/zinc/34/93/40/270349340.db2.gz RVLKCKGPONSXLT-OCAPTIKFSA-N 1 0 256.252 2.856 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000516168843 270378437 /nfs/dbraw/zinc/37/84/37/270378437.db2.gz IGXAIYGPXOTJLD-CQSZACIVSA-N 1 0 295.770 2.828 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000516168842 270378511 /nfs/dbraw/zinc/37/85/11/270378511.db2.gz IGXAIYGPXOTJLD-AWEZNQCLSA-N 1 0 295.770 2.828 20 5 CFBDRO CC(C)[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278793784 273544810 /nfs/dbraw/zinc/54/48/10/273544810.db2.gz QOPFEQVUOVMZQQ-LSDHHAIUSA-N 1 0 278.352 2.579 20 5 CFBDRO C[NH+](C)C1(CNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000097934168 273791862 /nfs/dbraw/zinc/79/18/62/273791862.db2.gz UHVYPRATYFILMK-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000507175083 274023765 /nfs/dbraw/zinc/02/37/65/274023765.db2.gz UQLFPEWDRIOEFI-GQCTYLIASA-N 1 0 276.336 2.719 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290043358 274075875 /nfs/dbraw/zinc/07/58/75/274075875.db2.gz DQOKJJNODGZWPV-YNEHKIRRSA-N 1 0 280.368 2.929 20 5 CFBDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332333555 274307844 /nfs/dbraw/zinc/30/78/44/274307844.db2.gz VJTFMKDNIPHCPZ-HFBAOOFYSA-N 1 0 289.379 2.560 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123606661 274386760 /nfs/dbraw/zinc/38/67/60/274386760.db2.gz ZNXXPJCGUUGXDV-NEPJUHHUSA-N 1 0 295.358 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000217363193 275037136 /nfs/dbraw/zinc/03/71/36/275037136.db2.gz XHQPNVFOJJIBBH-KBPBESRZSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCO1)CCC2 ZINC000192596006 275038278 /nfs/dbraw/zinc/03/82/78/275038278.db2.gz RPXIRHJMBPVNRH-UKRRQHHQSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414957022 275039874 /nfs/dbraw/zinc/03/98/74/275039874.db2.gz PESWQIWJHCXNNJ-INIZCTEOSA-N 1 0 297.358 2.571 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347108086 276053280 /nfs/dbraw/zinc/05/32/80/276053280.db2.gz MJHDHQOYPXAPEB-WFASDCNBSA-N 1 0 291.395 2.887 20 5 CFBDRO CC[NH+](CC)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176949 276097509 /nfs/dbraw/zinc/09/75/09/276097509.db2.gz ILZWUDOPCOXUFT-ZDUSSCGKSA-N 1 0 279.384 2.977 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000185173204 276118423 /nfs/dbraw/zinc/11/84/23/276118423.db2.gz MQWKOGSNMJOSTG-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000266184493 276120745 /nfs/dbraw/zinc/12/07/45/276120745.db2.gz DBXUXBPIJWKLAR-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@H]1CCCO1 ZINC000290009429 276133856 /nfs/dbraw/zinc/13/38/56/276133856.db2.gz ZNHPUEVZILXIFM-HUUCEWRRSA-N 1 0 290.363 2.984 20 5 CFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000172053334 276134370 /nfs/dbraw/zinc/13/43/70/276134370.db2.gz ZQMYIIFRVZMXOE-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCC[C@@H]1C ZINC000444672558 276139906 /nfs/dbraw/zinc/13/99/06/276139906.db2.gz HDFXKGZZFDGVII-NWDGAFQWSA-N 1 0 280.372 2.729 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000159099621 276422397 /nfs/dbraw/zinc/42/23/97/276422397.db2.gz SEKIZRAXTXSPOM-LSDHHAIUSA-N 1 0 292.379 2.667 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000365406411 276831978 /nfs/dbraw/zinc/83/19/78/276831978.db2.gz OMDKKRIUZLZMNM-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO C[NH2+][C@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000262111002 277041968 /nfs/dbraw/zinc/04/19/68/277041968.db2.gz WLHYSWHQXBCKBT-AWEZNQCLSA-N 1 0 291.395 2.902 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000342930549 277042419 /nfs/dbraw/zinc/04/24/19/277042419.db2.gz HWJSSLQQZCNQRE-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272215434 277178272 /nfs/dbraw/zinc/17/82/72/277178272.db2.gz QZQYNXRBEOSOIH-HZMBPMFUSA-N 1 0 295.770 2.779 20 5 CFBDRO COCCC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230863332 277202445 /nfs/dbraw/zinc/20/24/45/277202445.db2.gz CHCNBRJPXFKIOT-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425956906 278036350 /nfs/dbraw/zinc/03/63/50/278036350.db2.gz GJNAUKNUNZEQNB-TZMCWYRMSA-N 1 0 292.379 2.921 20 5 CFBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447596436 278218226 /nfs/dbraw/zinc/21/82/26/278218226.db2.gz BZEOXROCCYAMQY-JRPNMDOOSA-N 1 0 278.352 2.721 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1CO ZINC000449157753 278220857 /nfs/dbraw/zinc/22/08/57/278220857.db2.gz QYOJNUVTGKVSAD-YUELXQCFSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245461896 278347110 /nfs/dbraw/zinc/34/71/10/278347110.db2.gz NLCKJXINWHXFKK-UONOGXRCSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000358357647 278366803 /nfs/dbraw/zinc/36/68/03/278366803.db2.gz QYTXWQSXCSQYEE-PSASIEDQSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000183341692 278369767 /nfs/dbraw/zinc/36/97/67/278369767.db2.gz ZCFJYGOIKNTZBF-DGCLKSJQSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252213851 278483645 /nfs/dbraw/zinc/48/36/45/278483645.db2.gz XCNLGZVYACCRGY-YGRLFVJLSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286490303 278536614 /nfs/dbraw/zinc/53/66/14/278536614.db2.gz RIAOBHMQXQJCDJ-AAEUAGOBSA-N 1 0 293.342 2.797 20 5 CFBDRO Cc1c[nH+]ccc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000359546363 279027532 /nfs/dbraw/zinc/02/75/32/279027532.db2.gz LDKWOOHDETWVID-UHFFFAOYSA-N 1 0 269.304 2.861 20 5 CFBDRO C[C@H](CO)[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000280565047 279357939 /nfs/dbraw/zinc/35/79/39/279357939.db2.gz RNPRXLZEGPJHKA-GFCCVEGCSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]([NH2+]C1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000020526025 279453711 /nfs/dbraw/zinc/45/37/11/279453711.db2.gz HATHPBOTDCUTIA-UNXYVOJBSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296040302 279524636 /nfs/dbraw/zinc/52/46/36/279524636.db2.gz NYUTWSQFHMKELA-GBIKHYSHSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492193088 280111267 /nfs/dbraw/zinc/11/12/67/280111267.db2.gz MFZFQBAQWOADNH-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H](F)C2)n1 ZINC000348331305 280377390 /nfs/dbraw/zinc/37/73/90/280377390.db2.gz VOPPKAIOTDFRGE-FVCCEPFGSA-N 1 0 296.346 2.755 20 5 CFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000072926604 280491002 /nfs/dbraw/zinc/49/10/02/280491002.db2.gz VGXWVUPOWBVGTB-HIFRSBDPSA-N 1 0 278.352 2.888 20 5 CFBDRO CSCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076764647 280520941 /nfs/dbraw/zinc/52/09/41/280520941.db2.gz PGUKFDVOKLCFFP-UHFFFAOYSA-N 1 0 254.355 2.828 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000271528413 281022809 /nfs/dbraw/zinc/02/28/09/281022809.db2.gz WEBVLZOLNIAMJW-STQMWFEESA-N 1 0 288.351 2.839 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251230554 281072106 /nfs/dbraw/zinc/07/21/06/281072106.db2.gz BEICYZFPTKDMJZ-MPKXVKKWSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278623035 281128429 /nfs/dbraw/zinc/12/84/29/281128429.db2.gz HKPRKHHDJMVTAQ-UHFFFAOYSA-N 1 0 276.340 2.997 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000278928897 281129198 /nfs/dbraw/zinc/12/91/98/281129198.db2.gz XDXCCAWZTJBZIL-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1c(C[NH2+][C@H]2COC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000396796093 281197870 /nfs/dbraw/zinc/19/78/70/281197870.db2.gz FFFDNQNWFPSSMI-GFCCVEGCSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1cc(NCC2=CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397733823 281201690 /nfs/dbraw/zinc/20/16/90/281201690.db2.gz FCYVRNMJQJEMCR-UHFFFAOYSA-N 1 0 299.330 2.632 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000398139493 281204060 /nfs/dbraw/zinc/20/40/60/281204060.db2.gz YWVHXJWOLUDIAA-JTNHKYCSSA-N 1 0 264.325 2.813 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000430238493 281232589 /nfs/dbraw/zinc/23/25/89/281232589.db2.gz KMLKFMUHHACXEN-QWRGUYRKSA-N 1 0 264.325 2.691 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000430238492 281232684 /nfs/dbraw/zinc/23/26/84/281232684.db2.gz KMLKFMUHHACXEN-PHIMTYICSA-N 1 0 264.325 2.691 20 5 CFBDRO COc1ccc(C[NH+]2C3CCC2CC3)cc1[N+](=O)[O-] ZINC000515541056 281294617 /nfs/dbraw/zinc/29/46/17/281294617.db2.gz KUFJQKDEEXICCI-UHFFFAOYSA-N 1 0 262.309 2.730 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000530676121 281428413 /nfs/dbraw/zinc/42/84/13/281428413.db2.gz PECVZUFTVQPTMO-NEPJUHHUSA-N 1 0 293.367 2.888 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000538394819 281552699 /nfs/dbraw/zinc/55/26/99/281552699.db2.gz QGEODZXUCUNJAT-NILFDRSVSA-N 1 0 292.379 2.786 20 5 CFBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539086780 281566099 /nfs/dbraw/zinc/56/60/99/281566099.db2.gz LVMIHYNJNVOFMI-CHWSQXEVSA-N 1 0 296.367 2.605 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2OCC)cc1[N+](=O)[O-] ZINC000556078745 281926346 /nfs/dbraw/zinc/92/63/46/281926346.db2.gz ZJIGFISVPTZTNO-ITDIGPHOSA-N 1 0 294.351 2.822 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000556152243 281928049 /nfs/dbraw/zinc/92/80/49/281928049.db2.gz UAZXOBVPEPPUOX-CLLJXQQHSA-N 1 0 294.351 2.519 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558699545 281992594 /nfs/dbraw/zinc/99/25/94/281992594.db2.gz VJSZQKSQBFKXTR-MJBXVCDLSA-N 1 0 260.337 2.916 20 5 CFBDRO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000336846964 292694239 /nfs/dbraw/zinc/69/42/39/292694239.db2.gz CFLZGSYDTVFIGG-TZMCWYRMSA-N 1 0 296.367 2.605 20 5 CFBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000376677792 289901841 /nfs/dbraw/zinc/90/18/41/289901841.db2.gz DOVHDTIBWGJVNA-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000563122746 290105699 /nfs/dbraw/zinc/10/56/99/290105699.db2.gz PDLIHASINWWLGM-VXGBXAGGSA-N 1 0 282.315 2.974 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417195 290146445 /nfs/dbraw/zinc/14/64/45/290146445.db2.gz JRRMVGNDHJWNTN-SKDRFNHKSA-N 1 0 266.366 2.923 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000563420751 290147876 /nfs/dbraw/zinc/14/78/76/290147876.db2.gz XPMYUDQHUXSZMA-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375235842 290233846 /nfs/dbraw/zinc/23/38/46/290233846.db2.gz WYSZUHNUPXRYSY-IINYFYTJSA-N 1 0 295.770 2.779 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCNc1ccccn1 ZINC000565214364 290282485 /nfs/dbraw/zinc/28/24/85/290282485.db2.gz FWPMGJBMVLRDCG-AWEZNQCLSA-N 1 0 298.346 2.679 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCNc1ccccn1 ZINC000565214365 290282714 /nfs/dbraw/zinc/28/27/14/290282714.db2.gz FWPMGJBMVLRDCG-CQSZACIVSA-N 1 0 298.346 2.679 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCC1(O)CCC1 ZINC000565218487 290283944 /nfs/dbraw/zinc/28/39/44/290283944.db2.gz OLASVNIJNBYPBN-AWEZNQCLSA-N 1 0 290.363 2.867 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000357996706 292802243 /nfs/dbraw/zinc/80/22/43/292802243.db2.gz SJQBBUMKBBLZKU-CYBMUJFWSA-N 1 0 266.341 2.746 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)O1 ZINC000566475155 290391158 /nfs/dbraw/zinc/39/11/58/290391158.db2.gz KQYNWHXMOJFEQX-RTWAVKEYSA-N 1 0 290.363 2.985 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCCCC1 ZINC000566478199 290392224 /nfs/dbraw/zinc/39/22/24/290392224.db2.gz IPBQSLHJPQRBJA-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123539 290441272 /nfs/dbraw/zinc/44/12/72/290441272.db2.gz LJAHRGOUJNKDOD-GBIKHYSHSA-N 1 0 264.325 2.595 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000568472431 290554617 /nfs/dbraw/zinc/55/46/17/290554617.db2.gz UUOOYLKXVQCYDI-GHMZBOCLSA-N 1 0 297.330 2.650 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290292994 293463416 /nfs/dbraw/zinc/46/34/16/293463416.db2.gz YDTMLKWXRKLSNV-VWYCJHECSA-N 1 0 252.314 2.669 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000134241043 301787992 /nfs/dbraw/zinc/78/79/92/301787992.db2.gz QDIYQLPYJOIJLZ-DMDPSCGWSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000112074964 302040188 /nfs/dbraw/zinc/04/01/88/302040188.db2.gz IIEKQOXIEXIGCQ-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301091034 304800632 /nfs/dbraw/zinc/80/06/32/304800632.db2.gz KWJCPOJWHFYCPE-ZDUSSCGKSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000189080128 304807707 /nfs/dbraw/zinc/80/77/07/304807707.db2.gz LTRXZRIHDWACEF-ZDUSSCGKSA-N 1 0 275.352 2.659 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324267453 322438130 /nfs/dbraw/zinc/43/81/30/322438130.db2.gz DRRLIDFMTHRGRT-CQSZACIVSA-N 1 0 264.325 2.752 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570941299 322561190 /nfs/dbraw/zinc/56/11/90/322561190.db2.gz KLBOZUATDFHAPE-CYBMUJFWSA-N 1 0 278.352 2.844 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000572642259 322626588 /nfs/dbraw/zinc/62/65/88/322626588.db2.gz VZBWIMUDYFJERM-NTZNESFSSA-N 1 0 294.351 2.822 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCC1CCC1 ZINC000573263053 322650181 /nfs/dbraw/zinc/65/01/81/322650181.db2.gz PTCLXJOLYUCMKV-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1c[nH+]ccc1NCCNc1ccccc1[N+](=O)[O-] ZINC000191977465 324055829 /nfs/dbraw/zinc/05/58/29/324055829.db2.gz KIIAKMLCTWYXSD-UHFFFAOYSA-N 1 0 272.308 2.822 20 5 CFBDRO Cc1c[nH+]ccc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000195348237 324105667 /nfs/dbraw/zinc/10/56/67/324105667.db2.gz HQCVPRPLGVXSIL-UHFFFAOYSA-N 1 0 257.293 2.935 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000349420069 324173555 /nfs/dbraw/zinc/17/35/55/324173555.db2.gz DIOLEJPDIXIKLT-YKEDUJKTSA-N 1 0 278.352 2.881 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351145681 324326896 /nfs/dbraw/zinc/32/68/96/324326896.db2.gz KBIKWNDHDKHIIA-IUCAKERBSA-N 1 0 292.295 2.611 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385604011 324463303 /nfs/dbraw/zinc/46/33/03/324463303.db2.gz FDJJCQNPULYXKA-GIPNMCIBSA-N 1 0 264.325 2.738 20 5 CFBDRO Cc1c(CN[C@H](C)[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000386075726 324472960 /nfs/dbraw/zinc/47/29/60/324472960.db2.gz GBSLATCDMWJJNK-TZMCWYRMSA-N 1 0 277.368 2.523 20 5 CFBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000576121957 324581042 /nfs/dbraw/zinc/58/10/42/324581042.db2.gz SIZNUEMPFIRYPF-DZGCQCFKSA-N 1 0 276.336 2.598 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578026571 324809616 /nfs/dbraw/zinc/80/96/16/324809616.db2.gz YFGUXBIWEJDZBS-PEYYIBSZSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449403 325038093 /nfs/dbraw/zinc/03/80/93/325038093.db2.gz OWVKCGXAECSZNA-RISCZKNCSA-N 1 0 278.352 2.580 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000581097756 325089732 /nfs/dbraw/zinc/08/97/32/325089732.db2.gz ONAVBTBRWWHHGB-STQMWFEESA-N 1 0 278.352 2.980 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581498724 325127350 /nfs/dbraw/zinc/12/73/50/325127350.db2.gz IDOMWJFOQMUEGC-MFKMUULPSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581499153 325127423 /nfs/dbraw/zinc/12/74/23/325127423.db2.gz VHUFDSKFRLWCAP-SWHYSGLUSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000582115268 325176895 /nfs/dbraw/zinc/17/68/95/325176895.db2.gz GUCKYNGRUCYFPA-DGCLKSJQSA-N 1 0 279.384 2.752 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CCC23CCC3)c([N+](=O)[O-])c1 ZINC000584206965 325337262 /nfs/dbraw/zinc/33/72/62/325337262.db2.gz BSYRLGAHFVMRMB-UHFFFAOYSA-N 1 0 292.335 2.611 20 5 CFBDRO CC[NH2+]CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584285659 325343579 /nfs/dbraw/zinc/34/35/79/325343579.db2.gz ZKOPWFYEXNDFOD-GFCCVEGCSA-N 1 0 265.357 2.553 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000384745721 336130114 /nfs/dbraw/zinc/13/01/14/336130114.db2.gz MAPALEGZOKXSGA-SUZMYJTESA-N 1 0 264.325 2.559 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)nc1Cl ZINC001154984764 782133960 /nfs/dbraw/zinc/13/39/60/782133960.db2.gz IMSBWAIRHFKEEO-IUCAKERBSA-N 1 0 284.747 2.633 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224460630 520776428 /nfs/dbraw/zinc/77/64/28/520776428.db2.gz YJKXMAKKEREVBB-VXGBXAGGSA-N 1 0 288.294 2.652 20 5 CFBDRO CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000049480642 521486164 /nfs/dbraw/zinc/48/61/64/521486164.db2.gz XTCWGEBCYSOMLD-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(C)C ZINC000425994887 533943798 /nfs/dbraw/zinc/94/37/98/533943798.db2.gz ITQCZFNLQIJIFH-ONGXEEELSA-N 1 0 288.351 2.995 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414509396 534064451 /nfs/dbraw/zinc/06/44/51/534064451.db2.gz CJCWJSNNHYKUAN-OBJOEFQTSA-N 1 0 278.352 2.806 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000414663475 534342677 /nfs/dbraw/zinc/34/26/77/534342677.db2.gz SESJAKJUKORYAL-LLVKDONJSA-N 1 0 294.355 2.542 20 5 CFBDRO Cc1ccncc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000280203674 534415763 /nfs/dbraw/zinc/41/57/63/534415763.db2.gz HWRUVMOMTWUITJ-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000084440212 520372438 /nfs/dbraw/zinc/37/24/38/520372438.db2.gz GWAFTWWVANSWAD-ZIAGYGMSSA-N 1 0 278.352 2.888 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000084440208 520430309 /nfs/dbraw/zinc/43/03/09/520430309.db2.gz GWAFTWWVANSWAD-UONOGXRCSA-N 1 0 278.352 2.888 20 5 CFBDRO CCCC[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445221 520522635 /nfs/dbraw/zinc/52/26/35/520522635.db2.gz WNYUWBYFCGWJSX-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000313288565 520525509 /nfs/dbraw/zinc/52/55/09/520525509.db2.gz FKVSXKYKIYCHRH-NSHDSACASA-N 1 0 282.315 2.781 20 5 CFBDRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C2 ZINC000163096781 520642552 /nfs/dbraw/zinc/64/25/52/520642552.db2.gz NJSRXLGYVCJYEK-JMSVASOKSA-N 1 0 292.383 2.596 20 5 CFBDRO CCOc1cc(C[N@H+](CC)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000361588985 520697535 /nfs/dbraw/zinc/69/75/35/520697535.db2.gz NVLUNCYDTOEPLC-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000339368037 521671328 /nfs/dbraw/zinc/67/13/28/521671328.db2.gz KJZSUYGGBVLSLG-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO CC[C@@H]([NH2+]CCN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111009 522833049 /nfs/dbraw/zinc/83/30/49/522833049.db2.gz UIKUEHFDJMDSAY-OAHLLOKOSA-N 1 0 279.384 2.976 20 5 CFBDRO COCC1=CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000361138426 522923647 /nfs/dbraw/zinc/92/36/47/522923647.db2.gz AHRSLZVDELFAPW-XQRVVYSFSA-N 1 0 288.347 2.887 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000075860270 522933958 /nfs/dbraw/zinc/93/39/58/522933958.db2.gz NYCRVZZHLGZSBL-OAHLLOKOSA-N 1 0 291.395 2.901 20 5 CFBDRO CC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072038 523278801 /nfs/dbraw/zinc/27/88/01/523278801.db2.gz UASJQHLMKYSAIU-AWEZNQCLSA-N 1 0 296.392 2.801 20 5 CFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000072926569 523814825 /nfs/dbraw/zinc/81/48/25/523814825.db2.gz QWUJAOGLRMHPEO-ZFWWWQNUSA-N 1 0 278.352 2.888 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)CC2CC2)cc1[N+](=O)[O-] ZINC000070102531 524088451 /nfs/dbraw/zinc/08/84/51/524088451.db2.gz FSEILYJFWIBYIM-SNVBAGLBSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163924301 524296083 /nfs/dbraw/zinc/29/60/83/524296083.db2.gz BMCURWMCDQVAAY-JQWIXIFHSA-N 1 0 297.786 2.665 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC000158664104 524906572 /nfs/dbraw/zinc/90/65/72/524906572.db2.gz CDFOCOXSZWAOIC-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO COc1ccc(OCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000173494673 524954087 /nfs/dbraw/zinc/95/40/87/524954087.db2.gz JMNGHKLFHHDJFX-UHFFFAOYSA-N 1 0 294.351 2.714 20 5 CFBDRO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263220473 525202073 /nfs/dbraw/zinc/20/20/73/525202073.db2.gz LTIOTLJTNIAVHI-SWLSCSKDSA-N 1 0 291.351 2.749 20 5 CFBDRO Cc1cc(NCc2nccn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317069955 525282720 /nfs/dbraw/zinc/28/27/20/525282720.db2.gz WLHVZASWWKEGGV-UHFFFAOYSA-N 1 0 297.318 2.797 20 5 CFBDRO CSCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000069432881 525482110 /nfs/dbraw/zinc/48/21/10/525482110.db2.gz ZNJYRPINRGPOCS-JTQLQIEISA-N 1 0 254.355 2.999 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000222909860 525536083 /nfs/dbraw/zinc/53/60/83/525536083.db2.gz SDNYWQIIMVYIMQ-SNVBAGLBSA-N 1 0 275.283 2.980 20 5 CFBDRO Cc1c(CN2CCC[N@@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000061040863 525704327 /nfs/dbraw/zinc/70/43/27/525704327.db2.gz YJNPUQYZAOBGFL-UHFFFAOYSA-N 1 0 289.379 2.573 20 5 CFBDRO Cc1c(CN2CCC([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000171692840 525706331 /nfs/dbraw/zinc/70/63/31/525706331.db2.gz ACGQPVAQJJYPLV-UHFFFAOYSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000310707930 525728125 /nfs/dbraw/zinc/72/81/25/525728125.db2.gz DYPVEXKOOIWNNJ-BXKDBHETSA-N 1 0 266.366 2.744 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000231884644 525728182 /nfs/dbraw/zinc/72/81/82/525728182.db2.gz LPAAGWVKTQOAEP-CYBMUJFWSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000235963896 525731250 /nfs/dbraw/zinc/73/12/50/525731250.db2.gz GAIRNZKDOQCSOT-ZFWWWQNUSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883502 525731620 /nfs/dbraw/zinc/73/16/20/525731620.db2.gz RCDARQMWUSEKFT-MFKMUULPSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@H+](CC2CC2)C2CCCCC2)c1 ZINC000174844325 534889260 /nfs/dbraw/zinc/88/92/60/534889260.db2.gz GTUSISJRKGYJAD-UHFFFAOYSA-N 1 0 292.383 2.836 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cccc1[N+](=O)[O-] ZINC000305111249 525916744 /nfs/dbraw/zinc/91/67/44/525916744.db2.gz FZQJFQNMMAREEM-SWLSCSKDSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228085912 525934520 /nfs/dbraw/zinc/93/45/20/525934520.db2.gz UBCUEIFFPRPBFT-TUAOUCFPSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000228412621 525935007 /nfs/dbraw/zinc/93/50/07/525935007.db2.gz JLNPPSSMBKENCM-WOPDTQHZSA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)c1 ZINC000097934194 526059342 /nfs/dbraw/zinc/05/93/42/526059342.db2.gz PPZDXOMZIAXOSE-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2[C@H](C)CCC[C@H]2C)n1 ZINC000360871631 526060503 /nfs/dbraw/zinc/06/05/03/526060503.db2.gz KQUKHEJJJRKDFF-CHWSQXEVSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)n1 ZINC000360668065 526060802 /nfs/dbraw/zinc/06/08/02/526060802.db2.gz CYTKLOBIYWDPQP-CHWSQXEVSA-N 1 0 292.383 2.973 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347478 526085052 /nfs/dbraw/zinc/08/50/52/526085052.db2.gz BDYKDOSNQRJMID-CYBMUJFWSA-N 1 0 289.379 2.826 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCCF ZINC000360997245 526248453 /nfs/dbraw/zinc/24/84/53/526248453.db2.gz BWKXJAJOHCLJBV-LLVKDONJSA-N 1 0 297.330 2.651 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000155985558 526248560 /nfs/dbraw/zinc/24/85/60/526248560.db2.gz FPGJVINMTXGMAS-VXGBXAGGSA-N 1 0 291.351 2.559 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190331333 527397258 /nfs/dbraw/zinc/39/72/58/527397258.db2.gz DBBKESAONOLNEM-YYMFRIBCSA-N 1 0 288.347 2.765 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829714 527404434 /nfs/dbraw/zinc/40/44/34/527404434.db2.gz DMZVNJNBSNUVEQ-VXGBXAGGSA-N 1 0 261.325 2.634 20 5 CFBDRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414219792 527719864 /nfs/dbraw/zinc/71/98/64/527719864.db2.gz IMWCHHQXIJRZGM-WOPDTQHZSA-N 1 0 278.356 2.663 20 5 CFBDRO CC(C)c1ccc(CNC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414821030 528100774 /nfs/dbraw/zinc/10/07/74/528100774.db2.gz BNQJYTVSYFOHEI-CYBMUJFWSA-N 1 0 277.368 2.560 20 5 CFBDRO CC[NH+](CC)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413026917 528138765 /nfs/dbraw/zinc/13/87/65/528138765.db2.gz WUNUGQDOLAQYJK-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413034313 528533670 /nfs/dbraw/zinc/53/36/70/528533670.db2.gz ASYRHJWZKDTKFX-SNVBAGLBSA-N 1 0 284.335 2.517 20 5 CFBDRO CC(C)C[C@H]([NH3+])CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414677596 528552532 /nfs/dbraw/zinc/55/25/32/528552532.db2.gz PCKTXTYDWIZDSC-AWEZNQCLSA-N 1 0 291.395 2.933 20 5 CFBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413039852 528856515 /nfs/dbraw/zinc/85/65/15/528856515.db2.gz IZHSXNRQOIHCSY-ZDUSSCGKSA-N 1 0 298.362 2.907 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000305144957 528879675 /nfs/dbraw/zinc/87/96/75/528879675.db2.gz RKNVQYFPLDKRBE-BBRMVZONSA-N 1 0 294.395 2.913 20 5 CFBDRO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cc1F)C(C)C ZINC000413026983 528906825 /nfs/dbraw/zinc/90/68/25/528906825.db2.gz XBDWPRQBNVKCJE-UHFFFAOYSA-N 1 0 284.335 2.660 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413093553 529015221 /nfs/dbraw/zinc/01/52/21/529015221.db2.gz OIAUCHFUKMPNFP-NSHDSACASA-N 1 0 296.346 2.661 20 5 CFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000452109067 535075298 /nfs/dbraw/zinc/07/52/98/535075298.db2.gz XDRLVVLSDCTORW-UHFFFAOYSA-N 1 0 280.372 2.690 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230689683 535181096 /nfs/dbraw/zinc/18/10/96/535181096.db2.gz QBXDYIIDQGFZNY-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000449534989 535917168 /nfs/dbraw/zinc/91/71/68/535917168.db2.gz CSPYJNNRKDVKND-RISCZKNCSA-N 1 0 280.368 2.967 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459798805 536796984 /nfs/dbraw/zinc/79/69/84/536796984.db2.gz XYXYIJPJOYIJLX-ZIAGYGMSSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1ccc(NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000754062172 574067425 /nfs/dbraw/zinc/06/74/25/574067425.db2.gz YAUAZJIWMQEIGP-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]3C3CC3)c2c1 ZINC000728563382 574100869 /nfs/dbraw/zinc/10/08/69/574100869.db2.gz SPWSANZKTPDMJM-AWEZNQCLSA-N 1 0 286.335 2.776 20 5 CFBDRO COC(=O)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754514467 574106448 /nfs/dbraw/zinc/10/64/48/574106448.db2.gz IJCXLQOHZXVQRG-YGRLFVJLSA-N 1 0 292.335 2.587 20 5 CFBDRO C[NH+](C)CCCCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000754681068 574112907 /nfs/dbraw/zinc/11/29/07/574112907.db2.gz HZNZMAHEWVEDIA-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO C[Si](C)(C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000731211728 574113621 /nfs/dbraw/zinc/11/36/21/574113621.db2.gz XSTGWHRYUYQBKK-UHFFFAOYSA-N 1 0 293.443 2.594 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049997 574132076 /nfs/dbraw/zinc/13/20/76/574132076.db2.gz ZYSQFEMSHPYTBJ-QWHCGFSZSA-N 1 0 277.368 2.730 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000746048506 574132096 /nfs/dbraw/zinc/13/20/96/574132096.db2.gz BBOVBYCHXQXDJF-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059953 574157429 /nfs/dbraw/zinc/15/74/29/574157429.db2.gz ZMVLBDXGYZFPFL-AAEUAGOBSA-N 1 0 266.345 2.649 20 5 CFBDRO CC(C)[NH+]1CCC(C(=O)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000746104234 574258278 /nfs/dbraw/zinc/25/82/78/574258278.db2.gz ILYFATQRZORIDS-UHFFFAOYSA-N 1 0 292.335 2.621 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(F)c2)c1 ZINC000749668823 574304754 /nfs/dbraw/zinc/30/47/54/574304754.db2.gz AHQFTIHTXWUQSU-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO O=[N+]([O-])c1cnn(C[N@H+](CC2CCCCC2)C2CC2)c1 ZINC000725771663 574305927 /nfs/dbraw/zinc/30/59/27/574305927.db2.gz IWPQGTZCULOJNZ-UHFFFAOYSA-N 1 0 278.356 2.794 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891782569 617750962 /nfs/dbraw/zinc/75/09/62/617750962.db2.gz UXNLBLOLPNAMBB-NSHDSACASA-N 1 0 280.324 2.683 20 5 CFBDRO C[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705571 617775454 /nfs/dbraw/zinc/77/54/54/617775454.db2.gz XBCKPNSNVHCWGE-WDEREUQCSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933877148 617804046 /nfs/dbraw/zinc/80/40/46/617804046.db2.gz QKNPGPCYVLYTNV-ZDUSSCGKSA-N 1 0 291.351 2.571 20 5 CFBDRO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000934031379 617872535 /nfs/dbraw/zinc/87/25/35/617872535.db2.gz VNQLBNORHYUTPS-ZDUSSCGKSA-N 1 0 294.351 2.662 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000892101941 617949880 /nfs/dbraw/zinc/94/98/80/617949880.db2.gz OYEFVHXQSJBENV-VHSXEESVSA-N 1 0 280.324 2.539 20 5 CFBDRO COc1c(O)ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892223921 618013024 /nfs/dbraw/zinc/01/30/24/618013024.db2.gz NPERETPSXYQMBT-AOOOYVTPSA-N 1 0 280.324 2.682 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000050015757 618060398 /nfs/dbraw/zinc/06/03/98/618060398.db2.gz NELGZTIMOGUIPB-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000050370812 618116802 /nfs/dbraw/zinc/11/68/02/618116802.db2.gz RTIPWWWPMQCDLS-STQMWFEESA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000090794976 618195275 /nfs/dbraw/zinc/19/52/75/618195275.db2.gz NROUNMRJLWEAQR-NXEZZACHSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000235352491 618249135 /nfs/dbraw/zinc/24/91/35/618249135.db2.gz OWQHOEIQGKCUOZ-BXKDBHETSA-N 1 0 284.743 2.905 20 5 CFBDRO [NH3+][C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000925581668 618266842 /nfs/dbraw/zinc/26/68/42/618266842.db2.gz ULZYEBIERMVHPC-QWHCGFSZSA-N 1 0 295.770 2.608 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000235708197 618417823 /nfs/dbraw/zinc/41/78/23/618417823.db2.gz OWQHOEIQGKCUOZ-CABZTGNLSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1c(C[NH2+][C@@]2(C)CCCOC2)cccc1[N+](=O)[O-] ZINC000235818938 618445614 /nfs/dbraw/zinc/44/56/14/618445614.db2.gz BNJHORCKYPNHAK-AWEZNQCLSA-N 1 0 264.325 2.562 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893357864 618466804 /nfs/dbraw/zinc/46/68/04/618466804.db2.gz UPDNIPIZCVJASV-NSHDSACASA-N 1 0 297.786 2.822 20 5 CFBDRO Cc1cc(N2CC[C@@H](CC[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000895324065 618533459 /nfs/dbraw/zinc/53/34/59/618533459.db2.gz CZZWLMYMRWPZFF-LLVKDONJSA-N 1 0 283.397 2.743 20 5 CFBDRO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892608635 618652744 /nfs/dbraw/zinc/65/27/44/618652744.db2.gz RMXAXVJJJXNPAN-CMPLNLGQSA-N 1 0 299.168 2.858 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000311764172 618722568 /nfs/dbraw/zinc/72/25/68/618722568.db2.gz WMFSPIHAMOIKNB-RYUDHWBXSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633682 619041833 /nfs/dbraw/zinc/04/18/33/619041833.db2.gz YAOJRLUSSDFXIV-MNOVXSKESA-N 1 0 297.786 2.807 20 5 CFBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000312004912 619096427 /nfs/dbraw/zinc/09/64/27/619096427.db2.gz SGPVDWJIFJTPNJ-SNVBAGLBSA-N 1 0 286.759 2.841 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000726606090 619253247 /nfs/dbraw/zinc/25/32/47/619253247.db2.gz SOOAHXQDFJOJMD-RYWCDNDXSA-N 1 0 298.346 2.619 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261787548 619266711 /nfs/dbraw/zinc/26/67/11/619266711.db2.gz FYHDHFNHOFMQCP-PWSUYJOCSA-N 1 0 297.786 2.807 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000894238472 619275119 /nfs/dbraw/zinc/27/51/19/619275119.db2.gz DNQZZSGTXJCYOS-WDEREUQCSA-N 1 0 294.351 2.835 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894420703 619379945 /nfs/dbraw/zinc/37/99/45/619379945.db2.gz QMWWNCMFLBKGSX-ZDUSSCGKSA-N 1 0 298.770 2.805 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCC2(F)CCC2)c1[N+](=O)[O-] ZINC000894506426 619407026 /nfs/dbraw/zinc/40/70/26/619407026.db2.gz OOQPPOQOBSQCDW-UHFFFAOYSA-N 1 0 298.314 2.681 20 5 CFBDRO CCC[C@H](C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895532321 619548597 /nfs/dbraw/zinc/54/85/97/619548597.db2.gz MPXQJQFMDUFEQI-HIFPTAJRSA-N 1 0 280.372 2.911 20 5 CFBDRO C[C@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895735055 619596393 /nfs/dbraw/zinc/59/63/93/619596393.db2.gz CGIAVAADMWBGPB-JQWIXIFHSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737280 619597598 /nfs/dbraw/zinc/59/75/98/619597598.db2.gz PCAPUGFVMMWNJK-GXFFZTMASA-N 1 0 286.335 2.648 20 5 CFBDRO CCC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895737492 619597956 /nfs/dbraw/zinc/59/79/56/619597956.db2.gz WMXOHBXPFFNSRB-JQWIXIFHSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000896512333 619747627 /nfs/dbraw/zinc/74/76/27/619747627.db2.gz NYUTWSQFHMKELA-BREBYQMCSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(Cl)CC1 ZINC000925153989 619988373 /nfs/dbraw/zinc/98/83/73/619988373.db2.gz NPHQLLOPBBCCHV-SNVBAGLBSA-N 1 0 268.744 2.887 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460115 620176340 /nfs/dbraw/zinc/17/63/40/620176340.db2.gz QCUIVKLMYGKNPK-GRYCIOLGSA-N 1 0 266.341 2.711 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000897461400 620176755 /nfs/dbraw/zinc/17/67/55/620176755.db2.gz ODBHSPLGSQJHNQ-RYUDHWBXSA-N 1 0 286.335 2.839 20 5 CFBDRO C[C@H](C[NH2+]C[C@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000897464366 620176816 /nfs/dbraw/zinc/17/68/16/620176816.db2.gz LWFHMYKKJQOPKI-CHWSQXEVSA-N 1 0 276.336 2.981 20 5 CFBDRO C=Cn1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897465696 620177166 /nfs/dbraw/zinc/17/71/66/620177166.db2.gz ZYUCVEBTAQEGOU-LBPRGKRZSA-N 1 0 286.335 2.785 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463686 620177173 /nfs/dbraw/zinc/17/71/73/620177173.db2.gz BJKHRLXLDYRFCR-UPJWGTAASA-N 1 0 278.352 2.855 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000897465214 620177174 /nfs/dbraw/zinc/17/71/74/620177174.db2.gz TXALAINVVFOHJC-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H](C[NH2+]CC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897463264 620177196 /nfs/dbraw/zinc/17/71/96/620177196.db2.gz DNBHDHSBEGCDRZ-OLZOCXBDSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H](C[NH2+][C@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000897465423 620177219 /nfs/dbraw/zinc/17/72/19/620177219.db2.gz VXQMUKSYTXKRLQ-RISCZKNCSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000897469314 620178343 /nfs/dbraw/zinc/17/83/43/620178343.db2.gz IBUDEPSFGPHQCB-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000925310701 620243400 /nfs/dbraw/zinc/24/34/00/620243400.db2.gz OYTVVDGICAJULL-HOCLYGCPSA-N 1 0 290.363 2.890 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(C)C ZINC000841756347 620250085 /nfs/dbraw/zinc/25/00/85/620250085.db2.gz VEKFDNOLSNOSAI-YPMHNXCESA-N 1 0 295.383 2.889 20 5 CFBDRO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841031791 620258861 /nfs/dbraw/zinc/25/88/61/620258861.db2.gz XXVWZZVTOVPCNU-QMTHXVAHSA-N 1 0 297.786 2.855 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1O ZINC000897953950 620310355 /nfs/dbraw/zinc/31/03/55/620310355.db2.gz VTSAUXJVFKKZEE-YUSALJHKSA-N 1 0 292.335 2.587 20 5 CFBDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000927097331 620452724 /nfs/dbraw/zinc/45/27/24/620452724.db2.gz UQAYWHXTVKQDCW-YPMHNXCESA-N 1 0 295.383 2.746 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000898392423 620456825 /nfs/dbraw/zinc/45/68/25/620456825.db2.gz FTDIAPCWJVDCQR-NVXWUHKLSA-N 1 0 298.342 2.651 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C\Cl ZINC000898433337 620463681 /nfs/dbraw/zinc/46/36/81/620463681.db2.gz NBXBECCNIKAZCD-NWPZZWLHSA-N 1 0 297.742 2.654 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C\Cl ZINC000898432050 620463695 /nfs/dbraw/zinc/46/36/95/620463695.db2.gz DXOLLZDPGNIUNL-RQVRIRCRSA-N 1 0 297.742 2.654 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000899891992 620610574 /nfs/dbraw/zinc/61/05/74/620610574.db2.gz VCBQZRRLVHSVGT-UHFFFAOYSA-N 1 0 277.151 2.792 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC1(C)C ZINC000902450492 621091612 /nfs/dbraw/zinc/09/16/12/621091612.db2.gz SPCASIOEQQOZPA-SWLSCSKDSA-N 1 0 291.395 2.504 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056817 621236116 /nfs/dbraw/zinc/23/61/16/621236116.db2.gz YPNYULLDAKTLAT-GFCCVEGCSA-N 1 0 295.383 2.596 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCSC)cc([N+](=O)[O-])c1 ZINC000903058544 621236563 /nfs/dbraw/zinc/23/65/63/621236563.db2.gz RSZYWUPOXWKWFO-VIFPVBQESA-N 1 0 270.354 2.617 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903096843 621259032 /nfs/dbraw/zinc/25/90/32/621259032.db2.gz LVZDWBKQEOYMJL-IAQYHMDHSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc([N+](=O)[O-])c1 ZINC000903129688 621263461 /nfs/dbraw/zinc/26/34/61/621263461.db2.gz IADIFPFKQXKYAQ-UWVGGRQHSA-N 1 0 290.323 2.738 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCCCCCO)cc([N+](=O)[O-])c1 ZINC000903132370 621263861 /nfs/dbraw/zinc/26/38/61/621263861.db2.gz PEQFJCHBMJFQPZ-GFCCVEGCSA-N 1 0 296.367 2.807 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc([N+](=O)[O-])c1 ZINC000903153842 621268924 /nfs/dbraw/zinc/26/89/24/621268924.db2.gz OQYQRCVJTLNEPN-FZMZJTMJSA-N 1 0 292.335 2.947 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc([N+](=O)[O-])c1 ZINC000903153844 621269143 /nfs/dbraw/zinc/26/91/43/621269143.db2.gz OQYQRCVJTLNEPN-SMDDNHRTSA-N 1 0 292.335 2.947 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC2(OC)CCC2)cc([N+](=O)[O-])c1 ZINC000903147676 621272615 /nfs/dbraw/zinc/27/26/15/621272615.db2.gz RLHKXUVJEAEHKB-NSHDSACASA-N 1 0 294.351 2.823 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903174486 621274725 /nfs/dbraw/zinc/27/47/25/621274725.db2.gz KIAMVYNZQHIPKV-LLVKDONJSA-N 1 0 296.367 2.927 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000903177950 621275653 /nfs/dbraw/zinc/27/56/53/621275653.db2.gz SMWCWMMWIXQDNE-QMTHXVAHSA-N 1 0 296.367 2.804 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903179103 621276290 /nfs/dbraw/zinc/27/62/90/621276290.db2.gz MPXROACUQKKDCV-IINYFYTJSA-N 1 0 294.351 2.822 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)COC1 ZINC000903188350 621286014 /nfs/dbraw/zinc/28/60/14/621286014.db2.gz ZEKJZUGSUVPNIH-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1ccnnc1)c1ccccc1[N+](=O)[O-] ZINC000903245305 621296154 /nfs/dbraw/zinc/29/61/54/621296154.db2.gz DKHUZDGDDIJJET-NEPJUHHUSA-N 1 0 286.335 2.839 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903228272 621296980 /nfs/dbraw/zinc/29/69/80/621296980.db2.gz SWQRTRFNMVSVMQ-SMDDNHRTSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903301198 621315697 /nfs/dbraw/zinc/31/56/97/621315697.db2.gz OHBZHEYCRGRRPY-YWPYICTPSA-N 1 0 277.368 2.646 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288187 621319031 /nfs/dbraw/zinc/31/90/31/621319031.db2.gz UJIRTFZIOFBGBM-SCRDCRAPSA-N 1 0 289.379 2.871 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1[N+](=O)[O-] ZINC000903287613 621319061 /nfs/dbraw/zinc/31/90/61/621319061.db2.gz FDNKRDXTBMJRKJ-KDPNGRSJSA-N 1 0 288.347 2.730 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN1C ZINC000903315531 621329715 /nfs/dbraw/zinc/32/97/15/621329715.db2.gz HUNBQJIABDCGBN-ZYHUDNBSSA-N 1 0 295.408 2.671 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(CCO)C1 ZINC000903330222 621341341 /nfs/dbraw/zinc/34/13/41/621341341.db2.gz QJDROECBFHUZQC-PNESKVBLSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC000903397720 621357587 /nfs/dbraw/zinc/35/75/87/621357587.db2.gz YQLIZTJTNRVXKF-SUNKGSAMSA-N 1 0 264.325 2.589 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC000903397721 621357961 /nfs/dbraw/zinc/35/79/61/621357961.db2.gz YQLIZTJTNRVXKF-UHIISALHSA-N 1 0 264.325 2.589 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000903390786 621360396 /nfs/dbraw/zinc/36/03/96/621360396.db2.gz JNQNHMJZQFTZRW-BDAKNGLRSA-N 1 0 270.304 2.544 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000903406223 621361806 /nfs/dbraw/zinc/36/18/06/621361806.db2.gz TVAVUZMBLJEFTB-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)n1 ZINC000903445825 621383833 /nfs/dbraw/zinc/38/38/33/621383833.db2.gz WGIQAGFGBJQLJN-XEQKKNTQSA-N 1 0 284.747 2.617 20 5 CFBDRO C[C@H]([NH2+]C/C=C/Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903445454 621383868 /nfs/dbraw/zinc/38/38/68/621383868.db2.gz TVVPKFVXXDLGDU-NCJLJLRUSA-N 1 0 255.705 2.580 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903471336 621389663 /nfs/dbraw/zinc/38/96/63/621389663.db2.gz IYDYZZDFYBAUJU-IUODEOHRSA-N 1 0 289.379 2.838 20 5 CFBDRO Cc1c(CN[C@@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000903486352 621394198 /nfs/dbraw/zinc/39/41/98/621394198.db2.gz UVRHACPQWYLMEB-OAHLLOKOSA-N 1 0 289.379 2.668 20 5 CFBDRO Cc1c(CN2CCC[C@@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903796684 621443812 /nfs/dbraw/zinc/44/38/12/621443812.db2.gz BMGOIGMNEXHGDJ-GDBMZVCRSA-N 1 0 289.379 2.607 20 5 CFBDRO CC(C)C[C@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988854 621500062 /nfs/dbraw/zinc/50/00/62/621500062.db2.gz ZABBLVJUZZZYHR-AAEUAGOBSA-N 1 0 265.357 2.619 20 5 CFBDRO C[NH2+]C[C@H](C)c1noc(-c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000904077558 621517811 /nfs/dbraw/zinc/51/78/11/621517811.db2.gz XGZLUEHUBHDECC-VIFPVBQESA-N 1 0 290.323 2.585 20 5 CFBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000905049689 621686326 /nfs/dbraw/zinc/68/63/26/621686326.db2.gz LATZPHRQQKLEBJ-UHFFFAOYSA-N 1 0 286.331 2.632 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(Sc2ccccc2)CCCC1 ZINC000905105202 621700577 /nfs/dbraw/zinc/70/05/77/621700577.db2.gz JOQKJUHMGITUOH-UHFFFAOYSA-N 1 0 280.393 2.958 20 5 CFBDRO CCC(CC)(CNCC[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000905114163 621702212 /nfs/dbraw/zinc/70/22/12/621702212.db2.gz KOQWMSSSERINJP-CQSZACIVSA-N 1 0 293.411 2.762 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832779060 625513359 /nfs/dbraw/zinc/51/33/59/625513359.db2.gz TVFMYMKAXILDIG-AWEZNQCLSA-N 1 0 295.358 2.648 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000905202472 621722634 /nfs/dbraw/zinc/72/26/34/621722634.db2.gz MKMOILCLBGIFAK-AWEZNQCLSA-N 1 0 264.300 2.628 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCC[C@H]1c1ccccc1 ZINC000905282486 621737539 /nfs/dbraw/zinc/73/75/39/621737539.db2.gz ZINRBVRICIWAOU-CABCVRRESA-N 1 0 262.353 2.827 20 5 CFBDRO CC1CC[NH+](CCc2cccc(NCC[N+](=O)[O-])c2)CC1 ZINC000905327629 621744402 /nfs/dbraw/zinc/74/44/02/621744402.db2.gz AUTQBKYGZVTYEY-UHFFFAOYSA-N 1 0 291.395 2.650 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905474282 621773677 /nfs/dbraw/zinc/77/36/77/621773677.db2.gz PGLGKKCWXQZJMT-YXLJTMCISA-N 1 0 290.363 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000905519595 621788657 /nfs/dbraw/zinc/78/86/57/621788657.db2.gz JCWXJMZWJQAJPF-KSZJFAHPSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC3(CC3)C2)c1 ZINC000905663695 621811913 /nfs/dbraw/zinc/81/19/13/621811913.db2.gz OTTJGQMACNSTKC-DZGCQCFKSA-N 1 0 290.363 2.941 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000905663221 621812104 /nfs/dbraw/zinc/81/21/04/621812104.db2.gz CMIRDYDVOFKXLK-CABCVRRESA-N 1 0 262.353 2.969 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000164246536 622943229 /nfs/dbraw/zinc/94/32/29/622943229.db2.gz QCMLGABFJZSRHY-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000222965246 622977371 /nfs/dbraw/zinc/97/73/71/622977371.db2.gz NQNCRIRJWXTMTN-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000228198211 623135611 /nfs/dbraw/zinc/13/56/11/623135611.db2.gz FAVYMOKPUVIOLV-UXIGCNINSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000823069494 623227742 /nfs/dbraw/zinc/22/77/42/623227742.db2.gz ORAOOPXHCWPCQY-HTQZYQBOSA-N 1 0 294.336 2.767 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000230164534 623260060 /nfs/dbraw/zinc/26/00/60/623260060.db2.gz NUPFZBGWZRGQLL-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO Cc1c(-c2noc([C@H]3CCCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823270145 623280747 /nfs/dbraw/zinc/28/07/47/623280747.db2.gz NTKBHEBEYJJTRJ-LLVKDONJSA-N 1 0 288.307 2.768 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197513 623332820 /nfs/dbraw/zinc/33/28/20/623332820.db2.gz NGLYCFYUARKIQX-ZDUSSCGKSA-N 1 0 295.408 2.620 20 5 CFBDRO Cc1c(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883912 623373121 /nfs/dbraw/zinc/37/31/21/623373121.db2.gz ATVAPWXVVLJOLY-GHMZBOCLSA-N 1 0 278.352 2.949 20 5 CFBDRO CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C)C(C)C ZINC000064111969 623432183 /nfs/dbraw/zinc/43/21/83/623432183.db2.gz LHULFXWZJFAKHG-NSHDSACASA-N 1 0 268.361 2.732 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]12 ZINC000915208259 623998576 /nfs/dbraw/zinc/99/85/76/623998576.db2.gz DEKBZBOHQALRBK-KWCYVHTRSA-N 1 0 278.356 2.649 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC[C@H]1CCOC1)C2 ZINC000828100059 624172962 /nfs/dbraw/zinc/17/29/62/624172962.db2.gz XKVKWMIJPPZGBV-ZDUSSCGKSA-N 1 0 290.363 2.770 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000917432302 624343473 /nfs/dbraw/zinc/34/34/73/624343473.db2.gz CDQHHAKPTHGRBR-JHJVBQTASA-N 1 0 278.356 2.649 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906108 625918230 /nfs/dbraw/zinc/91/82/30/625918230.db2.gz WAFVATOVFCXELB-VXGBXAGGSA-N 1 0 293.367 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3c2OCC3)cc1 ZINC000921687218 626081186 /nfs/dbraw/zinc/08/11/86/626081186.db2.gz ZKBHPBLPKFCEGE-UHFFFAOYSA-N 1 0 298.342 2.862 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCO1 ZINC000922813787 626369385 /nfs/dbraw/zinc/36/93/85/626369385.db2.gz YBCQBFQPYFPRNO-AWEZNQCLSA-N 1 0 264.325 2.644 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C2COC(C)(C)OC2)cccc1[N+](=O)[O-] ZINC000757698863 626558960 /nfs/dbraw/zinc/55/89/60/626558960.db2.gz ULHAAMBOQAKAMM-LLVKDONJSA-N 1 0 294.351 2.705 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000764768519 627092144 /nfs/dbraw/zinc/09/21/44/627092144.db2.gz KEVHPEFIORMFNI-KGLIPLIRSA-N 1 0 290.319 2.962 20 5 CFBDRO CCC[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764947089 627108170 /nfs/dbraw/zinc/10/81/70/627108170.db2.gz PUBSLNCRCGJJNJ-UHFFFAOYSA-N 1 0 276.340 2.942 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765049318 627115580 /nfs/dbraw/zinc/11/55/80/627115580.db2.gz OSVGYUYWIMMXJW-SNVBAGLBSA-N 1 0 274.324 2.695 20 5 CFBDRO CC[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765080668 627118031 /nfs/dbraw/zinc/11/80/31/627118031.db2.gz RTZMBWBXCICARU-LBPRGKRZSA-N 1 0 288.351 2.942 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000765486268 627141811 /nfs/dbraw/zinc/14/18/11/627141811.db2.gz SJVBUDXZONSVRQ-UHFFFAOYSA-N 1 0 296.290 2.623 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765645031 627152435 /nfs/dbraw/zinc/15/24/35/627152435.db2.gz YKLHNNGMLLHXKZ-STQMWFEESA-N 1 0 277.368 2.822 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000765644632 627152602 /nfs/dbraw/zinc/15/26/02/627152602.db2.gz YKLHNNGMLLHXKZ-OLZOCXBDSA-N 1 0 277.368 2.822 20 5 CFBDRO CO[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000851869721 634565044 /nfs/dbraw/zinc/56/50/44/634565044.db2.gz PAAJGJGARSGONM-INIZCTEOSA-N 1 0 290.363 2.768 20 5 CFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771459447 627605934 /nfs/dbraw/zinc/60/59/34/627605934.db2.gz KHMRGLCBTWKWDW-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775549999 628035751 /nfs/dbraw/zinc/03/57/51/628035751.db2.gz WCMNHJVHOMVBDU-RDQDRAATSA-N 1 0 292.335 2.673 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274985 628124971 /nfs/dbraw/zinc/12/49/71/628124971.db2.gz FDUMUNAUFGRJQW-FZMZJTMJSA-N 1 0 266.341 2.605 20 5 CFBDRO CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279927 628125730 /nfs/dbraw/zinc/12/57/30/628125730.db2.gz VBULHOQUHDRFIP-CABCVRRESA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279080 628126119 /nfs/dbraw/zinc/12/61/19/628126119.db2.gz WYPKRWJMAZDBPX-WFASDCNBSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776584292 628161367 /nfs/dbraw/zinc/16/13/67/628161367.db2.gz KIBVIDBZZYHBLC-TYNCELHUSA-N 1 0 278.352 2.749 20 5 CFBDRO CC(C)C([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776605043 628164295 /nfs/dbraw/zinc/16/42/95/628164295.db2.gz IDNRUUONGLJDOB-CQSZACIVSA-N 1 0 280.368 2.898 20 5 CFBDRO CC(C)([NH2+]CCOC(F)F)c1ccccc1[N+](=O)[O-] ZINC000852078735 634645373 /nfs/dbraw/zinc/64/53/73/634645373.db2.gz UJMYOOPLNCVWBZ-UHFFFAOYSA-N 1 0 274.267 2.659 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588817 628562987 /nfs/dbraw/zinc/56/29/87/628562987.db2.gz XIUYLZIFMLJSAQ-NHYWBVRUSA-N 1 0 292.383 2.878 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981956 628594818 /nfs/dbraw/zinc/59/48/18/628594818.db2.gz LZMMMDPLUJRYOK-ZBFHGGJFSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[N@@H+]1C ZINC000783679759 628734216 /nfs/dbraw/zinc/73/42/16/628734216.db2.gz RCKRELRKARCBKF-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000785605793 628897396 /nfs/dbraw/zinc/89/73/96/628897396.db2.gz IDHISBBAMUVNLV-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1cccc(C(=O)OCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000787970182 629044620 /nfs/dbraw/zinc/04/46/20/629044620.db2.gz PWRRPJZRFXIYGY-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641208 629088961 /nfs/dbraw/zinc/08/89/61/629088961.db2.gz IVODUMFCKZQSAR-SECBINFHSA-N 1 0 251.330 2.874 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000789452250 629158058 /nfs/dbraw/zinc/15/80/58/629158058.db2.gz SBEJUGDXRCHSCZ-LMOYCYGVSA-N 1 0 292.379 2.995 20 5 CFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000790757074 629260636 /nfs/dbraw/zinc/26/06/36/629260636.db2.gz BGDGDNCDRPCBOV-UHTWSYAYSA-N 1 0 292.335 2.587 20 5 CFBDRO CC(C)c1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000792169319 629405216 /nfs/dbraw/zinc/40/52/16/629405216.db2.gz GRHBGQRACIYVRB-UHFFFAOYSA-N 1 0 294.351 2.827 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CCC1 ZINC000795191351 629743071 /nfs/dbraw/zinc/74/30/71/629743071.db2.gz DLJRVTOEFYVZJD-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797420041 630064830 /nfs/dbraw/zinc/06/48/30/630064830.db2.gz XETUQQJGVBBEQX-LLVKDONJSA-N 1 0 286.335 2.800 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000804444113 630682056 /nfs/dbraw/zinc/68/20/56/630682056.db2.gz UYHRHGWCGKTVRA-LBPRGKRZSA-N 1 0 291.351 2.551 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C1CC1)[NH+](C)C ZINC000807962827 630926051 /nfs/dbraw/zinc/92/60/51/630926051.db2.gz PWPGAQXOQCXDGT-OAHLLOKOSA-N 1 0 291.351 2.550 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C1CC1)[NH+](C)C ZINC000807962826 630926289 /nfs/dbraw/zinc/92/62/89/630926289.db2.gz PWPGAQXOQCXDGT-HNNXBMFYSA-N 1 0 291.351 2.550 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1([NH+](C)C)CCC1 ZINC000808044315 630944475 /nfs/dbraw/zinc/94/44/75/630944475.db2.gz ZBYJPEUIOSXLHF-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808778552 631047242 /nfs/dbraw/zinc/04/72/42/631047242.db2.gz ZRXUDHNMZHZDTD-GOEBONIOSA-N 1 0 290.363 2.750 20 5 CFBDRO CCCC[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841030560 631311064 /nfs/dbraw/zinc/31/10/64/631311064.db2.gz NOEMTEUTWQAJES-LLVKDONJSA-N 1 0 285.775 2.855 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000841032788 631313883 /nfs/dbraw/zinc/31/38/83/631313883.db2.gz XWTWIQUCRYURLN-UHFFFAOYSA-N 1 0 299.374 2.694 20 5 CFBDRO CC(C)C[C@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841038177 631316064 /nfs/dbraw/zinc/31/60/64/631316064.db2.gz GUXZKEGWAXJGHW-LLVKDONJSA-N 1 0 285.775 2.711 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000842166211 631558036 /nfs/dbraw/zinc/55/80/36/631558036.db2.gz JNJXHMQHWZHAPP-YXMPFFBPSA-N 1 0 278.352 2.605 20 5 CFBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000811519091 631576416 /nfs/dbraw/zinc/57/64/16/631576416.db2.gz VLZLIBHARHPLAH-JTQLQIEISA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000842476735 631642025 /nfs/dbraw/zinc/64/20/25/631642025.db2.gz UGRPUBJKRFTULC-ISTVAULSSA-N 1 0 297.786 2.724 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000842476736 631642162 /nfs/dbraw/zinc/64/21/62/631642162.db2.gz UGRPUBJKRFTULC-RULNRJAQSA-N 1 0 297.786 2.724 20 5 CFBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000842576674 631667632 /nfs/dbraw/zinc/66/76/32/631667632.db2.gz IECDZDCOCJKYGJ-ZETCQYMHSA-N 1 0 296.714 2.621 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842915420 631781574 /nfs/dbraw/zinc/78/15/74/631781574.db2.gz GRMAJONDFGWCIH-LOWVWBTDSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843051229 631815459 /nfs/dbraw/zinc/81/54/59/631815459.db2.gz GAJRRHIZYYGWDK-MNOVXSKESA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C[NH3+] ZINC000843052527 631816769 /nfs/dbraw/zinc/81/67/69/631816769.db2.gz VMCDMCCCMPNBEQ-YGRLFVJLSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1Cl ZINC000843420654 631951457 /nfs/dbraw/zinc/95/14/57/631951457.db2.gz BINBTZMIQRKBJP-RISCZKNCSA-N 1 0 296.754 2.859 20 5 CFBDRO C[C@H](F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815645845 632304309 /nfs/dbraw/zinc/30/43/09/632304309.db2.gz RGSDGMGTEUMADI-LBPRGKRZSA-N 1 0 295.358 2.901 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815645930 632304514 /nfs/dbraw/zinc/30/45/14/632304514.db2.gz UTVWGSJHPJATTO-BDAKNGLRSA-N 1 0 255.293 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000817865875 632715346 /nfs/dbraw/zinc/71/53/46/632715346.db2.gz NSJRWXKDLLGALD-UHFFFAOYSA-N 1 0 295.770 2.576 20 5 CFBDRO CCC(CC)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819017017 632931102 /nfs/dbraw/zinc/93/11/02/632931102.db2.gz BGPVEVVACFMPQP-AWEZNQCLSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H](CCC1CC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819236590 633033150 /nfs/dbraw/zinc/03/31/50/633033150.db2.gz KUUKBDNELMORIG-ABAIWWIYSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000819249978 633038736 /nfs/dbraw/zinc/03/87/36/633038736.db2.gz QNDOGSZBCPOIPA-NEPJUHHUSA-N 1 0 291.351 2.702 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2=CCCCC2)c1 ZINC000819336763 633089609 /nfs/dbraw/zinc/08/96/09/633089609.db2.gz IVVOJIFXCYCIBV-HNNXBMFYSA-N 1 0 276.336 2.718 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000819360064 633108101 /nfs/dbraw/zinc/10/81/01/633108101.db2.gz ZBQWZQASXHCMOF-JKSUJKDBSA-N 1 0 290.363 2.797 20 5 CFBDRO C[C@H]([NH2+]Cc1cnc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000848530444 633279020 /nfs/dbraw/zinc/27/90/20/633279020.db2.gz GUDMWRPSGNSRHM-VIFPVBQESA-N 1 0 294.742 2.833 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC=CO1 ZINC000848548031 633286327 /nfs/dbraw/zinc/28/63/27/633286327.db2.gz TYWLZDKLNOQPQV-FZMZJTMJSA-N 1 0 274.320 2.864 20 5 CFBDRO Nc1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000848786455 633343672 /nfs/dbraw/zinc/34/36/72/633343672.db2.gz QRVBHKOOHXEAEN-OCCSQVGLSA-N 1 0 290.367 2.606 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850369404 633959600 /nfs/dbraw/zinc/95/96/00/633959600.db2.gz JIHXMPYMNUPBST-HOTGVXAUSA-N 1 0 284.315 2.863 20 5 CFBDRO CCC[C@H]([NH2+]CCN(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000850479675 634011060 /nfs/dbraw/zinc/01/10/60/634011060.db2.gz BAORUKLXTOCZEB-AWEZNQCLSA-N 1 0 281.356 2.519 20 5 CFBDRO COC1CC(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850482775 634012206 /nfs/dbraw/zinc/01/22/06/634012206.db2.gz REGAUWFBRDUQRE-XSRFYTQQSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C=CCC1 ZINC000850511460 634024884 /nfs/dbraw/zinc/02/48/84/634024884.db2.gz FNHWLAMDJGGUOJ-VXGBXAGGSA-N 1 0 289.335 2.620 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850523415 634031466 /nfs/dbraw/zinc/03/14/66/634031466.db2.gz IQYUKIANQHPUFA-JQWIXIFHSA-N 1 0 291.351 2.539 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523342 634031504 /nfs/dbraw/zinc/03/15/04/634031504.db2.gz GSEHITSBGDLDKN-FZMZJTMJSA-N 1 0 288.347 2.883 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccoc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850532541 634038672 /nfs/dbraw/zinc/03/86/72/634038672.db2.gz VOMDAJHVZVGIPW-SNVBAGLBSA-N 1 0 275.308 2.663 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537703 634042005 /nfs/dbraw/zinc/04/20/05/634042005.db2.gz XNZFAWMYOAYRIT-PELKAZGASA-N 1 0 285.294 2.873 20 5 CFBDRO CC[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000853687317 635075391 /nfs/dbraw/zinc/07/53/91/635075391.db2.gz SPZOTVOOAXKZFO-JTQLQIEISA-N 1 0 299.321 2.794 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445445 636243762 /nfs/dbraw/zinc/24/37/62/636243762.db2.gz JNEQGTMAALGDSM-RYUDHWBXSA-N 1 0 293.367 2.644 20 5 CFBDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858463709 636253736 /nfs/dbraw/zinc/25/37/36/636253736.db2.gz YHBDDXSGAWBGSU-SNVBAGLBSA-N 1 0 261.325 2.794 20 5 CFBDRO CCO[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000859207859 636503175 /nfs/dbraw/zinc/50/31/75/636503175.db2.gz AOPKUPJCZKPIMA-INIZCTEOSA-N 1 0 290.363 2.768 20 5 CFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860053103 636770685 /nfs/dbraw/zinc/77/06/85/636770685.db2.gz PZKCJLNROOVNSP-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862468946 637396299 /nfs/dbraw/zinc/39/62/99/637396299.db2.gz UFZVUZHXMLAHDO-IINYFYTJSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000863588334 637705100 /nfs/dbraw/zinc/70/51/00/637705100.db2.gz KRIFLZJVNXPSSV-ZFWWWQNUSA-N 1 0 290.363 2.798 20 5 CFBDRO C[C@H]([NH3+])CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000863653239 637726223 /nfs/dbraw/zinc/72/62/23/637726223.db2.gz GDUVUCSRHBHWIR-NSHDSACASA-N 1 0 289.335 2.634 20 5 CFBDRO C[C@H]([NH3+])CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000863654256 637727207 /nfs/dbraw/zinc/72/72/07/637727207.db2.gz VLLFWAJVYVXEFB-NSHDSACASA-N 1 0 289.335 2.634 20 5 CFBDRO C[NH2+]C[C@H](O)c1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000863719072 637758184 /nfs/dbraw/zinc/75/81/84/637758184.db2.gz WOHRAGSEIZKFRV-INIZCTEOSA-N 1 0 286.331 2.823 20 5 CFBDRO [NH2+]=C(NCCC1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000864460508 637990560 /nfs/dbraw/zinc/99/05/60/637990560.db2.gz XCIFQMVLZUVWAY-UHFFFAOYSA-N 1 0 296.758 2.662 20 5 CFBDRO COCc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000865787734 638574302 /nfs/dbraw/zinc/57/43/02/638574302.db2.gz SDUUEQCOLWUKPF-UHFFFAOYSA-N 1 0 290.319 2.932 20 5 CFBDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000865807566 638584837 /nfs/dbraw/zinc/58/48/37/638584837.db2.gz VOAIOYVQRKNPJK-QGZVFWFLSA-N 1 0 297.358 2.871 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207718 638770387 /nfs/dbraw/zinc/77/03/87/638770387.db2.gz JDYATYMFMBMXQR-ZYHUDNBSSA-N 1 0 295.770 2.779 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209144 638771398 /nfs/dbraw/zinc/77/13/98/638771398.db2.gz PPSXFMHEMVLYAG-AAEUAGOBSA-N 1 0 293.342 2.573 20 5 CFBDRO CCOCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866212834 638771799 /nfs/dbraw/zinc/77/17/99/638771799.db2.gz WQJKADZESYSQDQ-LLVKDONJSA-N 1 0 284.331 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCO1 ZINC000866225866 638774004 /nfs/dbraw/zinc/77/40/04/638774004.db2.gz DJYOFBKSBDVJAC-SMDDNHRTSA-N 1 0 296.342 2.824 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866268950 638785155 /nfs/dbraw/zinc/78/51/55/638785155.db2.gz LGBSTTJEFRGTIL-MFKMUULPSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000866309833 638794596 /nfs/dbraw/zinc/79/45/96/638794596.db2.gz BKABUIRPZRRHRB-JTNHKYCSSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000866309396 638794644 /nfs/dbraw/zinc/79/46/44/638794644.db2.gz FOEPZENPTKTBPT-LERXQTSPSA-N 1 0 296.342 2.558 20 5 CFBDRO COC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866336822 638798229 /nfs/dbraw/zinc/79/82/29/638798229.db2.gz NGPSENVWPNIJIE-LLVKDONJSA-N 1 0 296.342 2.824 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCOC1 ZINC000866338083 638798647 /nfs/dbraw/zinc/79/86/47/638798647.db2.gz OBJGBJXKAUVKKU-VXGBXAGGSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCOC1 ZINC000866338062 638798687 /nfs/dbraw/zinc/79/86/87/638798687.db2.gz OBJGBJXKAUVKKU-NEPJUHHUSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000866362412 638804321 /nfs/dbraw/zinc/80/43/21/638804321.db2.gz BIUCUXAOEMOTAF-HZMBPMFUSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000866384575 638811109 /nfs/dbraw/zinc/81/11/09/638811109.db2.gz ZNPVZAXBLCUHLY-OBEQPXDXSA-N 1 0 294.326 2.574 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC(C)(C)C1 ZINC000866386141 638811549 /nfs/dbraw/zinc/81/15/49/638811549.db2.gz XTWBFQGZFJVGKK-GWCFXTLKSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866404299 638815778 /nfs/dbraw/zinc/81/57/78/638815778.db2.gz VBIOQEADIYWXIU-WDEREUQCSA-N 1 0 295.408 2.971 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000866540398 638838826 /nfs/dbraw/zinc/83/88/26/638838826.db2.gz NSOYHHXGBLVYPU-ZDUSSCGKSA-N 1 0 288.351 2.668 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000866541340 638839403 /nfs/dbraw/zinc/83/94/03/638839403.db2.gz YQHIEMCWOOOUTR-IUODEOHRSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121231677 638875264 /nfs/dbraw/zinc/87/52/64/638875264.db2.gz HAQCLADQJIKIEY-SNVBAGLBSA-N 1 0 274.324 2.695 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1OCC[C@H]1CC[NH2+]C1 ZINC000122547529 639192415 /nfs/dbraw/zinc/19/24/15/639192415.db2.gz AOXSLLBZUFWWQX-SECBINFHSA-N 1 0 270.716 2.627 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016354 641548378 /nfs/dbraw/zinc/54/83/78/641548378.db2.gz JFHIEKATPHRQDN-ZJUUUORDSA-N 1 0 284.381 2.738 20 5 CFBDRO CSCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019224 641549256 /nfs/dbraw/zinc/54/92/56/641549256.db2.gz UQWOZGDMJPKLMM-MRVPVSSYSA-N 1 0 258.318 2.748 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019485 641549709 /nfs/dbraw/zinc/54/97/09/641549709.db2.gz YGXILZJAUQGWJE-NEPJUHHUSA-N 1 0 295.358 2.869 20 5 CFBDRO CC[NH+]1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872018969 641549941 /nfs/dbraw/zinc/54/99/41/641549941.db2.gz QWUGBEBOZILWOZ-LLVKDONJSA-N 1 0 295.358 2.869 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030294 641560803 /nfs/dbraw/zinc/56/08/03/641560803.db2.gz CKCMAUMLQQYGMQ-UWVGGRQHSA-N 1 0 270.304 2.810 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033671 641565092 /nfs/dbraw/zinc/56/50/92/641565092.db2.gz DIOZDORZNGPQCE-IINYFYTJSA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039768 641574443 /nfs/dbraw/zinc/57/44/43/641574443.db2.gz GYKVRMZDSPRGMY-VXGBXAGGSA-N 1 0 295.358 2.726 20 5 CFBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059858 641593239 /nfs/dbraw/zinc/59/32/39/641593239.db2.gz JCOBYAWMWIRFBT-UTLUCORTSA-N 1 0 270.304 2.544 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062588 641593837 /nfs/dbraw/zinc/59/38/37/641593837.db2.gz NNILNNSVJQBBRM-GHMZBOCLSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062272 641594333 /nfs/dbraw/zinc/59/43/33/641594333.db2.gz FOBXXWAWVNOTSX-LLVKDONJSA-N 1 0 296.342 2.937 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066819 641598616 /nfs/dbraw/zinc/59/86/16/641598616.db2.gz QZMKGJKYLXJXIU-SCVCMEIPSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074873 641607234 /nfs/dbraw/zinc/60/72/34/641607234.db2.gz JUGLUHZMEUVLOU-CABZTGNLSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079579 641612453 /nfs/dbraw/zinc/61/24/53/641612453.db2.gz JDGDKBWNAOTABK-QJPTWQEYSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083079 641617106 /nfs/dbraw/zinc/61/71/06/641617106.db2.gz GVKKBWXSNKPAFU-JQEKQURRSA-N 1 0 280.299 2.704 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085296 641619041 /nfs/dbraw/zinc/61/90/41/641619041.db2.gz PCWGCYWIHQDDCG-ZJUUUORDSA-N 1 0 282.315 2.952 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000872091827 641624448 /nfs/dbraw/zinc/62/44/48/641624448.db2.gz KOZSJBLUZQRWQR-ICCXJUOJSA-N 1 0 296.392 2.881 20 5 CFBDRO CC1(C)CO[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000872105234 641636769 /nfs/dbraw/zinc/63/67/69/641636769.db2.gz DSHWNKDPBPHNAR-SMDDNHRTSA-N 1 0 290.363 2.987 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126251 641653952 /nfs/dbraw/zinc/65/39/52/641653952.db2.gz KAJOACAQXDUBJL-CKYFFXLPSA-N 1 0 296.392 2.738 20 5 CFBDRO COc1ccc(CNc2cc[nH+]cc2C2CC2)cc1[N+](=O)[O-] ZINC000872418861 641803600 /nfs/dbraw/zinc/80/36/00/641803600.db2.gz KJKUYZDBDXHRPK-UHFFFAOYSA-N 1 0 299.330 2.910 20 5 CFBDRO C[NH2+]C1(CNc2nccc(C)c2[N+](=O)[O-])CCCCC1 ZINC000872629502 641880876 /nfs/dbraw/zinc/88/08/76/641880876.db2.gz JKMSLOIBKPQUSQ-UHFFFAOYSA-N 1 0 278.356 2.632 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000872779862 641934049 /nfs/dbraw/zinc/93/40/49/641934049.db2.gz JBJRFNCKFHMDGX-STQMWFEESA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000873061178 641999351 /nfs/dbraw/zinc/99/93/51/641999351.db2.gz PDCWADRHNOINFQ-AWEZNQCLSA-N 1 0 290.319 2.628 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cccc1[N+](=O)[O-] ZINC000873079270 642007321 /nfs/dbraw/zinc/00/73/21/642007321.db2.gz VENQDEVIPDYXDW-SQWLQELKSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000873106081 642013432 /nfs/dbraw/zinc/01/34/32/642013432.db2.gz DNNBVVKSXIYTNX-ZBFHGGJFSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000873131266 642022513 /nfs/dbraw/zinc/02/25/13/642022513.db2.gz QVPRPZHIQSOLDL-OKILXGFUSA-N 1 0 278.352 2.949 20 5 CFBDRO CCCC[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873133028 642022955 /nfs/dbraw/zinc/02/29/55/642022955.db2.gz BKIRWXJIXBXFNU-HNNXBMFYSA-N 1 0 280.368 2.934 20 5 CFBDRO Cc1c(C[NH2+][C@]23C[C@H]2COC3(C)C)cccc1[N+](=O)[O-] ZINC000873143099 642029337 /nfs/dbraw/zinc/02/93/37/642029337.db2.gz XQBNXAZQCZHXMS-SWLSCSKDSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000873149322 642031760 /nfs/dbraw/zinc/03/17/60/642031760.db2.gz CFHAIQRXCBYKLI-ZKYQVNSYSA-N 1 0 278.352 2.867 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC000873156655 642039258 /nfs/dbraw/zinc/03/92/58/642039258.db2.gz YCTHJIGYEBUERL-LBPRGKRZSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000873183262 642053318 /nfs/dbraw/zinc/05/33/18/642053318.db2.gz AXGVOSKVNXHWLI-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CCO)CC1 ZINC000876564556 642925190 /nfs/dbraw/zinc/92/51/90/642925190.db2.gz LFWFCYPOHBMCIR-UHFFFAOYSA-N 1 0 292.379 2.806 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([NH+](C)C)CC1 ZINC000876596439 642938840 /nfs/dbraw/zinc/93/88/40/642938840.db2.gz PZEKDTYRSCVTHT-UHFFFAOYSA-N 1 0 291.395 2.738 20 5 CFBDRO CC[C@](C)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876738849 642988263 /nfs/dbraw/zinc/98/82/63/642988263.db2.gz CNCPBJSRWRLZAQ-OAHLLOKOSA-N 1 0 278.352 2.768 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000876804935 643015916 /nfs/dbraw/zinc/01/59/16/643015916.db2.gz WKYAPTAGRYUGAL-CZUORRHYSA-N 1 0 292.379 2.804 20 5 CFBDRO CC(C)CC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876887060 643052554 /nfs/dbraw/zinc/05/25/54/643052554.db2.gz IPXYJWJTUFPNDN-PNESKVBLSA-N 1 0 280.372 2.909 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876970088 643087377 /nfs/dbraw/zinc/08/73/77/643087377.db2.gz INSHVBTXGUCNNY-QKEWWQLBSA-N 1 0 266.345 2.519 20 5 CFBDRO CCC[C@H](CC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877021015 643107296 /nfs/dbraw/zinc/10/72/96/643107296.db2.gz LINJIWBSENXMPN-UNXYVOJBSA-N 1 0 266.345 2.663 20 5 CFBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877042659 643117502 /nfs/dbraw/zinc/11/75/02/643117502.db2.gz UEZGVTFTYAOLLW-VOMCLLRMSA-N 1 0 280.372 2.767 20 5 CFBDRO CCC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877079398 643139312 /nfs/dbraw/zinc/13/93/12/643139312.db2.gz DUWKDUPHJVWQLI-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000877086987 643145889 /nfs/dbraw/zinc/14/58/89/643145889.db2.gz DNBFXUUMHNJHPI-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO COCC1=CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877416454 643264152 /nfs/dbraw/zinc/26/41/52/643264152.db2.gz MYPQLXYHXKBWNT-UHFFFAOYSA-N 1 0 290.363 2.990 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000877465429 643285561 /nfs/dbraw/zinc/28/55/61/643285561.db2.gz WYPQZVVQTZYHHW-HDJSIYSDSA-N 1 0 292.379 2.947 20 5 CFBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC1(C)C ZINC000877593755 643386546 /nfs/dbraw/zinc/38/65/46/643386546.db2.gz XQTXCFXEWBFCDC-QUINOFQRSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)O1 ZINC000877683209 643452261 /nfs/dbraw/zinc/45/22/61/643452261.db2.gz UIWCYIZYGBOAHW-PTRXPTGYSA-N 1 0 284.743 2.904 20 5 CFBDRO C[C@H](CC1CCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877701082 643464496 /nfs/dbraw/zinc/46/44/96/643464496.db2.gz ZWGXOIILDRLZIH-QFWMXSHPSA-N 1 0 278.356 2.663 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c(F)c1 ZINC000877739174 643502928 /nfs/dbraw/zinc/50/29/28/643502928.db2.gz RRKOYLYSMYNSAF-RYUDHWBXSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccnn1C ZINC000877762829 643543461 /nfs/dbraw/zinc/54/34/61/643543461.db2.gz KJCAPKNCZUUBBU-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO C[N@H+](CCCOC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000877917566 643640155 /nfs/dbraw/zinc/64/01/55/643640155.db2.gz XYPFBDOVGHORJV-UHFFFAOYSA-N 1 0 292.257 2.953 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000878318533 643837930 /nfs/dbraw/zinc/83/79/30/643837930.db2.gz UCAJCBJQEYZVDL-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO C=C/C=C/CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000878524925 643927195 /nfs/dbraw/zinc/92/71/95/643927195.db2.gz UUFGOCXRDAPJEG-ONEGZZNKSA-N 1 0 276.340 2.561 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879530229 644309257 /nfs/dbraw/zinc/30/92/57/644309257.db2.gz PZHPOXOPXKCGHK-IJEWVQPXSA-N 1 0 288.347 2.526 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879619657 644349618 /nfs/dbraw/zinc/34/96/18/644349618.db2.gz YYDCCYIHSUMWDW-NWDGAFQWSA-N 1 0 278.352 2.749 20 5 CFBDRO CO[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880091707 644528303 /nfs/dbraw/zinc/52/83/03/644528303.db2.gz CNBUNUJDSKDXCE-UTUOFQBUSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000880091993 644528680 /nfs/dbraw/zinc/52/86/80/644528680.db2.gz POUAPMZCSFBTMP-SDDRHHMPSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000880132061 644543461 /nfs/dbraw/zinc/54/34/61/644543461.db2.gz MZRYENAEDFGYHO-HZPDHXFCSA-N 1 0 289.379 2.572 20 5 CFBDRO COCC1([N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000880185347 644568174 /nfs/dbraw/zinc/56/81/74/644568174.db2.gz NIYXIMDZHHPPQT-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232123 644592560 /nfs/dbraw/zinc/59/25/60/644592560.db2.gz HAKQOVSQMKIBMT-LBPRGKRZSA-N 1 0 282.315 2.655 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880233707 644595448 /nfs/dbraw/zinc/59/54/48/644595448.db2.gz DSRBYOXEFDWHJK-LBPRGKRZSA-N 1 0 252.289 2.776 20 5 CFBDRO CCOCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774846 650963135 /nfs/dbraw/zinc/96/31/35/650963135.db2.gz BGBJPSFRDSGRCD-UHFFFAOYSA-N 1 0 270.304 2.592 20 5 CFBDRO CC(C)C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000881788261 645128127 /nfs/dbraw/zinc/12/81/27/645128127.db2.gz XKNXYZYKDBBBJX-SNVBAGLBSA-N 1 0 284.335 2.517 20 5 CFBDRO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000881830057 645135891 /nfs/dbraw/zinc/13/58/91/645135891.db2.gz QOPNJCCTDAYDNJ-LLVKDONJSA-N 1 0 296.346 2.663 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000251230557 650985665 /nfs/dbraw/zinc/98/56/65/650985665.db2.gz BEICYZFPTKDMJZ-SCDSUCTJSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)(CNc1ccnc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000882251717 645254764 /nfs/dbraw/zinc/25/47/64/645254764.db2.gz KQBUZQUODQGHRH-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000882660315 645403675 /nfs/dbraw/zinc/40/36/75/645403675.db2.gz NXVKFPVLHZGVSK-NSHDSACASA-N 1 0 294.330 2.558 20 5 CFBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130673980 645546693 /nfs/dbraw/zinc/54/66/93/645546693.db2.gz MQWCZPFVCIEVIU-LBPRGKRZSA-N 1 0 266.345 2.649 20 5 CFBDRO Cc1c(C[NH2+]CC2(CO)CCCCC2)cccc1[N+](=O)[O-] ZINC000130896034 645589817 /nfs/dbraw/zinc/58/98/17/645589817.db2.gz VBWQDGQLPXUGJM-UHFFFAOYSA-N 1 0 292.379 2.936 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCC3(CC3)C2)cc1 ZINC000883186987 645648922 /nfs/dbraw/zinc/64/89/22/645648922.db2.gz CZRLIYXKRYTGNN-ZFWWWQNUSA-N 1 0 290.363 2.941 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000253138410 651037778 /nfs/dbraw/zinc/03/77/78/651037778.db2.gz VGTOINZLMBCUDU-UXIGCNINSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c(C[NH2+]C2CCC3(COC3)CC2)cccc1[N+](=O)[O-] ZINC000883388535 645785647 /nfs/dbraw/zinc/78/56/47/645785647.db2.gz XDNXOCDKGHCYFC-UHFFFAOYSA-N 1 0 290.363 2.952 20 5 CFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1(C[NH3+])CCCCC1 ZINC000883453370 645841496 /nfs/dbraw/zinc/84/14/96/645841496.db2.gz MJRSFPCHCVXNNS-UHFFFAOYSA-N 1 0 295.358 2.827 20 5 CFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C1(C[NH3+])CCCCC1 ZINC000883453235 645841649 /nfs/dbraw/zinc/84/16/49/645841649.db2.gz HUYHSYPFISBFMW-UHFFFAOYSA-N 1 0 295.358 2.827 20 5 CFBDRO Cc1ccc(C(=O)OCCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000133723730 646217047 /nfs/dbraw/zinc/21/70/47/646217047.db2.gz OPYGCTMGFPCZIN-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884567863 646456929 /nfs/dbraw/zinc/45/69/29/646456929.db2.gz UIELPAMEPDSJMR-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885937621 646774566 /nfs/dbraw/zinc/77/45/66/646774566.db2.gz FNANBYAPHHVKNX-HOCLYGCPSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956593 646783358 /nfs/dbraw/zinc/78/33/58/646783358.db2.gz SWAGWZDXWFEBNJ-JTQLQIEISA-N 1 0 261.325 2.753 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166989 646904523 /nfs/dbraw/zinc/90/45/23/646904523.db2.gz XNQJMKGWMPNHBY-GRYCIOLGSA-N 1 0 263.341 2.856 20 5 CFBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886175291 646908363 /nfs/dbraw/zinc/90/83/63/646908363.db2.gz WPDPDOKRDVBKOY-OAHLLOKOSA-N 1 0 293.367 2.771 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000886232646 646931860 /nfs/dbraw/zinc/93/18/60/646931860.db2.gz ZWSJRQXHSXBWIT-TXEJJXNPSA-N 1 0 261.325 2.612 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000886249258 646936795 /nfs/dbraw/zinc/93/67/95/646936795.db2.gz GHWVBUWRQXMOSZ-RYUDHWBXSA-N 1 0 263.341 2.904 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000886249259 646937254 /nfs/dbraw/zinc/93/72/54/646937254.db2.gz GHWVBUWRQXMOSZ-VXGBXAGGSA-N 1 0 263.341 2.904 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000886267027 646940286 /nfs/dbraw/zinc/94/02/86/646940286.db2.gz DJYYXYZUDKFSIW-UHFFFAOYSA-N 1 0 283.278 2.611 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000886517594 647025535 /nfs/dbraw/zinc/02/55/35/647025535.db2.gz JKTTZTGBYPJZRB-OAHLLOKOSA-N 1 0 288.351 2.815 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886865999 647164356 /nfs/dbraw/zinc/16/43/56/647164356.db2.gz ZYVFPPFGMPPABM-MRXNPFEDSA-N 1 0 289.379 2.560 20 5 CFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000223283543 647359392 /nfs/dbraw/zinc/35/93/92/647359392.db2.gz FGGJIPLNYHIBOE-BYCMXARLSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1(Cl)CC1 ZINC000924953505 648077555 /nfs/dbraw/zinc/07/75/55/648077555.db2.gz CNOINIJMBFNEPX-VIFPVBQESA-N 1 0 284.743 2.853 20 5 CFBDRO CC[C@H](N[C@@H](C)c1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000925230769 648137730 /nfs/dbraw/zinc/13/77/30/648137730.db2.gz PEJNUIYVWIZGOH-GWCFXTLKSA-N 1 0 289.339 2.525 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000925642262 648257203 /nfs/dbraw/zinc/25/72/03/648257203.db2.gz RZWHJYCHQWOCDO-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)c2ccnnc2)cccc1[N+](=O)[O-] ZINC000926271788 648452355 /nfs/dbraw/zinc/45/23/55/648452355.db2.gz SRQJGQGCLMTTKQ-LLVKDONJSA-N 1 0 272.308 2.544 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000927020156 648686033 /nfs/dbraw/zinc/68/60/33/648686033.db2.gz HYLKOQTVZKCFJU-RISCZKNCSA-N 1 0 278.352 2.723 20 5 CFBDRO CCOCCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000927086320 648705127 /nfs/dbraw/zinc/70/51/27/648705127.db2.gz GEOWPZVPHMDJPJ-ZDUSSCGKSA-N 1 0 296.367 2.607 20 5 CFBDRO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CC[N+](=O)[O-] ZINC000929384330 649042742 /nfs/dbraw/zinc/04/27/42/649042742.db2.gz XOOJEEWIWFAOBB-VIFPVBQESA-N 1 0 276.258 2.975 20 5 CFBDRO C[C@]1(CCc2ccccc2)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929819797 649129954 /nfs/dbraw/zinc/12/99/54/649129954.db2.gz VYQJRSQFNOOKKD-HNNXBMFYSA-N 1 0 262.353 2.608 20 5 CFBDRO COC/C(C)=C/C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208345 649207332 /nfs/dbraw/zinc/20/73/32/649207332.db2.gz NPCVSOWARYQWTH-YTRUQHMWSA-N 1 0 264.325 2.838 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000930612356 649287072 /nfs/dbraw/zinc/28/70/72/649287072.db2.gz RZAXFQKEXDINKQ-LBPRGKRZSA-N 1 0 272.707 2.797 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000930723016 649315495 /nfs/dbraw/zinc/31/54/95/649315495.db2.gz SOUHZVMRERCHKA-HNNXBMFYSA-N 1 0 292.379 2.537 20 5 CFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931039747 649369690 /nfs/dbraw/zinc/36/96/90/649369690.db2.gz SXUOXBHPVCMLJX-MFKMUULPSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1noc(CN2CCSC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000931592785 649459564 /nfs/dbraw/zinc/45/95/64/649459564.db2.gz QRLIKOKMMLIXPL-NSHDSACASA-N 1 0 299.396 2.855 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931728641 649480963 /nfs/dbraw/zinc/48/09/63/649480963.db2.gz XSJIQPNDZHUMEI-BJJXKVORSA-N 1 0 289.379 2.824 20 5 CFBDRO COC(=O)CCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932176658 649559117 /nfs/dbraw/zinc/55/91/17/649559117.db2.gz LHTKDHSXLGZGTM-LLVKDONJSA-N 1 0 280.324 2.589 20 5 CFBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934127678 649753242 /nfs/dbraw/zinc/75/32/42/649753242.db2.gz NZMAOOTXPLGFHF-LEWSCRJBSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000934235460 649765067 /nfs/dbraw/zinc/76/50/67/649765067.db2.gz VFTGRGUCIDUMQZ-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)CSC ZINC000934663817 649813205 /nfs/dbraw/zinc/81/32/05/649813205.db2.gz NRXZBMYPLSKDSZ-UHFFFAOYSA-N 1 0 284.381 2.835 20 5 CFBDRO [NH3+]Cc1cccn1-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001167581811 770933096 /nfs/dbraw/zinc/93/30/96/770933096.db2.gz KXCOOANDGYVHGJ-UHFFFAOYSA-N 1 0 294.314 2.906 20 5 CFBDRO C[NH+](C)CC[C@@H](O[C@@H](C[N+](=O)[O-])C1CC1)c1ccccc1 ZINC001224133289 775107998 /nfs/dbraw/zinc/10/79/98/775107998.db2.gz KRVCUTGZTZCHTA-CVEARBPZSA-N 1 0 292.379 2.751 20 5 CFBDRO COc1ccc([C@H](C)OCCC[N+](C)(C)C)cc1OC ZINC001224623034 775229735 /nfs/dbraw/zinc/22/97/35/775229735.db2.gz KHCUOMOPUKTVKN-ZDUSSCGKSA-N 1 0 282.404 2.878 20 5 CFBDRO C[N+](C)(C)CCO[C@H](C(=O)c1ccco1)c1ccco1 ZINC001224775248 775270940 /nfs/dbraw/zinc/27/09/40/775270940.db2.gz KDHQUQWVKHUAHC-HNNXBMFYSA-N 1 0 278.328 2.519 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1Br ZINC001225201488 775364176 /nfs/dbraw/zinc/36/41/76/775364176.db2.gz ORSZMXUSJOPVJQ-JTQLQIEISA-N 1 0 273.194 2.923 20 5 CFBDRO CCCOc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001225255341 775381502 /nfs/dbraw/zinc/38/15/02/775381502.db2.gz AXJKLSKDNJLIIX-ZDUSSCGKSA-N 1 0 252.378 2.949 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217971206 775409643 /nfs/dbraw/zinc/40/96/43/775409643.db2.gz SQENBFCSKBGGOO-SNVBAGLBSA-N 1 0 270.716 2.769 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225383313 775436860 /nfs/dbraw/zinc/43/68/60/775436860.db2.gz XUTJHQHQBJVDHF-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO CCc1cc(C(=O)OC)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225417348 775447390 /nfs/dbraw/zinc/44/73/90/775447390.db2.gz CNPZHJJBIRCCOV-GFCCVEGCSA-N 1 0 280.388 2.509 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Cl)nccc1[N+](=O)[O-])C2 ZINC001225431300 775453965 /nfs/dbraw/zinc/45/39/65/775453965.db2.gz OEOJOVCPDYXQJN-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO COc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC001225436700 775455676 /nfs/dbraw/zinc/45/56/76/775455676.db2.gz YGLGJYURQXSCEG-PJXYFTJBSA-N 1 0 292.335 2.607 20 5 CFBDRO Cc1cc(OC2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001225659418 775545548 /nfs/dbraw/zinc/54/55/48/775545548.db2.gz SATXCLSCSGYFKR-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(F)c1[N+](=O)[O-] ZINC001225671271 775550341 /nfs/dbraw/zinc/55/03/41/775550341.db2.gz JIGRRQLZMSVUMG-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225710161 775570080 /nfs/dbraw/zinc/57/00/80/775570080.db2.gz HMHZEONXMAISSX-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225796548 775596377 /nfs/dbraw/zinc/59/63/77/775596377.db2.gz LXMKZPWRHZSRHE-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@@H]1CC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC001218396531 775628597 /nfs/dbraw/zinc/62/85/97/775628597.db2.gz CSGXOJZSGIAGIM-LDYMZIIASA-N 1 0 270.716 2.768 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225912358 775632353 /nfs/dbraw/zinc/63/23/53/775632353.db2.gz HIGDLKUBMIJJIE-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225913915 775633748 /nfs/dbraw/zinc/63/37/48/775633748.db2.gz YDIAOPMNCLDOJR-NSHDSACASA-N 1 0 268.288 2.595 20 5 CFBDRO C[C@@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC001218408193 775642004 /nfs/dbraw/zinc/64/20/04/775642004.db2.gz UIOLAYYFSHJZEF-SCZZXKLOSA-N 1 0 270.716 2.768 20 5 CFBDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC001218419642 775652748 /nfs/dbraw/zinc/65/27/48/775652748.db2.gz CEJKNMWIZPUOAP-QMTHXVAHSA-N 1 0 264.325 2.588 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006236 775664964 /nfs/dbraw/zinc/66/49/64/775664964.db2.gz AUBGUTGFCCZKLX-JTQLQIEISA-N 1 0 268.288 2.595 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226008724 775666360 /nfs/dbraw/zinc/66/63/60/775666360.db2.gz HEMAFBIRLUOGLY-LLVKDONJSA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2csc(N)n2)cc1 ZINC001226026998 775673012 /nfs/dbraw/zinc/67/30/12/775673012.db2.gz SFGCXSMVYODTHN-LLVKDONJSA-N 1 0 292.428 2.866 20 5 CFBDRO CC(C)COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001226084526 775691953 /nfs/dbraw/zinc/69/19/53/775691953.db2.gz SYIWMNNSQUFEBE-AWEZNQCLSA-N 1 0 294.415 2.973 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(-c2csc(N)n2)c1 ZINC001226109279 775702401 /nfs/dbraw/zinc/70/24/01/775702401.db2.gz DMGTUJZJSBBNBZ-NSHDSACASA-N 1 0 292.428 2.866 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226191850 775733161 /nfs/dbraw/zinc/73/31/61/775733161.db2.gz SUBBLTWMCNTZBK-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC001226365478 775791786 /nfs/dbraw/zinc/79/17/86/775791786.db2.gz DFOWELMEBRRFNE-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO CC[NH+]1CCC(Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226365704 775792513 /nfs/dbraw/zinc/79/25/13/775792513.db2.gz FOEGWZHTXWSXAT-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nsc2ccccc21 ZINC001226433006 775821752 /nfs/dbraw/zinc/82/17/52/775821752.db2.gz NXCNYBIJLWMGMU-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc(C(F)(F)F)c1 ZINC001226480217 775839387 /nfs/dbraw/zinc/83/93/87/775839387.db2.gz DZHPNOGAFWUZRD-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO Cc1ccc(OC2CN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001226950813 776031205 /nfs/dbraw/zinc/03/12/05/776031205.db2.gz OAHJAIBTXOSFDY-UHFFFAOYSA-N 1 0 264.325 2.765 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001226968264 776038214 /nfs/dbraw/zinc/03/82/14/776038214.db2.gz FAFXHGYQAQQOLN-ITGUQSILSA-N 1 0 276.336 2.907 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc(C(F)(F)F)c1F ZINC001227023044 776064592 /nfs/dbraw/zinc/06/45/92/776064592.db2.gz OOQUDEIFZXQBAH-QMMMGPOBSA-N 1 0 281.273 2.713 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cccc1Br ZINC001227024195 776064493 /nfs/dbraw/zinc/06/44/93/776064493.db2.gz HZSHUWOMAJPYMT-SECBINFHSA-O 1 0 289.193 2.628 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001227184369 776127430 /nfs/dbraw/zinc/12/74/30/776127430.db2.gz DSSWEDKLJVROQD-PJXYFTJBSA-N 1 0 292.335 2.607 20 5 CFBDRO CC[C@@H](C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227322498 776177636 /nfs/dbraw/zinc/17/76/36/776177636.db2.gz DPYKGEUJNBDHBM-UKRRQHHQSA-N 1 0 294.415 2.563 20 5 CFBDRO COc1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1Cl ZINC001227354710 776184859 /nfs/dbraw/zinc/18/48/59/776184859.db2.gz DPWUXNSCNLUQEV-SECBINFHSA-N 1 0 276.759 2.961 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2c(cccc2F)s1 ZINC001227354583 776185056 /nfs/dbraw/zinc/18/50/56/776185056.db2.gz DHUXXCJWLYGXPZ-SECBINFHSA-N 1 0 269.365 2.909 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NCc1cc(C)n(C)n1 ZINC001167769131 776196287 /nfs/dbraw/zinc/19/62/87/776196287.db2.gz SPLYZGAEUDQSBI-UHFFFAOYSA-N 1 0 287.431 2.937 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227480415 776212622 /nfs/dbraw/zinc/21/26/22/776212622.db2.gz NAINLIREUPICBH-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO CC(C)OC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001227615637 776246153 /nfs/dbraw/zinc/24/61/53/776246153.db2.gz ZPICIVSSWDCCSK-CYBMUJFWSA-N 1 0 280.388 2.725 20 5 CFBDRO C[N@@H+]1CCC[C@@H](OCc2ccccc2[N+](=O)[O-])CC1 ZINC001222758926 776294922 /nfs/dbraw/zinc/29/49/22/776294922.db2.gz ASWFJERPKSWMNG-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO CC(C)[NH+]1CCC(OCc2cccc([N+](=O)[O-])c2)CC1 ZINC001222767976 776295682 /nfs/dbraw/zinc/29/56/82/776295682.db2.gz DSJILRZGKSZLEJ-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO CCOc1ccc(O[C@H](C)C[N+](C)(C)C)c(F)c1F ZINC001227880394 776316950 /nfs/dbraw/zinc/31/69/50/776316950.db2.gz XDLDDAIRKXTTRA-SNVBAGLBSA-N 1 0 274.331 2.837 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])cc(F)c1F)C2 ZINC001228026099 776366618 /nfs/dbraw/zinc/36/66/18/776366618.db2.gz YAJNRZIPMJGLEG-DOFRTFSJSA-N 1 0 298.289 2.877 20 5 CFBDRO O=[N+]([O-])c1c(Cl)nccc1OC1CC[NH+](C2CC2)CC1 ZINC001228056294 776380358 /nfs/dbraw/zinc/38/03/58/776380358.db2.gz ATBMQYFIDHUFBI-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001228209397 776422574 /nfs/dbraw/zinc/42/25/74/776422574.db2.gz PGRGBGLLYZXESZ-QMMMGPOBSA-N 1 0 281.337 2.533 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CN(C(C)C)C1 ZINC001228570574 776524496 /nfs/dbraw/zinc/52/44/96/776524496.db2.gz FNMVEJJLXYDUDZ-UHFFFAOYSA-N 1 0 264.325 2.683 20 5 CFBDRO Cc1cc(Br)ncc1O[C@H](C)C[N+](C)(C)C ZINC001228706031 776568793 /nfs/dbraw/zinc/56/87/93/776568793.db2.gz MRNSGFOOFUWMMT-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001228929855 776660173 /nfs/dbraw/zinc/66/01/73/776660173.db2.gz HEAIFWOPVBQCDD-MRVPVSSYSA-N 1 0 292.257 2.943 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228933549 776661623 /nfs/dbraw/zinc/66/16/23/776661623.db2.gz HFTUCJKIFYBEMY-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(/C=C/[N+](=O)[O-])cc1)C2 ZINC001229119154 776725884 /nfs/dbraw/zinc/72/58/84/776725884.db2.gz LYHLTVMRSIXGQT-UTALDWLFSA-N 1 0 288.347 2.938 20 5 CFBDRO Cc1cc(=O)oc2ccc(O[C@H](C)C[N+](C)(C)C)cc12 ZINC001229196260 776749961 /nfs/dbraw/zinc/74/99/61/776749961.db2.gz RQANKQYGOOLERB-GFCCVEGCSA-N 1 0 276.356 2.575 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC001229345461 776786635 /nfs/dbraw/zinc/78/66/35/776786635.db2.gz FMQMMPBRVDOMIU-LLVKDONJSA-N 1 0 290.343 2.617 20 5 CFBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229376846 776795863 /nfs/dbraw/zinc/79/58/63/776795863.db2.gz LRWSOQUJCGPNIL-UHFFFAOYSA-N 1 0 270.716 2.721 20 5 CFBDRO CCCC(=O)Nc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001229484313 776824617 /nfs/dbraw/zinc/82/46/17/776824617.db2.gz JRKAEDRKBIVWCB-CYBMUJFWSA-O 1 0 279.404 2.899 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001229881983 776909229 /nfs/dbraw/zinc/90/92/29/776909229.db2.gz JMPSYDLWIUXKLH-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC001204952413 776991935 /nfs/dbraw/zinc/99/19/35/776991935.db2.gz ANTAFINPCLAVMA-NEPJUHHUSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2ccc(F)cc2c1 ZINC001230592976 777021848 /nfs/dbraw/zinc/02/18/48/777021848.db2.gz OHQIJKRXDHWWDE-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2ccc(F)cc2c1 ZINC001230592977 777022314 /nfs/dbraw/zinc/02/23/14/777022314.db2.gz OHQIJKRXDHWWDE-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1ncc[nH]1 ZINC001230609603 777027395 /nfs/dbraw/zinc/02/73/95/777027395.db2.gz NPFODJVZQNAQDX-LBPRGKRZSA-N 1 0 260.361 2.550 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230722939 777051078 /nfs/dbraw/zinc/05/10/78/777051078.db2.gz CFVYMJZTPVQNPG-LBPRGKRZSA-N 1 0 267.349 2.685 20 5 CFBDRO Cc1cc(=O)c2ccc(O[C@H](C)C[N+](C)(C)C)cc2o1 ZINC001231170611 777164175 /nfs/dbraw/zinc/16/41/75/777164175.db2.gz CARBSUOEGPIAGO-GFCCVEGCSA-N 1 0 276.356 2.575 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)oc2ccc(Cl)cc12 ZINC001231177041 777165618 /nfs/dbraw/zinc/16/56/18/777165618.db2.gz KUHLZNGHAQZWJC-SNVBAGLBSA-N 1 0 296.774 2.920 20 5 CFBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC001226840432 777669623 /nfs/dbraw/zinc/66/96/23/777669623.db2.gz FBQSBNJNYJPAER-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC001233597423 778004071 /nfs/dbraw/zinc/00/40/71/778004071.db2.gz LYDRELPSHNHRLN-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO CC(=O)c1ccc2nc(O[C@@H](C)C[N+](C)(C)C)sc2c1 ZINC001233607735 778009844 /nfs/dbraw/zinc/00/98/44/778009844.db2.gz XUIFEBJDSBOKKC-JTQLQIEISA-N 1 0 293.412 2.972 20 5 CFBDRO O=[N+]([O-])c1ncc(Cl)cc1OC1CC[NH+](C2CC2)CC1 ZINC001233714813 778051594 /nfs/dbraw/zinc/05/15/94/778051594.db2.gz CJMRKRWBKGRDIZ-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233717476 778052228 /nfs/dbraw/zinc/05/22/28/778052228.db2.gz WVDDIUMYXILILI-JTQLQIEISA-N 1 0 285.731 2.506 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233753580 778063928 /nfs/dbraw/zinc/06/39/28/778063928.db2.gz NCHHRXLNVZXGJG-VIFPVBQESA-N 1 0 286.278 2.735 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233765327 778069370 /nfs/dbraw/zinc/06/93/70/778069370.db2.gz UAWUIKUBLAUIIF-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)c2ccccc21 ZINC001168231219 778260431 /nfs/dbraw/zinc/26/04/31/778260431.db2.gz KHDMEPGPDKWDMK-OCCSQVGLSA-N 1 0 289.310 2.860 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234674040 778285381 /nfs/dbraw/zinc/28/53/81/778285381.db2.gz HLGHMGSEERSDMG-NSHDSACASA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2c1cccc2[N+](=O)[O-] ZINC001234675722 778286136 /nfs/dbraw/zinc/28/61/36/778286136.db2.gz CKUXLUFDRPTVMG-NSHDSACASA-N 1 0 290.343 2.617 20 5 CFBDRO COc1cc(C(C)=O)c(C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234953433 778339758 /nfs/dbraw/zinc/33/97/58/778339758.db2.gz CYNYVRNEBDIIIZ-LBPRGKRZSA-N 1 0 280.388 2.680 20 5 CFBDRO C[C@H](CCNCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000697926450 778541599 /nfs/dbraw/zinc/54/15/99/778541599.db2.gz ISFDOHPFXDHNOM-SNVBAGLBSA-N 1 0 285.775 2.678 20 5 CFBDRO C[C@H](CCNCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000697929381 778546249 /nfs/dbraw/zinc/54/62/49/778546249.db2.gz YCOODYXCMFJPEJ-SNVBAGLBSA-N 1 0 285.775 2.678 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000159445084 778568078 /nfs/dbraw/zinc/56/80/78/778568078.db2.gz MSJFIDIKWHZZHH-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001233703411 779074341 /nfs/dbraw/zinc/07/43/41/779074341.db2.gz WPMDZQXWPDDBSG-JTQLQIEISA-N 1 0 297.311 2.612 20 5 CFBDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699539442 779291052 /nfs/dbraw/zinc/29/10/52/779291052.db2.gz VPGSRKYCAUOMNK-RNCFNFMXSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1OC[C@H]1CCCC[NH2+]C1 ZINC000700384412 780683572 /nfs/dbraw/zinc/68/35/72/780683572.db2.gz LNCBWXMAZZIZNT-JTQLQIEISA-N 1 0 268.288 2.502 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922892400 780774922 /nfs/dbraw/zinc/77/49/22/780774922.db2.gz OSAZZYFRVIQXCY-GDBMZVCRSA-N 1 0 290.363 2.890 20 5 CFBDRO COC1CC(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000703121006 780992416 /nfs/dbraw/zinc/99/24/16/780992416.db2.gz QELYFDJDRUCRKD-VOMCLLRMSA-N 1 0 264.325 2.670 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000706402934 781175376 /nfs/dbraw/zinc/17/53/76/781175376.db2.gz OOUOCKPLRWNXMM-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO COc1ccc(C[NH2+]C2CC(SC)C2)cc1[N+](=O)[O-] ZINC000708317706 781269781 /nfs/dbraw/zinc/26/97/81/781269781.db2.gz ROEHOWHKXCEEIX-UHFFFAOYSA-N 1 0 282.365 2.587 20 5 CFBDRO CC1(C)CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)OC1 ZINC000711294236 781407002 /nfs/dbraw/zinc/40/70/02/781407002.db2.gz JXGSSLFACBKRQC-NSHDSACASA-N 1 0 284.381 2.951 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CF)C2)cc1F ZINC000711477913 781441306 /nfs/dbraw/zinc/44/13/06/781441306.db2.gz SQYSKWRHLRWRKJ-SNVBAGLBSA-N 1 0 256.252 2.525 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1F ZINC000711633322 781461010 /nfs/dbraw/zinc/46/10/10/781461010.db2.gz KQZGUPBPANDZOA-PHIMTYICSA-N 1 0 282.340 2.529 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C=CCC2)c(F)c1 ZINC000711682882 781464139 /nfs/dbraw/zinc/46/41/39/781464139.db2.gz ARFLZJVXGUIVFS-SNVBAGLBSA-N 1 0 250.273 2.790 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(CO)cc1 ZINC000594507880 349434744 /nfs/dbraw/zinc/43/47/44/349434744.db2.gz QYUWIXAEUSBUAB-MRXNPFEDSA-N 1 0 298.342 2.864 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCCCC[N@H+](C)C1CC1 ZINC000594584546 349451828 /nfs/dbraw/zinc/45/18/28/349451828.db2.gz VJIUZTIEKCAEDP-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO CCOc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594591806 349453999 /nfs/dbraw/zinc/45/39/99/349453999.db2.gz LIKFGUVYJCQEHK-BJHJDKERSA-N 1 0 293.367 2.746 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594614385 349463958 /nfs/dbraw/zinc/46/39/58/349463958.db2.gz GKPVKXLNIGUZGG-YQCJOKCJSA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCCO)CC2)cc1 ZINC000273033928 192025830 /nfs/dbraw/zinc/02/58/30/192025830.db2.gz VEGKZOORFYKZQT-UHFFFAOYSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CO1 ZINC000594925998 349512228 /nfs/dbraw/zinc/51/22/28/349512228.db2.gz RBGMEYBXZMSMCD-VHRBIJSZSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000594936001 349517737 /nfs/dbraw/zinc/51/77/37/349517737.db2.gz RPVGSCBHEGKOHG-IJLUTSLNSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000594956869 349528687 /nfs/dbraw/zinc/52/86/87/349528687.db2.gz WAPBJVJSJJUASW-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000594956898 349529158 /nfs/dbraw/zinc/52/91/58/349529158.db2.gz XCCWXKBJEYECEL-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CC[C@H](C)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000594968545 349535161 /nfs/dbraw/zinc/53/51/61/349535161.db2.gz RSRIEMJEQYWEDS-JTQLQIEISA-N 1 0 282.340 2.835 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594969037 349535305 /nfs/dbraw/zinc/53/53/05/349535305.db2.gz LOYHUQKUHORMEM-UYCWGREVSA-N 1 0 276.336 2.765 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594972612 349535772 /nfs/dbraw/zinc/53/57/72/349535772.db2.gz CUFKUVZSKXXCNJ-VSKVDJIOSA-N 1 0 278.352 2.605 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594985370 349538893 /nfs/dbraw/zinc/53/88/93/349538893.db2.gz LUZYUEYOSKHRFL-JSGCOSHPSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(F)F ZINC000594986149 349539838 /nfs/dbraw/zinc/53/98/38/349539838.db2.gz SHNQCJJBTGDPCU-VIFPVBQESA-N 1 0 262.281 2.791 20 5 CFBDRO CC1(C)[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000594991330 349541054 /nfs/dbraw/zinc/54/10/54/349541054.db2.gz HGRKYUVTGPEXSA-NSHDSACASA-N 1 0 270.279 2.976 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](OC)C(C)C ZINC000595014197 349550293 /nfs/dbraw/zinc/55/02/93/349550293.db2.gz UQFVAGRAAMUTBJ-ABAIWWIYSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC1 ZINC000595019709 349552173 /nfs/dbraw/zinc/55/21/73/349552173.db2.gz QGKJOVKEJGAWNZ-SECBINFHSA-N 1 0 250.298 2.807 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021585 349553210 /nfs/dbraw/zinc/55/32/10/349553210.db2.gz PWRPGEPRNDJEAH-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC=CC1 ZINC000595022775 349554207 /nfs/dbraw/zinc/55/42/07/349554207.db2.gz VSJMNPMUOHZFBB-JTQLQIEISA-N 1 0 262.309 2.973 20 5 CFBDRO Cc1c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273085607 192038710 /nfs/dbraw/zinc/03/87/10/192038710.db2.gz RQPRIYVHPOOSLP-JKSUJKDBSA-N 1 0 290.363 2.950 20 5 CFBDRO C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000125166605 187173239 /nfs/dbraw/zinc/17/32/39/187173239.db2.gz BNKFEQBUSYBSQW-SNVBAGLBSA-N 1 0 292.360 2.794 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC12CC2 ZINC000595046175 349562637 /nfs/dbraw/zinc/56/26/37/349562637.db2.gz YGUPTOKNYDISQB-RNCFNFMXSA-N 1 0 262.309 2.807 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595050055 349564968 /nfs/dbraw/zinc/56/49/68/349564968.db2.gz FGTQIYGCOKONQK-GDLCADMTSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069287 349573321 /nfs/dbraw/zinc/57/33/21/349573321.db2.gz QTPBBJZJHKYYRY-VXGBXAGGSA-N 1 0 278.352 2.715 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595053545 349566668 /nfs/dbraw/zinc/56/66/68/349566668.db2.gz WBPZQZOOEJJNIQ-WZRBSPASSA-N 1 0 294.351 2.822 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595053544 349566711 /nfs/dbraw/zinc/56/67/11/349566711.db2.gz WBPZQZOOEJJNIQ-GMXVVIOVSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595057480 349569133 /nfs/dbraw/zinc/56/91/33/349569133.db2.gz XNWWKUCSQLJIHV-SMDDNHRTSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\CO ZINC000595066169 349572112 /nfs/dbraw/zinc/57/21/12/349572112.db2.gz DKQUXPLZKJOBMH-FJOGCWAESA-N 1 0 296.392 2.604 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000595066238 349572553 /nfs/dbraw/zinc/57/25/53/349572553.db2.gz GVNKAUNHDJEXKA-NWDGAFQWSA-N 1 0 278.352 2.715 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000595037504 349559225 /nfs/dbraw/zinc/55/92/25/349559225.db2.gz GQRYVTPGHPKBQY-VWYCJHECSA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000595039766 349560160 /nfs/dbraw/zinc/56/01/60/349560160.db2.gz CHUVDOFZCVQSPN-HZMBPMFUSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1cncc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000595088773 349577175 /nfs/dbraw/zinc/57/71/75/349577175.db2.gz CYSSSEWAPOUNPN-OAHLLOKOSA-N 1 0 298.346 2.513 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595091019 349578068 /nfs/dbraw/zinc/57/80/68/349578068.db2.gz QWGOVPFCIOGMHZ-CQDKDKBSSA-N 1 0 290.363 2.857 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595092688 349579413 /nfs/dbraw/zinc/57/94/13/349579413.db2.gz ZBFHEEXJWGKIMF-ZLKJLUDKSA-N 1 0 276.336 2.549 20 5 CFBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000125312719 187179177 /nfs/dbraw/zinc/17/91/77/187179177.db2.gz QQFOFQPWNLPXBF-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1noc(C[N@H+]2CCCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595325849 349602219 /nfs/dbraw/zinc/60/22/19/349602219.db2.gz YFRUJUJQXAJAJU-SECBINFHSA-N 1 0 253.302 2.656 20 5 CFBDRO Cc1noc(C[N@H+]2CCCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595325850 349602332 /nfs/dbraw/zinc/60/23/32/349602332.db2.gz YFRUJUJQXAJAJU-VIFPVBQESA-N 1 0 253.302 2.656 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328371 349602545 /nfs/dbraw/zinc/60/25/45/349602545.db2.gz ITDDPXQKHICNAL-DZGCQCFKSA-N 1 0 296.342 2.859 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595325414 349602550 /nfs/dbraw/zinc/60/25/50/349602550.db2.gz HUAJXNVPVVEVLL-MNOVXSKESA-N 1 0 265.313 2.656 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000595348297 349608592 /nfs/dbraw/zinc/60/85/92/349608592.db2.gz QTQQYPPQMMQPSR-BXUZGUMPSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595340054 349605244 /nfs/dbraw/zinc/60/52/44/349605244.db2.gz UQWLPPMDFNDUAM-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC000068658682 346862492 /nfs/dbraw/zinc/86/24/92/346862492.db2.gz DTWMPGSTRHWDNR-SNVBAGLBSA-N 1 0 281.337 2.964 20 5 CFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000595428114 349623379 /nfs/dbraw/zinc/62/33/79/349623379.db2.gz LZRLGAZEIDJTPB-SWLSCSKDSA-N 1 0 296.342 2.717 20 5 CFBDRO CO[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000595458053 349632442 /nfs/dbraw/zinc/63/24/42/349632442.db2.gz HVNHAIVTQGTOTI-HZMBPMFUSA-N 1 0 282.315 2.591 20 5 CFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000273127661 192050804 /nfs/dbraw/zinc/05/08/04/192050804.db2.gz IFQJJSZZJRUCHH-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000595467972 349635710 /nfs/dbraw/zinc/63/57/10/349635710.db2.gz VUARKQZZPLCSLQ-JTQLQIEISA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(CN2CC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595466056 349636148 /nfs/dbraw/zinc/63/61/48/349636148.db2.gz OWUKKJLQSPQKAJ-QMMMGPOBSA-N 1 0 293.245 2.666 20 5 CFBDRO CC[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000595470127 349636760 /nfs/dbraw/zinc/63/67/60/349636760.db2.gz MSMRFBQZBMRFOP-ZDUSSCGKSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000595468757 349636939 /nfs/dbraw/zinc/63/69/39/349636939.db2.gz LFUZMWPINNSNLT-MEBBXXQBSA-N 1 0 294.326 2.733 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000595473736 349637562 /nfs/dbraw/zinc/63/75/62/349637562.db2.gz BGOZTBLLEFQUQC-DZGCQCFKSA-N 1 0 294.326 2.877 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595488680 349640722 /nfs/dbraw/zinc/64/07/22/349640722.db2.gz IFZUEZGPDVCVSI-OAHLLOKOSA-N 1 0 296.342 2.718 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595522827 349650204 /nfs/dbraw/zinc/65/02/04/349650204.db2.gz OJJPOJXSWGKYPH-CQSZACIVSA-N 1 0 295.358 2.648 20 5 CFBDRO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595499308 349642807 /nfs/dbraw/zinc/64/28/07/349642807.db2.gz XHNNIDMWRISPNC-CYBMUJFWSA-N 1 0 282.315 2.733 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595558710 349658932 /nfs/dbraw/zinc/65/89/32/349658932.db2.gz PNFKPLSALGSLBY-GWCFXTLKSA-N 1 0 284.331 2.621 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000595528851 349652235 /nfs/dbraw/zinc/65/22/35/349652235.db2.gz UJHJHORYYNXPIS-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO COCCCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595553104 349657394 /nfs/dbraw/zinc/65/73/94/349657394.db2.gz VQSUSYHVNAXRED-UHFFFAOYSA-N 1 0 270.304 2.592 20 5 CFBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](C3CC3)C2)ccc2ncccc21 ZINC000069287110 346887253 /nfs/dbraw/zinc/88/72/53/346887253.db2.gz RXEMAJOUIGKLFC-NSHDSACASA-N 1 0 298.346 2.792 20 5 CFBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595593486 349667819 /nfs/dbraw/zinc/66/78/19/349667819.db2.gz QKYADLWNXUUDCW-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595670681 349696232 /nfs/dbraw/zinc/69/62/32/349696232.db2.gz IFPCCFIVJYJFNP-OCCSQVGLSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678659 349697812 /nfs/dbraw/zinc/69/78/12/349697812.db2.gz SIQLMVYWDGHIBV-SWLSCSKDSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595749096 349722777 /nfs/dbraw/zinc/72/27/77/349722777.db2.gz DLBUEBCLPSQMBM-BLLLJJGKSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595706941 349712545 /nfs/dbraw/zinc/71/25/45/349712545.db2.gz ZECMEZGIRNBDLV-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO COC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000459672186 536736133 /nfs/dbraw/zinc/73/61/33/536736133.db2.gz GLRPCLUQDVNEGC-UHFFFAOYSA-N 1 0 270.354 2.704 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756942 349725379 /nfs/dbraw/zinc/72/53/79/349725379.db2.gz HUWJVQHHSYIPIT-UXIGCNINSA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595764556 349726974 /nfs/dbraw/zinc/72/69/74/349726974.db2.gz BJDZVYORNVUHTP-TVQRCGJNSA-N 1 0 284.743 2.593 20 5 CFBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595764555 349727431 /nfs/dbraw/zinc/72/74/31/349727431.db2.gz BJDZVYORNVUHTP-NOZJJQNGSA-N 1 0 284.743 2.593 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595777896 349730779 /nfs/dbraw/zinc/73/07/79/349730779.db2.gz LQPUAQPBBDRXGK-STQMWFEESA-N 1 0 296.754 2.641 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835050 349747506 /nfs/dbraw/zinc/74/75/06/349747506.db2.gz UIWJOFUDXVFBGO-VXGBXAGGSA-N 1 0 296.754 2.717 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCF ZINC000596057620 349783522 /nfs/dbraw/zinc/78/35/22/349783522.db2.gz VIHOMRIBJZVBKL-XFXZXTDPSA-N 1 0 282.315 2.574 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414300668 529650783 /nfs/dbraw/zinc/65/07/83/529650783.db2.gz AZYFIZHIPQVKTG-DUVNUKRYSA-N 1 0 294.395 2.911 20 5 CFBDRO CCn1nccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000596094805 349792777 /nfs/dbraw/zinc/79/27/77/349792777.db2.gz MGQDIKREGUGDND-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO CCn1nccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596092678 349793035 /nfs/dbraw/zinc/79/30/35/349793035.db2.gz CLEGOPVDADLBEL-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596097996 349794524 /nfs/dbraw/zinc/79/45/24/349794524.db2.gz MHVIBVVSUDREIU-MRVPVSSYSA-N 1 0 257.359 2.717 20 5 CFBDRO Cc1cc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])s1 ZINC000596104658 349795771 /nfs/dbraw/zinc/79/57/71/349795771.db2.gz KMJYZSPHYANXFG-UHFFFAOYSA-N 1 0 257.359 2.765 20 5 CFBDRO COc1cc(NC[C@@H]2CC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596112252 349796985 /nfs/dbraw/zinc/79/69/85/349796985.db2.gz LDMLHPXFEOVFHL-VIFPVBQESA-N 1 0 299.758 2.620 20 5 CFBDRO C[C@@H](CCCCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294982053 199283371 /nfs/dbraw/zinc/28/33/71/199283371.db2.gz GRAFMCNLWVVWKE-PPGNKHEKSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000596134936 349803881 /nfs/dbraw/zinc/80/38/81/349803881.db2.gz PSTLQRFYVFQKCE-GFCCVEGCSA-N 1 0 295.408 2.887 20 5 CFBDRO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000150105012 136393310 /nfs/dbraw/zinc/39/33/10/136393310.db2.gz FQZLZYQOQIIHDL-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000072873802 346946212 /nfs/dbraw/zinc/94/62/12/346946212.db2.gz XDDLOZUKCUZFBZ-VXGBXAGGSA-N 1 0 291.351 2.511 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000596169186 349816120 /nfs/dbraw/zinc/81/61/20/349816120.db2.gz SCVGALNUMNAWFF-RYUDHWBXSA-N 1 0 295.408 2.885 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cc(C)sc1[N+](=O)[O-] ZINC000596206640 349827263 /nfs/dbraw/zinc/82/72/63/349827263.db2.gz VJOFJVFRZRHSAP-UHFFFAOYSA-N 1 0 271.386 2.743 20 5 CFBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596309338 349858997 /nfs/dbraw/zinc/85/89/97/349858997.db2.gz YZRLAXLZCMMVMK-LBPRGKRZSA-N 1 0 292.383 2.831 20 5 CFBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307374 349857768 /nfs/dbraw/zinc/85/77/68/349857768.db2.gz LKHAJEGKESVSGV-LBPRGKRZSA-N 1 0 293.367 2.888 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596336674 349868726 /nfs/dbraw/zinc/86/87/26/349868726.db2.gz RLJLVPMAXSAQQW-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@@H](CCNc1nccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000596431838 349901117 /nfs/dbraw/zinc/90/11/17/349901117.db2.gz NOZODSBLFVLQJR-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO C[NH2+]CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423203526 529971549 /nfs/dbraw/zinc/97/15/49/529971549.db2.gz SLYZXHHAEMDBEY-QGZVFWFLSA-N 1 0 299.374 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000596477840 349913922 /nfs/dbraw/zinc/91/39/22/349913922.db2.gz KWIMMGSGYXOYPC-CYBMUJFWSA-N 1 0 290.367 2.809 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000413450792 530060790 /nfs/dbraw/zinc/06/07/90/530060790.db2.gz ZBQXIWSOPZIGJB-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000596570389 349944790 /nfs/dbraw/zinc/94/47/90/349944790.db2.gz JNNKNLRWYIVTGE-ZDUSSCGKSA-N 1 0 290.367 2.524 20 5 CFBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026159220 346264168 /nfs/dbraw/zinc/26/41/68/346264168.db2.gz FZTOWACTRSUDIW-LBPRGKRZSA-N 1 0 291.351 2.655 20 5 CFBDRO COc1cc(C[NH2+]CC2=CCCCC2)c([N+](=O)[O-])cc1O ZINC000295142012 199370079 /nfs/dbraw/zinc/37/00/79/199370079.db2.gz PZRJKXGASDJYBM-UHFFFAOYSA-N 1 0 292.335 2.899 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000046092591 346419582 /nfs/dbraw/zinc/41/95/82/346419582.db2.gz ZMCUDDRWTHMKKM-CYBMUJFWSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000046091871 346420104 /nfs/dbraw/zinc/42/01/04/346420104.db2.gz ZNUMOXUFMSHIME-LBPRGKRZSA-N 1 0 276.336 2.596 20 5 CFBDRO C[NH+](C)CCOc1cccc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000596636485 349964289 /nfs/dbraw/zinc/96/42/89/349964289.db2.gz BOFSUQOIDREZEX-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO CC(C)[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000055919725 346598939 /nfs/dbraw/zinc/59/89/39/346598939.db2.gz MFZPSRSRYFVSMY-UHFFFAOYSA-N 1 0 288.351 2.739 20 5 CFBDRO CC(=O)c1ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000057839520 346638612 /nfs/dbraw/zinc/63/86/12/346638612.db2.gz GPLWLXSLXUJITJ-UHFFFAOYSA-N 1 0 279.340 2.597 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000063188564 346697238 /nfs/dbraw/zinc/69/72/38/346697238.db2.gz BRRAXXVTBAFXGR-STQMWFEESA-N 1 0 295.408 2.763 20 5 CFBDRO C[C@@H]1C[N@@H+](CCCNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000063257619 346698246 /nfs/dbraw/zinc/69/82/46/346698246.db2.gz INHHYKFIXLCKNH-PHIMTYICSA-N 1 0 299.396 2.568 20 5 CFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000066810450 346780322 /nfs/dbraw/zinc/78/03/22/346780322.db2.gz WXZPYDGBICBQHN-FRRDWIJNSA-N 1 0 292.383 2.768 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000076111952 347122615 /nfs/dbraw/zinc/12/26/15/347122615.db2.gz VXENTNOWSDOWKR-GHMZBOCLSA-N 1 0 264.325 2.691 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000076113864 347123145 /nfs/dbraw/zinc/12/31/45/347123145.db2.gz HOSOBOWJRJIVJC-PHIMTYICSA-N 1 0 264.325 2.691 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCC[C@H](C)C1 ZINC000076751510 347151237 /nfs/dbraw/zinc/15/12/37/347151237.db2.gz JLDKSDQZSWPPNC-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000076800540 347155152 /nfs/dbraw/zinc/15/51/52/347155152.db2.gz MZJXTXFTKOVSDT-BETUJISGSA-N 1 0 292.383 2.770 20 5 CFBDRO Cc1cnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660447 347268167 /nfs/dbraw/zinc/26/81/67/347268167.db2.gz USXHNJIHSCXBBD-LBPRGKRZSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000091399929 347584670 /nfs/dbraw/zinc/58/46/70/347584670.db2.gz XWFJRQDJNQYANY-ZDUSSCGKSA-N 1 0 292.364 2.594 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000091484278 347590401 /nfs/dbraw/zinc/59/04/01/347590401.db2.gz LPKFKKJKCDVSEQ-IUODEOHRSA-N 1 0 277.368 2.761 20 5 CFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000090538363 347551635 /nfs/dbraw/zinc/55/16/35/347551635.db2.gz UCEYYOLQCXXYFN-CQSZACIVSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000092582303 347633026 /nfs/dbraw/zinc/63/30/26/347633026.db2.gz RWVFSYZSJBRTCJ-JTQLQIEISA-N 1 0 297.330 2.639 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092623456 347635039 /nfs/dbraw/zinc/63/50/39/347635039.db2.gz JBODVWXCXHSDMI-UHFFFAOYSA-N 1 0 289.282 2.560 20 5 CFBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092685988 347640659 /nfs/dbraw/zinc/64/06/59/347640659.db2.gz WJKYPJAQKUAMHU-CJNGLKHVSA-N 1 0 289.379 2.824 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000093503548 347678424 /nfs/dbraw/zinc/67/84/24/347678424.db2.gz AYIQAYNZLLNHMT-PHIMTYICSA-N 1 0 294.351 2.700 20 5 CFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000111048854 347751544 /nfs/dbraw/zinc/75/15/44/347751544.db2.gz NRFNGWCIDDUVFD-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO C[C@@H](O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603666 347816595 /nfs/dbraw/zinc/81/65/95/347816595.db2.gz SRPXISZKRDQJFQ-MNOVXSKESA-N 1 0 298.770 2.841 20 5 CFBDRO CCC[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000128912202 347855578 /nfs/dbraw/zinc/85/55/78/347855578.db2.gz ZJZWFNHVAAEPGX-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086696841 179320949 /nfs/dbraw/zinc/32/09/49/179320949.db2.gz VLZWPIUZNDLLQT-FZMZJTMJSA-N 1 0 266.341 2.916 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152987230 347971580 /nfs/dbraw/zinc/97/15/80/347971580.db2.gz FOKPACLBCYLGCW-GXTWGEPZSA-N 1 0 280.368 2.931 20 5 CFBDRO CCOC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000159330207 348012414 /nfs/dbraw/zinc/01/24/14/348012414.db2.gz VLLMXMCJKHLGCS-UHFFFAOYSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154575244 347981017 /nfs/dbraw/zinc/98/10/17/347981017.db2.gz IRHAMSSKIUBFDA-JSGCOSHPSA-N 1 0 277.368 2.648 20 5 CFBDRO CSCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000154823436 347983071 /nfs/dbraw/zinc/98/30/71/347983071.db2.gz IEHQJTUKPMXVKD-NSHDSACASA-N 1 0 268.382 2.869 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCC2)CC1 ZINC000167122631 348045326 /nfs/dbraw/zinc/04/53/26/348045326.db2.gz MCVKSGJSADQQKS-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC1(F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000169670187 348051701 /nfs/dbraw/zinc/05/17/01/348051701.db2.gz ATKUOBMQNXITSA-UHFFFAOYSA-N 1 0 252.289 2.919 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000215639234 348163157 /nfs/dbraw/zinc/16/31/57/348163157.db2.gz XHXGRSPERGTVRC-CYBMUJFWSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1CCSCC1 ZINC000229258387 348200090 /nfs/dbraw/zinc/20/00/90/348200090.db2.gz AVJYPGYEITWSBB-UHFFFAOYSA-N 1 0 280.393 2.870 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252417297 348295936 /nfs/dbraw/zinc/29/59/36/348295936.db2.gz QXCZAUBYTDIWJD-QWHCGFSZSA-N 1 0 295.408 2.620 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255036875 348302503 /nfs/dbraw/zinc/30/25/03/348302503.db2.gz MCILLLSIUOJHPN-LYASGUKUSA-N 1 0 278.352 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305850068 348383120 /nfs/dbraw/zinc/38/31/20/348383120.db2.gz UQEXRALXYDOHME-IAQYHMDHSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293206736 348361923 /nfs/dbraw/zinc/36/19/23/348361923.db2.gz RAMXAAWSNNJLFS-OLZOCXBDSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309842291 348408162 /nfs/dbraw/zinc/40/81/62/348408162.db2.gz QJGAOJRUAHHQED-IONNQARKSA-N 1 0 258.368 2.640 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311618680 348413568 /nfs/dbraw/zinc/41/35/68/348413568.db2.gz RZHSXELTTVYASV-SECBINFHSA-N 1 0 284.747 2.539 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311569116 348413661 /nfs/dbraw/zinc/41/36/61/348413661.db2.gz FJBQIPSHBWECAW-UHFFFAOYSA-N 1 0 286.763 2.643 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000311964287 348416389 /nfs/dbraw/zinc/41/63/89/348416389.db2.gz LYXNBMLFQZKQDF-CYBMUJFWSA-N 1 0 264.325 2.752 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328190780 348440690 /nfs/dbraw/zinc/44/06/90/348440690.db2.gz PIMJMECDMXWNQD-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO CCc1nc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000314720919 348427159 /nfs/dbraw/zinc/42/71/59/348427159.db2.gz JBDZKGNQKMAFMN-UHFFFAOYSA-N 1 0 289.335 2.786 20 5 CFBDRO C[NH+](C)CCCC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413311603 233051290 /nfs/dbraw/zinc/05/12/90/233051290.db2.gz DXHOMUHTXJQMJL-UHFFFAOYSA-N 1 0 284.335 2.661 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC23CCC[NH+]2CCC3)n1 ZINC000588036792 348768078 /nfs/dbraw/zinc/76/80/78/348768078.db2.gz FBHWGAUCKHHQBV-UHFFFAOYSA-N 1 0 290.367 2.647 20 5 CFBDRO CN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589191830 348818285 /nfs/dbraw/zinc/81/82/85/348818285.db2.gz FTPHZXNYUBJIMV-UHFFFAOYSA-N 1 0 285.775 2.632 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](O)C1CC1 ZINC000589198187 348818712 /nfs/dbraw/zinc/81/87/12/348818712.db2.gz PVMJKHZYRUCYKH-RCLKMUNOSA-N 1 0 290.363 2.701 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC(C)(C)C)c1 ZINC000589497390 348835761 /nfs/dbraw/zinc/83/57/61/348835761.db2.gz RUXUSXAKJUYROD-UHFFFAOYSA-N 1 0 294.351 2.859 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496279 348836042 /nfs/dbraw/zinc/83/60/42/348836042.db2.gz FJXOXJLPKOJFPT-SNVBAGLBSA-N 1 0 280.324 2.612 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589601277 348842008 /nfs/dbraw/zinc/84/20/08/348842008.db2.gz DOXULWHQJWTXHY-VIFPVBQESA-N 1 0 257.359 2.797 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273953311 192376455 /nfs/dbraw/zinc/37/64/55/192376455.db2.gz NCYISCPIRHVLQK-UHFFFAOYSA-N 1 0 281.743 2.922 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000590595419 348912409 /nfs/dbraw/zinc/91/24/09/348912409.db2.gz NTDRARFYSXXDLO-HOCLYGCPSA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000591147486 348992290 /nfs/dbraw/zinc/99/22/90/348992290.db2.gz IAWGHFWJBKCYTH-SECBINFHSA-N 1 0 284.335 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CC1)CCCC2 ZINC000591348012 349010781 /nfs/dbraw/zinc/01/07/81/349010781.db2.gz SMCDVPKGFLVXJN-OAHLLOKOSA-N 1 0 290.363 2.724 20 5 CFBDRO Cc1cccc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000591442934 349022736 /nfs/dbraw/zinc/02/27/36/349022736.db2.gz SZOGKWIHEATHTC-CQSZACIVSA-N 1 0 289.379 2.729 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000591442958 349022766 /nfs/dbraw/zinc/02/27/66/349022766.db2.gz ZQOWEBFRRQBHHW-GFCCVEGCSA-N 1 0 293.342 2.560 20 5 CFBDRO C[NH+](C)C1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000591464335 349025420 /nfs/dbraw/zinc/02/54/20/349025420.db2.gz DKPSAZXQJJHPJE-UHFFFAOYSA-N 1 0 269.370 2.941 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000591505405 349027545 /nfs/dbraw/zinc/02/75/45/349027545.db2.gz CTEPWYQBZFSGDN-HNNXBMFYSA-N 1 0 290.363 2.783 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CC[NH2+]2)CC1 ZINC000591563283 349029932 /nfs/dbraw/zinc/02/99/32/349029932.db2.gz CKTPKWIMNMRJKU-CYBMUJFWSA-N 1 0 289.379 2.792 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCOC3)o2)c1 ZINC000591641771 349036219 /nfs/dbraw/zinc/03/62/19/349036219.db2.gz AAOXNYHFFMHBTO-GFCCVEGCSA-N 1 0 288.303 2.733 20 5 CFBDRO Cc1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000295154487 199375593 /nfs/dbraw/zinc/37/55/93/199375593.db2.gz JYEIHQUJLMZUMJ-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1 ZINC000592199598 349098866 /nfs/dbraw/zinc/09/88/66/349098866.db2.gz SBRUQSPZOSGLDT-UHFFFAOYSA-N 1 0 254.355 2.780 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCc2cn(C)cn2)cccc1[N+](=O)[O-] ZINC000414120083 233172619 /nfs/dbraw/zinc/17/26/19/233172619.db2.gz AMDRMCLKEBCFHT-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000592375580 349111965 /nfs/dbraw/zinc/11/19/65/349111965.db2.gz UJBAMVISOFFPQE-ONGXEEELSA-N 1 0 272.370 2.543 20 5 CFBDRO CN(CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592427711 349118926 /nfs/dbraw/zinc/11/89/26/349118926.db2.gz STMJEHQPDNQZBO-UHFFFAOYSA-N 1 0 289.335 2.635 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116055 349213094 /nfs/dbraw/zinc/21/30/94/349213094.db2.gz KWZOZGQZNQELRY-CYBMUJFWSA-N 1 0 298.289 2.705 20 5 CFBDRO CC(C)C[N@H+](C)CCCNCc1ccccc1[N+](=O)[O-] ZINC000593644939 349302890 /nfs/dbraw/zinc/30/28/90/349302890.db2.gz FNOUEASNPQIRFR-UHFFFAOYSA-N 1 0 279.384 2.662 20 5 CFBDRO Cc1cnc(NCCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000593479834 349278715 /nfs/dbraw/zinc/27/87/15/349278715.db2.gz JVPXEHVDGWSXQH-UHFFFAOYSA-N 1 0 280.372 2.688 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+](C)CC(C)C ZINC000593479392 349279015 /nfs/dbraw/zinc/27/90/15/349279015.db2.gz CSCZWKLRKVHBPS-UHFFFAOYSA-N 1 0 297.403 2.509 20 5 CFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1F ZINC000594019339 349354691 /nfs/dbraw/zinc/35/46/91/349354691.db2.gz GGCLGAIOOREHOI-CYBMUJFWSA-N 1 0 292.314 2.671 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCOC1 ZINC000593674573 349308347 /nfs/dbraw/zinc/30/83/47/349308347.db2.gz YRBGMQUPHZTUAR-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO CCC[C@H]([NH2+][C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719051 349314774 /nfs/dbraw/zinc/31/47/74/349314774.db2.gz UKSDXGSPXCJAOE-JSGCOSHPSA-N 1 0 284.331 2.746 20 5 CFBDRO C[C@H](O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000594066300 349368016 /nfs/dbraw/zinc/36/80/16/349368016.db2.gz VCSDOPNDARQLBP-VIFPVBQESA-N 1 0 284.743 2.593 20 5 CFBDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594500757 349432048 /nfs/dbraw/zinc/43/20/48/349432048.db2.gz AVJZCSOILCWKEH-SNVBAGLBSA-N 1 0 272.308 2.544 20 5 CFBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCCc2n[nH]cc2C1 ZINC000597258043 350074462 /nfs/dbraw/zinc/07/44/62/350074462.db2.gz KLZKUURPYGVTET-UTCJRWHESA-N 1 0 298.346 2.780 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CN(C)Cc1c[nH]cn1 ZINC000597171637 350043034 /nfs/dbraw/zinc/04/30/34/350043034.db2.gz YBEZSDBEZVMMIH-WUXMJOGZSA-N 1 0 286.335 2.853 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414498067 233271545 /nfs/dbraw/zinc/27/15/45/233271545.db2.gz HEOFYVLTTIGWEX-CMPLNLGQSA-N 1 0 296.392 2.977 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414570037 233296184 /nfs/dbraw/zinc/29/61/84/233296184.db2.gz IZDABRQJGNNGNS-NBVGUUKWSA-N 1 0 290.363 2.749 20 5 CFBDRO COCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104678767 186014520 /nfs/dbraw/zinc/01/45/20/186014520.db2.gz NDXFMTIEFMSKII-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000104688498 186013776 /nfs/dbraw/zinc/01/37/76/186013776.db2.gz XNMALSQAHBTYDB-LLVKDONJSA-N 1 0 252.314 2.704 20 5 CFBDRO Cc1ccc(NC(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000414660917 233317892 /nfs/dbraw/zinc/31/78/92/233317892.db2.gz OVVXGYDZYFZERQ-NSHDSACASA-N 1 0 294.355 2.542 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000091772437 180249380 /nfs/dbraw/zinc/24/93/80/180249380.db2.gz NAZLSBJSHLGXLR-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]([NH3+])c1ccccc1 ZINC000414828024 233369265 /nfs/dbraw/zinc/36/92/65/233369265.db2.gz IGAPIZMRWGLJMD-INIZCTEOSA-N 1 0 285.347 2.693 20 5 CFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105443330 186056566 /nfs/dbraw/zinc/05/65/66/186056566.db2.gz KQNQQLAEJIUXJW-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO CC1CC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598678952 350308971 /nfs/dbraw/zinc/30/89/71/350308971.db2.gz BDGRUUQODNSFEN-CLRIEMFWSA-N 1 0 292.383 2.911 20 5 CFBDRO C[N@@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000598978464 350353367 /nfs/dbraw/zinc/35/33/67/350353367.db2.gz UHUHMTLPBGHLJH-AWEZNQCLSA-N 1 0 291.395 2.600 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599011045 350358306 /nfs/dbraw/zinc/35/83/06/350358306.db2.gz XGRQGKOMGWCSAO-UKRRQHHQSA-N 1 0 276.336 2.560 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599066486 350368904 /nfs/dbraw/zinc/36/89/04/350368904.db2.gz PTXXEFPYOIMIBB-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599030362 350361832 /nfs/dbraw/zinc/36/18/32/350361832.db2.gz LVVPEBQMVWDUGJ-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599068366 350369648 /nfs/dbraw/zinc/36/96/48/350369648.db2.gz NYWAUVFPOYMKOA-SWLSCSKDSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1c(NC[C@H]2CC[C@H](O)C2)ccc2cnccc21 ZINC000599079444 350371734 /nfs/dbraw/zinc/37/17/34/350371734.db2.gz KUMZBRJQZVVXOK-JQWIXIFHSA-N 1 0 287.319 2.716 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599091169 350374143 /nfs/dbraw/zinc/37/41/43/350374143.db2.gz HMFPMAIEKRPRTK-KCQAQPDRSA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599093831 350374861 /nfs/dbraw/zinc/37/48/61/350374861.db2.gz WXNWPDHJVCJLBY-GVXVVHGQSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+](C2CC2)C2CC2)cc1 ZINC000599594214 350462385 /nfs/dbraw/zinc/46/23/85/350462385.db2.gz MBVOAXFGPMWWPX-UHFFFAOYSA-N 1 0 262.309 2.600 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599626756 350467160 /nfs/dbraw/zinc/46/71/60/350467160.db2.gz ZLOBEALLZIZNHH-PUXPGTEJSA-N 1 0 282.315 2.635 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599627820 350467265 /nfs/dbraw/zinc/46/72/65/350467265.db2.gz ZPPAFSQPKFXLRW-NYMYIZQJSA-N 1 0 278.352 2.805 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](CCF)C1 ZINC000599641611 350471209 /nfs/dbraw/zinc/47/12/09/350471209.db2.gz JFGKUSFVQQPTAU-NWDGAFQWSA-N 1 0 282.315 2.716 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000599661577 350475942 /nfs/dbraw/zinc/47/59/42/350475942.db2.gz ZBMULFJLEXADMM-ZDUSSCGKSA-N 1 0 295.358 2.633 20 5 CFBDRO COCCCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106468646 186120388 /nfs/dbraw/zinc/12/03/88/186120388.db2.gz CIBYPMQTIJSUIQ-UHFFFAOYSA-N 1 0 282.340 2.510 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000599673951 350478880 /nfs/dbraw/zinc/47/88/80/350478880.db2.gz WSIQYMCCXYVXGC-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000600140894 350518493 /nfs/dbraw/zinc/51/84/93/350518493.db2.gz ARHSQNKGGHHTGD-QWHCGFSZSA-N 1 0 280.372 2.597 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600678445 350596498 /nfs/dbraw/zinc/59/64/98/350596498.db2.gz PWJILAFESWVCQM-AEGPPILISA-N 1 0 291.395 2.646 20 5 CFBDRO Cc1c([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000600710367 350599137 /nfs/dbraw/zinc/59/91/37/350599137.db2.gz RKUGTPWROPSULM-IUODEOHRSA-N 1 0 289.379 2.838 20 5 CFBDRO CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600710692 350599226 /nfs/dbraw/zinc/59/92/26/350599226.db2.gz RWCCOINODFSYND-HUUCEWRRSA-N 1 0 289.379 2.920 20 5 CFBDRO C[C@H]([NH2+]CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000108942323 186237144 /nfs/dbraw/zinc/23/71/44/186237144.db2.gz MFNOBUODFXDEFK-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000600712475 350600022 /nfs/dbraw/zinc/60/00/22/350600022.db2.gz XPUVWQZVBLIDJD-DRZSPHRISA-N 1 0 277.368 2.694 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc([C@H]3CC[NH2+]C3)c2)cn1 ZINC000600787934 350611550 /nfs/dbraw/zinc/61/15/50/350611550.db2.gz ACCOJPMKALVKIK-AWEZNQCLSA-N 1 0 269.304 2.734 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000109333702 186248660 /nfs/dbraw/zinc/24/86/60/186248660.db2.gz HQQYXELWCZEBEN-UHFFFAOYSA-N 1 0 266.341 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000110793332 186324911 /nfs/dbraw/zinc/32/49/11/186324911.db2.gz KQHDDXJKRDJKDB-SNVBAGLBSA-N 1 0 267.304 2.536 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601149560 350681915 /nfs/dbraw/zinc/68/19/15/350681915.db2.gz MXEBLMNQEMSRMS-VIXORKTESA-N 1 0 276.336 2.764 20 5 CFBDRO C[C@@H]1CC[C@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)O1 ZINC000601173238 350688927 /nfs/dbraw/zinc/68/89/27/350688927.db2.gz TUTNFCZWHPZDTC-ZYHUDNBSSA-N 1 0 287.319 2.544 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC([NH+]2CCCC2)C1 ZINC000601193353 350693568 /nfs/dbraw/zinc/69/35/68/350693568.db2.gz GFUAMUJNVTTWQN-UHFFFAOYSA-N 1 0 281.743 2.533 20 5 CFBDRO COc1cc(N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000111048500 186347898 /nfs/dbraw/zinc/34/78/98/186347898.db2.gz DKXYFSARHHCLDM-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C)O1 ZINC000601299576 350719089 /nfs/dbraw/zinc/71/90/89/350719089.db2.gz RSZQKSJUJGQNQR-MHWZDGSBSA-N 1 0 276.336 2.738 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000601300254 350719195 /nfs/dbraw/zinc/71/91/95/350719195.db2.gz WURKTBYZTWUUBZ-AYGWYOGXSA-N 1 0 294.351 2.820 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000601300256 350719418 /nfs/dbraw/zinc/71/94/18/350719418.db2.gz WURKTBYZTWUUBZ-KZWBYHQPSA-N 1 0 294.351 2.820 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccon1 ZINC000602015296 350831992 /nfs/dbraw/zinc/83/19/92/350831992.db2.gz KOQLSPCHUULLTA-UHFFFAOYSA-N 1 0 281.699 2.569 20 5 CFBDRO [NH3+][C@@H]1CCCCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602020085 350834237 /nfs/dbraw/zinc/83/42/37/350834237.db2.gz JIWYMSFSWMKZFL-DDJMYBDESA-N 1 0 289.379 2.811 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000602567755 350927451 /nfs/dbraw/zinc/92/74/51/350927451.db2.gz KWKUAHPUUFPAJR-BZUAXINKSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)sn1 ZINC000602580887 350933437 /nfs/dbraw/zinc/93/34/37/350933437.db2.gz PPSNRXQSGCHNQO-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602441341 350883631 /nfs/dbraw/zinc/88/36/31/350883631.db2.gz CMCKAVUICRATMW-RISCZKNCSA-N 1 0 293.367 2.536 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])n1 ZINC000602469782 350893592 /nfs/dbraw/zinc/89/35/92/350893592.db2.gz DTQAMABDRNJOSC-OAHLLOKOSA-N 1 0 290.367 2.651 20 5 CFBDRO CCC[C@@]1(C)CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475388 350897168 /nfs/dbraw/zinc/89/71/68/350897168.db2.gz VQEKFBXZGYIKFO-AWEZNQCLSA-N 1 0 280.372 2.731 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccns1 ZINC000602651050 350961695 /nfs/dbraw/zinc/96/16/95/350961695.db2.gz OSUKMAOXGYIJNH-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602672705 350971604 /nfs/dbraw/zinc/97/16/04/350971604.db2.gz FTYBEQORHIWIJI-LLVKDONJSA-N 1 0 293.323 2.641 20 5 CFBDRO CCC1([NH+](C)C)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000602739084 351009155 /nfs/dbraw/zinc/00/91/55/351009155.db2.gz QNOMNMYUBMXZEW-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO CC(C)(F)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602711861 350994000 /nfs/dbraw/zinc/99/40/00/350994000.db2.gz RCMOZPLLBYBKQS-UHFFFAOYSA-N 1 0 254.305 2.865 20 5 CFBDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602731828 351005045 /nfs/dbraw/zinc/00/50/45/351005045.db2.gz YECSDFDSYGTCLA-VSQXVHSFSA-N 1 0 278.356 2.507 20 5 CFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(F)F ZINC000602638003 350956178 /nfs/dbraw/zinc/95/61/78/350956178.db2.gz QCYOCUCHLPQPGI-CBAPKCEASA-N 1 0 296.277 2.604 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000602773149 351020344 /nfs/dbraw/zinc/02/03/44/351020344.db2.gz RBWJHIINCVIIAF-GFCCVEGCSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000602785226 351024882 /nfs/dbraw/zinc/02/48/82/351024882.db2.gz SNYQUQUASJZOPU-KWCYVHTRSA-N 1 0 292.383 2.753 20 5 CFBDRO C[C@@H]1OCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796777 351029355 /nfs/dbraw/zinc/02/93/55/351029355.db2.gz FTFNBHHPAYFPST-JSGCOSHPSA-N 1 0 290.363 2.984 20 5 CFBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602805073 351032935 /nfs/dbraw/zinc/03/29/35/351032935.db2.gz LOJJMZWYWHFMMX-ZDUSSCGKSA-N 1 0 280.372 2.777 20 5 CFBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000602836490 351040628 /nfs/dbraw/zinc/04/06/28/351040628.db2.gz FWCKANQTRHYEPB-GRYCIOLGSA-N 1 0 280.372 2.633 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602836457 351040648 /nfs/dbraw/zinc/04/06/48/351040648.db2.gz FBZUZEWSDKSDQF-WCQYABFASA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000602839315 351041810 /nfs/dbraw/zinc/04/18/10/351041810.db2.gz YDBGBWNBQCFBKQ-ZDUSSCGKSA-N 1 0 294.399 2.858 20 5 CFBDRO CSC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000602922361 351066881 /nfs/dbraw/zinc/06/68/81/351066881.db2.gz SVTFAQCVENYWON-UHFFFAOYSA-N 1 0 296.392 2.801 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602743618 351011905 /nfs/dbraw/zinc/01/19/05/351011905.db2.gz VTRIZUUJVKZFOA-ZDUSSCGKSA-N 1 0 292.383 2.731 20 5 CFBDRO CC(C)=CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962330 351073261 /nfs/dbraw/zinc/07/32/61/351073261.db2.gz JFSPNWMVWOUOAT-OAHLLOKOSA-N 1 0 278.352 2.748 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1c(OC)cccc1[N+](=O)[O-] ZINC000565231085 290286027 /nfs/dbraw/zinc/28/60/27/290286027.db2.gz YIYSUDWIJZBZQG-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO CN(CCCC[NH+]1CCCCC1)c1cccnc1[N+](=O)[O-] ZINC000603422956 351161111 /nfs/dbraw/zinc/16/11/11/351161111.db2.gz KLTLANODZAQQJP-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000604409246 351211352 /nfs/dbraw/zinc/21/13/52/351211352.db2.gz IIETXWHBKJCUQV-VHSXEESVSA-N 1 0 267.354 2.695 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000609385552 351499803 /nfs/dbraw/zinc/49/98/03/351499803.db2.gz AUENVMVVICXPGD-GFCCVEGCSA-N 1 0 283.397 2.619 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609385623 351500072 /nfs/dbraw/zinc/50/00/72/351500072.db2.gz CMHMLCGCRKMQCW-CQSZACIVSA-N 1 0 277.368 2.557 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000609540590 351505958 /nfs/dbraw/zinc/50/59/58/351505958.db2.gz IXWLARQKSRIDOS-LBPRGKRZSA-N 1 0 266.341 2.952 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609560715 351507239 /nfs/dbraw/zinc/50/72/39/351507239.db2.gz ZZQLMOLYBMJUFV-JTQLQIEISA-N 1 0 269.370 2.799 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000609570981 351508039 /nfs/dbraw/zinc/50/80/39/351508039.db2.gz HFXZACDUDXAQSU-UHFFFAOYSA-N 1 0 257.359 2.800 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000608982588 351482656 /nfs/dbraw/zinc/48/26/56/351482656.db2.gz UWJORFAXLOBPPZ-UHFFFAOYSA-N 1 0 282.303 2.761 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000608982475 351483029 /nfs/dbraw/zinc/48/30/29/351483029.db2.gz LKTGVMOGIGIEDJ-UHFFFAOYSA-N 1 0 282.303 2.761 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000609222582 351491957 /nfs/dbraw/zinc/49/19/57/351491957.db2.gz RZXAGNOYDPZLDP-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610133300 351535945 /nfs/dbraw/zinc/53/59/45/351535945.db2.gz BOSMICVGOUJZAO-VXGBXAGGSA-N 1 0 264.325 2.704 20 5 CFBDRO CCC(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295158829 199378397 /nfs/dbraw/zinc/37/83/97/199378397.db2.gz GJTHFOPIHWJBFS-UHFFFAOYSA-N 1 0 278.352 2.828 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000610275124 351547181 /nfs/dbraw/zinc/54/71/81/351547181.db2.gz GZHSZPGSYOYZBV-GFCCVEGCSA-N 1 0 293.367 2.570 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccsc1[N+](=O)[O-] ZINC000610282717 351549137 /nfs/dbraw/zinc/54/91/37/351549137.db2.gz JLNIXPALMCKOOL-LLVKDONJSA-N 1 0 283.397 2.967 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CC1CCCCC1)C1CC1 ZINC000610476233 351568980 /nfs/dbraw/zinc/56/89/80/351568980.db2.gz JWGLZWMDDWBUTR-UHFFFAOYSA-N 1 0 292.383 2.873 20 5 CFBDRO C[NH+](C)[C@]1(CNc2ccsc2[N+](=O)[O-])CCSC1 ZINC000610489077 351570042 /nfs/dbraw/zinc/57/00/42/351570042.db2.gz CTPZQKVPYKMBQV-NSHDSACASA-N 1 0 287.410 2.506 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)s1 ZINC000610514805 351575302 /nfs/dbraw/zinc/57/53/02/351575302.db2.gz VXCWDRSOKRSSEV-UHFFFAOYSA-N 1 0 269.370 2.944 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@@H]21 ZINC000610808062 351610289 /nfs/dbraw/zinc/61/02/89/351610289.db2.gz ZRIWBYQBINEWAN-QWRGUYRKSA-N 1 0 281.381 2.577 20 5 CFBDRO CCOc1cc(N2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000611084795 351638942 /nfs/dbraw/zinc/63/89/42/351638942.db2.gz UEVMMKBOQQFFDD-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179551 351648609 /nfs/dbraw/zinc/64/86/09/351648609.db2.gz DWWSAPMELWZBAC-JTQLQIEISA-N 1 0 286.278 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCOC2)C2CC2)cc1 ZINC000611211331 351652584 /nfs/dbraw/zinc/65/25/84/351652584.db2.gz SPJIMRPZSPTZCT-CQSZACIVSA-N 1 0 290.363 2.986 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254879 351659053 /nfs/dbraw/zinc/65/90/53/351659053.db2.gz WEOGKZLRGTWPMS-LLVKDONJSA-N 1 0 294.351 2.986 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611255567 351659132 /nfs/dbraw/zinc/65/91/32/351659132.db2.gz XBNFCJXAOCIBRQ-SNVBAGLBSA-N 1 0 292.335 2.596 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCOC(C)(C)C ZINC000610859807 351615669 /nfs/dbraw/zinc/61/56/69/351615669.db2.gz MXRLKTZRIGWDTM-UHFFFAOYSA-N 1 0 296.367 2.721 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000610959389 351625105 /nfs/dbraw/zinc/62/51/05/351625105.db2.gz UGCXZQQMABJPMD-QWHCGFSZSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1c(C[N@H+]2CCCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000610990753 351628395 /nfs/dbraw/zinc/62/83/95/351628395.db2.gz MAOQCVQAPAYZJF-NSHDSACASA-N 1 0 264.325 2.514 20 5 CFBDRO COCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000611543131 351706575 /nfs/dbraw/zinc/70/65/75/351706575.db2.gz UGRJIANMAJDKCX-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000611470231 351694129 /nfs/dbraw/zinc/69/41/29/351694129.db2.gz PJQBOHQNPXJYPA-MNOVXSKESA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000611470209 351694172 /nfs/dbraw/zinc/69/41/72/351694172.db2.gz MYIRZKIYKBLISS-MNOVXSKESA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cocn1 ZINC000611474520 351695179 /nfs/dbraw/zinc/69/51/79/351695179.db2.gz WXOZHBXTKJWEDF-LLVKDONJSA-N 1 0 275.308 2.694 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CC1 ZINC000611337432 351670234 /nfs/dbraw/zinc/67/02/34/351670234.db2.gz FCJQUSFMYGPAHS-IUODEOHRSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000611616931 351715668 /nfs/dbraw/zinc/71/56/68/351715668.db2.gz WFPGJSQKYDWUAF-GFCCVEGCSA-N 1 0 294.399 2.995 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCOC1 ZINC000612577296 351837899 /nfs/dbraw/zinc/83/78/99/351837899.db2.gz NGEOMTVSRDULSB-ZDUSSCGKSA-N 1 0 278.352 2.762 20 5 CFBDRO CC(C)(C)OCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612469106 351824809 /nfs/dbraw/zinc/82/48/09/351824809.db2.gz PPLZLFJKOCQCOQ-UHFFFAOYSA-N 1 0 293.367 2.553 20 5 CFBDRO COC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000612482580 351826343 /nfs/dbraw/zinc/82/63/43/351826343.db2.gz KETVXZHVJUBHOQ-OAHLLOKOSA-N 1 0 296.367 2.624 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000122224640 187021960 /nfs/dbraw/zinc/02/19/60/187021960.db2.gz JYZQPRVSBVKOKK-LLVKDONJSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000123303968 187083911 /nfs/dbraw/zinc/08/39/11/187083911.db2.gz JTMANHBMLYFYSI-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000123308497 187084544 /nfs/dbraw/zinc/08/45/44/187084544.db2.gz PTGTUQUOLINIHR-TXEJJXNPSA-N 1 0 264.325 2.846 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123342219 187086311 /nfs/dbraw/zinc/08/63/11/187086311.db2.gz QDUKZFUGKQXTJS-DOMZBBRYSA-N 1 0 277.368 2.509 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123783959 187108474 /nfs/dbraw/zinc/10/84/74/187108474.db2.gz GLYZMCGFTYGFDK-CJNGLKHVSA-N 1 0 292.379 2.763 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123807109 187109905 /nfs/dbraw/zinc/10/99/05/187109905.db2.gz AVGOURUPFDPWLP-GXTWGEPZSA-N 1 0 277.368 2.509 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123846642 187111386 /nfs/dbraw/zinc/11/13/86/187111386.db2.gz XSBKERYZVIFMBD-OCCSQVGLSA-N 1 0 278.352 2.720 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)c1 ZINC000614982756 352139790 /nfs/dbraw/zinc/13/97/90/352139790.db2.gz MNEIYTCSGOBLRZ-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cn[nH]c1 ZINC000271473436 191158942 /nfs/dbraw/zinc/15/89/42/191158942.db2.gz IRJFPBSTURIHTI-VXGBXAGGSA-N 1 0 288.351 2.990 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cn[nH]c1 ZINC000615835637 352247141 /nfs/dbraw/zinc/24/71/41/352247141.db2.gz WRONBKVQWCCSRF-SDQBBNPISA-N 1 0 286.335 2.853 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000616094648 352283963 /nfs/dbraw/zinc/28/39/63/352283963.db2.gz ODKBBLJBBACYOQ-SCRDCRAPSA-N 1 0 278.352 2.715 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292075323 198153849 /nfs/dbraw/zinc/15/38/49/198153849.db2.gz FALHMAAZLJCASD-ZDUSSCGKSA-N 1 0 291.395 2.904 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000271563684 191214747 /nfs/dbraw/zinc/21/47/47/191214747.db2.gz YCXHPUUYGBHCAX-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO CCOc1cc(C[NH2+][C@@]2(CC)CCOC2)ccc1[N+](=O)[O-] ZINC000617228055 352521369 /nfs/dbraw/zinc/52/13/69/352521369.db2.gz QVXNXOKBJSJGCI-HNNXBMFYSA-N 1 0 294.351 2.652 20 5 CFBDRO CC(C)(C)[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292233922 198212366 /nfs/dbraw/zinc/21/23/66/198212366.db2.gz WBOLJZGRDZPOAA-ZDUSSCGKSA-N 1 0 280.368 2.827 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000152515564 188025753 /nfs/dbraw/zinc/02/57/53/188025753.db2.gz DDGUUBFBOQHZGQ-SECBINFHSA-N 1 0 250.298 2.807 20 5 CFBDRO COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000152970956 188056729 /nfs/dbraw/zinc/05/67/29/188056729.db2.gz UJDBHIRAWHHNAD-STQMWFEESA-N 1 0 276.336 2.835 20 5 CFBDRO CSC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153642557 188094630 /nfs/dbraw/zinc/09/46/30/188094630.db2.gz KNRAKGVHPRDJTM-BXUZGUMPSA-N 1 0 298.408 2.668 20 5 CFBDRO C[C@H]1C[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000153830034 188106674 /nfs/dbraw/zinc/10/66/74/188106674.db2.gz ZMUAVCGYQOBUIG-ONGXEEELSA-N 1 0 298.774 2.562 20 5 CFBDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000271666643 191268362 /nfs/dbraw/zinc/26/83/62/191268362.db2.gz MFDFRBDENCBPOK-NSHDSACASA-N 1 0 262.309 2.592 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000154078209 188121715 /nfs/dbraw/zinc/12/17/15/188121715.db2.gz QLTAUFSUFCXDBP-NEPJUHHUSA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000007049195 539988723 /nfs/dbraw/zinc/98/87/23/539988723.db2.gz HBTBRDFFNWXQKY-QWRGUYRKSA-N 1 0 288.351 2.949 20 5 CFBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157818812 188340554 /nfs/dbraw/zinc/34/05/54/188340554.db2.gz LKGDVQSEZHRGAM-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292752750 198399358 /nfs/dbraw/zinc/39/93/58/198399358.db2.gz IPVXSYGTEQEIOC-ZDUSSCGKSA-N 1 0 298.408 2.933 20 5 CFBDRO CC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)COC1 ZINC000164367311 188623211 /nfs/dbraw/zinc/62/32/11/188623211.db2.gz GPJBZQHRWLHHMX-AWEZNQCLSA-N 1 0 290.363 2.542 20 5 CFBDRO C[C@@H](CCO)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000271794163 191332254 /nfs/dbraw/zinc/33/22/54/191332254.db2.gz HNZYYMCJZKYKTL-ZDUSSCGKSA-N 1 0 292.379 2.873 20 5 CFBDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173374441 188852167 /nfs/dbraw/zinc/85/21/67/188852167.db2.gz KRQGETIZXCTGCD-GFCCVEGCSA-N 1 0 288.351 2.612 20 5 CFBDRO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272530553 191770112 /nfs/dbraw/zinc/77/01/12/191770112.db2.gz OVITZUXCPPKUBW-STQMWFEESA-N 1 0 288.351 2.921 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272700839 191872178 /nfs/dbraw/zinc/87/21/78/191872178.db2.gz YNKLICUOUOEXIJ-ZJUUUORDSA-N 1 0 286.759 2.804 20 5 CFBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273002902 192014854 /nfs/dbraw/zinc/01/48/54/192014854.db2.gz RJZVSFNZNVZGOJ-JTQLQIEISA-N 1 0 279.315 2.796 20 5 CFBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273007759 192015279 /nfs/dbraw/zinc/01/52/79/192015279.db2.gz BJTFJNLGNMIZOW-CHWSQXEVSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000273007765 192015873 /nfs/dbraw/zinc/01/58/73/192015873.db2.gz BJTFJNLGNMIZOW-STQMWFEESA-N 1 0 278.352 2.890 20 5 CFBDRO CSCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293708825 198741432 /nfs/dbraw/zinc/74/14/32/198741432.db2.gz LVCGLMHQASPOHK-VIFPVBQESA-N 1 0 269.370 2.581 20 5 CFBDRO CC[NH2+]CCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000568074801 290522004 /nfs/dbraw/zinc/52/20/04/290522004.db2.gz UHQGPKCBZJLUDZ-OAHLLOKOSA-N 1 0 291.395 2.906 20 5 CFBDRO COCC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294929972 199255858 /nfs/dbraw/zinc/25/58/58/199255858.db2.gz DDFKPCZZZJMHGT-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1cnccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000296905588 200031688 /nfs/dbraw/zinc/03/16/88/200031688.db2.gz RAXCIHYHDWGCDA-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297188387 200108445 /nfs/dbraw/zinc/10/84/45/200108445.db2.gz FFFXWKSVKVWZGL-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO CCn1ccnc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000297668819 200257729 /nfs/dbraw/zinc/25/77/29/200257729.db2.gz KXLDSMSAUJCIGL-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177431632 189050592 /nfs/dbraw/zinc/05/05/92/189050592.db2.gz QVYJBMQXFNSBFM-NWDGAFQWSA-N 1 0 293.367 2.501 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178670650 189136396 /nfs/dbraw/zinc/13/63/96/189136396.db2.gz ILGFCIYJVRNEOL-PWSUYJOCSA-N 1 0 266.341 2.836 20 5 CFBDRO COCCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000178730163 189141206 /nfs/dbraw/zinc/14/12/06/189141206.db2.gz BLXBRCVHGWBEAW-NSHDSACASA-N 1 0 282.340 2.508 20 5 CFBDRO CCCNC(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299727573 200848127 /nfs/dbraw/zinc/84/81/27/200848127.db2.gz VLGMPDUMXOXTCX-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000301249151 200951311 /nfs/dbraw/zinc/95/13/11/200951311.db2.gz AJAGJKGGJBYELJ-UHFFFAOYSA-N 1 0 298.774 2.931 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000301430690 201006431 /nfs/dbraw/zinc/00/64/31/201006431.db2.gz GKSHWKFTBYTHGK-JTQLQIEISA-N 1 0 297.330 2.637 20 5 CFBDRO CCOc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000301507778 201036945 /nfs/dbraw/zinc/03/69/45/201036945.db2.gz HNJZWCGIRAMTBS-ZDUSSCGKSA-N 1 0 293.367 2.888 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183040908 189343771 /nfs/dbraw/zinc/34/37/71/189343771.db2.gz NYWFCKTWAMIJPX-ZYHUDNBSSA-N 1 0 293.367 2.866 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182890828 189338470 /nfs/dbraw/zinc/33/84/70/189338470.db2.gz HMZYNEREHFMHTQ-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000182881259 189338628 /nfs/dbraw/zinc/33/86/28/189338628.db2.gz WXIVDGVNVBTLBP-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c2ccccc2[nH+]1 ZINC000301711413 201152747 /nfs/dbraw/zinc/15/27/47/201152747.db2.gz IBVMGFIXVLOKAF-UHFFFAOYSA-N 1 0 297.318 2.760 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301762593 201182163 /nfs/dbraw/zinc/18/21/63/201182163.db2.gz BULBKCIWCSJNGK-VIFPVBQESA-N 1 0 285.294 2.768 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000301988553 201288333 /nfs/dbraw/zinc/28/83/33/201288333.db2.gz LPKFKKJKCDVSEQ-SWLSCSKDSA-N 1 0 277.368 2.761 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426224597 239182412 /nfs/dbraw/zinc/18/24/12/239182412.db2.gz BKABFZLBXUEZJC-KCPJHIHWSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1cc(NCCn2ccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104019 201341924 /nfs/dbraw/zinc/34/19/24/201341924.db2.gz WJMALOAAKUESTP-UHFFFAOYSA-N 1 0 297.318 2.760 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000187881638 189480103 /nfs/dbraw/zinc/48/01/03/189480103.db2.gz TVFSXQDSCMTPCV-NOLJZWGESA-N 1 0 292.379 2.809 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC2CC(O)C2)cccc1[N+](=O)[O-] ZINC000432450799 240009869 /nfs/dbraw/zinc/00/98/69/240009869.db2.gz YBWIVMJHTASHTE-HIFPTAJRSA-N 1 0 278.352 2.715 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000275241073 192972364 /nfs/dbraw/zinc/97/23/64/192972364.db2.gz OLBSKBJXNBGMQY-JSGCOSHPSA-N 1 0 294.351 2.521 20 5 CFBDRO Cc1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433810457 240180167 /nfs/dbraw/zinc/18/01/67/240180167.db2.gz KAKPTKANVCCZQK-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275533503 193068726 /nfs/dbraw/zinc/06/87/26/193068726.db2.gz YPWMGITWUONEIA-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CCO)CCCCC2)cc1 ZINC000440888062 240892516 /nfs/dbraw/zinc/89/25/16/240892516.db2.gz PCSBPXQARQKWGE-UHFFFAOYSA-N 1 0 292.379 2.812 20 5 CFBDRO CC1(C)CCCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000444015474 241109888 /nfs/dbraw/zinc/10/98/88/241109888.db2.gz UKKKLWNUJFVEOS-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444646017 241157522 /nfs/dbraw/zinc/15/75/22/241157522.db2.gz XZOUIKOFJYQANA-UWVGGRQHSA-N 1 0 274.324 2.701 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000444230608 241126991 /nfs/dbraw/zinc/12/69/91/241126991.db2.gz ZCYXVNNWJJCPKU-ZYHUDNBSSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)c1 ZINC000445675223 241232685 /nfs/dbraw/zinc/23/26/85/241232685.db2.gz KZRBUOJJTYWNEG-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO CC(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521590 241381276 /nfs/dbraw/zinc/38/12/76/241381276.db2.gz WPLZHEDANLPGGK-VXGBXAGGSA-N 1 0 266.345 2.521 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCSC1 ZINC000449290134 241822761 /nfs/dbraw/zinc/82/27/61/241822761.db2.gz DQVDUHTYAUGCJK-NEPJUHHUSA-N 1 0 280.393 2.869 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(F)F ZINC000449305220 241834279 /nfs/dbraw/zinc/83/42/79/241834279.db2.gz FHGWVWWAYJTYRV-SNVBAGLBSA-N 1 0 288.294 2.745 20 5 CFBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1[N+](=O)[O-] ZINC000424340271 299370565 /nfs/dbraw/zinc/37/05/65/299370565.db2.gz XTLQOUQARNYXJV-CYZMBNFOSA-N 1 0 263.341 2.515 20 5 CFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000449585406 242051279 /nfs/dbraw/zinc/05/12/79/242051279.db2.gz LGWCTQPMNHNVDN-AWEZNQCLSA-N 1 0 280.368 2.824 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)CC(C)(C)C ZINC000449589788 242053650 /nfs/dbraw/zinc/05/36/50/242053650.db2.gz SZJRKOIZXRWCBD-CYBMUJFWSA-N 1 0 298.358 2.963 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1 ZINC000449549840 242020369 /nfs/dbraw/zinc/02/03/69/242020369.db2.gz AWHPMKPPOQEPAX-FMKPAKJESA-N 1 0 290.363 2.578 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000449683551 242105819 /nfs/dbraw/zinc/10/58/19/242105819.db2.gz JGNHRTSRLXCUAG-HNNXBMFYSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449737323 242126221 /nfs/dbraw/zinc/12/62/21/242126221.db2.gz RPBOQUTVXNJHLI-DUVNUKRYSA-N 1 0 292.379 2.667 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271754377 294319295 /nfs/dbraw/zinc/31/92/95/294319295.db2.gz GPFBZVGPOKANLH-OUAUKWLOSA-N 1 0 252.314 2.669 20 5 CFBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@@H](C)C1 ZINC000452058699 243029752 /nfs/dbraw/zinc/02/97/52/243029752.db2.gz ACLNFRPGENVHCT-GRYCIOLGSA-N 1 0 280.372 2.633 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452075116 243036931 /nfs/dbraw/zinc/03/69/31/243036931.db2.gz HWKUGNHWULDLNC-LLVKDONJSA-N 1 0 280.372 2.586 20 5 CFBDRO Cc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000330907219 203376449 /nfs/dbraw/zinc/37/64/49/203376449.db2.gz NPOJPKNBXWTFCP-RYUDHWBXSA-N 1 0 291.351 2.715 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)c1ccccc1[N+](=O)[O-] ZINC000331017625 203469717 /nfs/dbraw/zinc/46/97/17/203469717.db2.gz YVDWCYDRBXWYIF-GLQYFDAESA-N 1 0 278.352 2.797 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000277524443 193680302 /nfs/dbraw/zinc/68/03/02/193680302.db2.gz QZSQZQLGHOUWGG-DGCLKSJQSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCCC1 ZINC000015376656 372083731 /nfs/dbraw/zinc/08/37/31/372083731.db2.gz QOCVAWWAUAPXDX-SNVBAGLBSA-N 1 0 288.307 2.802 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020087623 372226977 /nfs/dbraw/zinc/22/69/77/372226977.db2.gz SYBKKYKINPYPQK-GHMZBOCLSA-N 1 0 252.314 2.589 20 5 CFBDRO Cc1ccc([C@H](C)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000020091859 372227972 /nfs/dbraw/zinc/22/79/72/372227972.db2.gz FPXCRIGWCSHYHE-LBPRGKRZSA-N 1 0 265.357 2.506 20 5 CFBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035084456 372537213 /nfs/dbraw/zinc/53/72/13/372537213.db2.gz ZCGOHNPMXZYJSP-UHFFFAOYSA-N 1 0 277.246 2.587 20 5 CFBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084455 372537269 /nfs/dbraw/zinc/53/72/69/372537269.db2.gz FWGMPZMRFZWTSF-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000034995649 372527364 /nfs/dbraw/zinc/52/73/64/372527364.db2.gz PJMPGHOEEGXHQP-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000036794660 372596335 /nfs/dbraw/zinc/59/63/35/372596335.db2.gz PSRXKWJLVYSWCO-FZMZJTMJSA-N 1 0 293.367 2.550 20 5 CFBDRO CC[C@H]([NH2+]C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037010423 372627313 /nfs/dbraw/zinc/62/73/13/372627313.db2.gz VZIJFXMGJKCLNR-ZALBZXLWSA-N 1 0 278.352 2.939 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1 ZINC000037011392 372629806 /nfs/dbraw/zinc/62/98/06/372629806.db2.gz ZGWMTMXPFNBQMZ-UHFFFAOYSA-N 1 0 272.304 2.893 20 5 CFBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037126316 372652337 /nfs/dbraw/zinc/65/23/37/372652337.db2.gz SOZFUYBHYNAPOD-VXGBXAGGSA-N 1 0 293.367 2.502 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000037647746 372681642 /nfs/dbraw/zinc/68/16/42/372681642.db2.gz DUNWLUGPSYTGHM-SECBINFHSA-N 1 0 269.732 2.612 20 5 CFBDRO C[C@@H](CNCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000037997553 372755453 /nfs/dbraw/zinc/75/54/53/372755453.db2.gz HIYZZTMGAQHKLI-AWEZNQCLSA-N 1 0 291.395 2.806 20 5 CFBDRO Cc1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000043411943 372989455 /nfs/dbraw/zinc/98/94/55/372989455.db2.gz RDANXYRIRXXOAT-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000045629515 373023132 /nfs/dbraw/zinc/02/31/32/373023132.db2.gz XGSKRAAFVIWPKV-ZDUSSCGKSA-N 1 0 276.336 2.920 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000048054436 373141109 /nfs/dbraw/zinc/14/11/09/373141109.db2.gz WAMKWRWTLWKBAP-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])nc2)([NH+](C)C)C1 ZINC000048553449 373198168 /nfs/dbraw/zinc/19/81/68/373198168.db2.gz XNASTAXCEIBPNG-IUODEOHRSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000049963783 373338558 /nfs/dbraw/zinc/33/85/58/373338558.db2.gz DNPMSRRZSPHBSO-NSHDSACASA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CCO)c(Cl)c1 ZINC000050105180 373353570 /nfs/dbraw/zinc/35/35/70/373353570.db2.gz LEJJJWFEXQRIIT-LBPRGKRZSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000050269257 373368360 /nfs/dbraw/zinc/36/83/60/373368360.db2.gz KBACIVAYVZYEME-BXUZGUMPSA-N 1 0 262.309 2.938 20 5 CFBDRO C[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000050352067 373372963 /nfs/dbraw/zinc/37/29/63/373372963.db2.gz NFORTVXYQKZGHH-MRVPVSSYSA-N 1 0 257.721 2.610 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000052015326 373430251 /nfs/dbraw/zinc/43/02/51/373430251.db2.gz MAIWJFUJBPEAPS-STQMWFEESA-N 1 0 284.743 2.641 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1CC1 ZINC000053184852 373466560 /nfs/dbraw/zinc/46/65/60/373466560.db2.gz JXKFABYUPLOFRP-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO COc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252872334 220230058 /nfs/dbraw/zinc/23/00/58/220230058.db2.gz PBMPCXMFOGZRHX-RYUDHWBXSA-N 1 0 291.351 2.642 20 5 CFBDRO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075633 373746944 /nfs/dbraw/zinc/74/69/44/373746944.db2.gz IUBZVBVSXXQLGJ-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000062999674 373778106 /nfs/dbraw/zinc/77/81/06/373778106.db2.gz DFUVRNMWDQNBGO-MLGOLLRUSA-N 1 0 286.331 2.979 20 5 CFBDRO C[C@H]([NH2+]CCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000063133682 373786933 /nfs/dbraw/zinc/78/69/33/373786933.db2.gz XNCVVOKEGJMTFL-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065422862 373871105 /nfs/dbraw/zinc/87/11/05/373871105.db2.gz OMWFUSUPEFHSDT-LBPRGKRZSA-N 1 0 278.352 2.637 20 5 CFBDRO C[NH+]1CCC(C)(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000336830667 220245357 /nfs/dbraw/zinc/24/53/57/220245357.db2.gz BZOGHEBBKBVZQK-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069081865 374045205 /nfs/dbraw/zinc/04/52/05/374045205.db2.gz GDLITNJETDPECG-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070074607 374121280 /nfs/dbraw/zinc/12/12/80/374121280.db2.gz NARFVKYRRRYZLK-MNOVXSKESA-N 1 0 297.786 2.807 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000076059290 374526519 /nfs/dbraw/zinc/52/65/19/374526519.db2.gz GJLXNRKBXUJGQV-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO CCOc1cc(C[N@H+](C)CCSC)ccc1[N+](=O)[O-] ZINC000492791019 246387341 /nfs/dbraw/zinc/38/73/41/246387341.db2.gz QTPVGZQPAZKBEE-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081096208 374685115 /nfs/dbraw/zinc/68/51/15/374685115.db2.gz MLRAUKWBLTUSEO-YPMHNXCESA-N 1 0 297.424 2.818 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439743 374776500 /nfs/dbraw/zinc/77/65/00/374776500.db2.gz HRUYSLUKOXSLEY-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO CCCC[C@H](COC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512221 374914476 /nfs/dbraw/zinc/91/44/76/374914476.db2.gz OCMZATSMSDVZLA-CYBMUJFWSA-N 1 0 266.341 2.890 20 5 CFBDRO CCCC[C@@H](COC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512219 374914621 /nfs/dbraw/zinc/91/46/21/374914621.db2.gz OCMZATSMSDVZLA-ZDUSSCGKSA-N 1 0 266.341 2.890 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCSCC1 ZINC000089981316 374980479 /nfs/dbraw/zinc/98/04/79/374980479.db2.gz AWNPNYADXHCKIF-UHFFFAOYSA-N 1 0 252.339 2.534 20 5 CFBDRO Cc1cc(C)cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000090537790 375020090 /nfs/dbraw/zinc/02/00/90/375020090.db2.gz WKAHCHHTYTVZEZ-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO C[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)O ZINC000289483476 197369711 /nfs/dbraw/zinc/36/97/11/197369711.db2.gz BWXAVBKWLRRBSS-SECBINFHSA-N 1 0 286.759 2.839 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092623056 375131061 /nfs/dbraw/zinc/13/10/61/375131061.db2.gz AJOQLADCACLKRQ-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649575 375135232 /nfs/dbraw/zinc/13/52/32/375135232.db2.gz WECLSMQUWFRLQQ-LLVKDONJSA-N 1 0 263.341 2.798 20 5 CFBDRO COc1cc(C[N@H+](C)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000093475795 375249529 /nfs/dbraw/zinc/24/95/29/375249529.db2.gz OQYGVZUTHXZNHS-UHFFFAOYSA-N 1 0 280.324 2.596 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094942055 375392724 /nfs/dbraw/zinc/39/27/24/375392724.db2.gz FHJOBYWWQUARHH-RYUDHWBXSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000094948916 375395144 /nfs/dbraw/zinc/39/51/44/375395144.db2.gz UDRINCNBFMLLLN-OLZOCXBDSA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CS1 ZINC000094473107 375362780 /nfs/dbraw/zinc/36/27/80/375362780.db2.gz HAQRMZKQRMXZSC-ONGXEEELSA-N 1 0 252.339 2.578 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094797829 375381001 /nfs/dbraw/zinc/38/10/01/375381001.db2.gz QVJDJXLWEUNXCA-CQSZACIVSA-N 1 0 264.325 2.562 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410254 375673195 /nfs/dbraw/zinc/67/31/95/375673195.db2.gz BRGQPNMRZVHYJQ-AWEZNQCLSA-N 1 0 286.335 2.628 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420943518 296234306 /nfs/dbraw/zinc/23/43/06/296234306.db2.gz RCRVWSRHDZLYMX-FRRDWIJNSA-N 1 0 278.352 2.606 20 5 CFBDRO CC(C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111385829 375842757 /nfs/dbraw/zinc/84/27/57/375842757.db2.gz HHCUSNKPXGMVSM-UHFFFAOYSA-N 1 0 290.319 2.715 20 5 CFBDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000111636694 375860708 /nfs/dbraw/zinc/86/07/08/375860708.db2.gz MMLDYTDPEVRJEI-SECBINFHSA-N 1 0 292.257 2.824 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112076664 375882447 /nfs/dbraw/zinc/88/24/47/375882447.db2.gz UZCQFXZRWGCVQM-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112209078 375890166 /nfs/dbraw/zinc/89/01/66/375890166.db2.gz ZCXKVYGJPNEMIY-CHWSQXEVSA-N 1 0 275.352 2.942 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000112411755 375917942 /nfs/dbraw/zinc/91/79/42/375917942.db2.gz UODARJPBCSTGDP-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO CCn1nccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119498208 376424658 /nfs/dbraw/zinc/42/46/58/376424658.db2.gz NSUAOCJFNKMSCU-UHFFFAOYSA-N 1 0 288.351 2.836 20 5 CFBDRO CC(C)CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000119906114 376502486 /nfs/dbraw/zinc/50/24/86/376502486.db2.gz RQXHBKKLNDVJNO-AWEZNQCLSA-N 1 0 296.342 2.981 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCc2cn3ccccc3n2)n1 ZINC000120807275 376697273 /nfs/dbraw/zinc/69/72/73/376697273.db2.gz IOIAAVKSYGZMGO-UHFFFAOYSA-N 1 0 297.318 2.601 20 5 CFBDRO C[C@H]1C[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000121738583 376896264 /nfs/dbraw/zinc/89/62/64/376896264.db2.gz PXXWBEJQFBSEAQ-VHSXEESVSA-N 1 0 299.321 2.792 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000128001971 377313362 /nfs/dbraw/zinc/31/33/62/377313362.db2.gz JEBOHKIHTLCRFF-BTKRWWFXSA-N 1 0 276.336 2.719 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000133247933 377915916 /nfs/dbraw/zinc/91/59/16/377915916.db2.gz MZKNNCAGKFZVPK-QMMMGPOBSA-N 1 0 291.273 2.881 20 5 CFBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000133825489 377960812 /nfs/dbraw/zinc/96/08/12/377960812.db2.gz VWASTEZZNBRSII-BDAKNGLRSA-N 1 0 254.717 2.994 20 5 CFBDRO CCOc1cccc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000134913520 378061643 /nfs/dbraw/zinc/06/16/43/378061643.db2.gz VESBHSPDPHIDKA-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO CCOc1cccc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000134917333 378063228 /nfs/dbraw/zinc/06/32/28/378063228.db2.gz ZWWRDWXUKIZTOH-UHFFFAOYSA-N 1 0 279.340 2.501 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000135613888 378150424 /nfs/dbraw/zinc/15/04/24/378150424.db2.gz WAMSNLOFSCXRQH-GLQYFDAESA-N 1 0 278.352 2.939 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000135164301 378094042 /nfs/dbraw/zinc/09/40/42/378094042.db2.gz UCNLILSLQJWJBY-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150834252 378275165 /nfs/dbraw/zinc/27/51/65/378275165.db2.gz KMDITWRFPPAGMI-OAHLLOKOSA-N 1 0 289.379 2.513 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152976275 378463985 /nfs/dbraw/zinc/46/39/85/378463985.db2.gz XTAUKPGMEXHNSC-ZBFHGGJFSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1Cl ZINC000154210916 378548946 /nfs/dbraw/zinc/54/89/46/378548946.db2.gz XSBJGHVABVHMRL-CQSZACIVSA-N 1 0 296.754 2.861 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000330506829 378573489 /nfs/dbraw/zinc/57/34/89/378573489.db2.gz HMKHTNGCRXEPSP-GFCCVEGCSA-N 1 0 291.351 2.716 20 5 CFBDRO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000154526117 378576014 /nfs/dbraw/zinc/57/60/14/378576014.db2.gz NTRADRNHFYVGGM-YPMHNXCESA-N 1 0 293.367 2.598 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000331008650 378614931 /nfs/dbraw/zinc/61/49/31/378614931.db2.gz IGXCEFWNTKVZPO-UWVGGRQHSA-N 1 0 295.314 2.545 20 5 CFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331269937 378661406 /nfs/dbraw/zinc/66/14/06/378661406.db2.gz AETOWBKPFRVKEV-JMSVASOKSA-N 1 0 278.352 2.576 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000331417858 378686559 /nfs/dbraw/zinc/68/65/59/378686559.db2.gz DJNGOVAPHQZTGW-ZJUUUORDSA-N 1 0 274.324 2.701 20 5 CFBDRO CCOC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000159196676 378692947 /nfs/dbraw/zinc/69/29/47/378692947.db2.gz GVHRIQWYSSGQQS-UHFFFAOYSA-N 1 0 258.343 2.561 20 5 CFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332247150 378739836 /nfs/dbraw/zinc/73/98/36/378739836.db2.gz XDFKVOGJAPZPBZ-CQSZACIVSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332045631 378720564 /nfs/dbraw/zinc/72/05/64/378720564.db2.gz LPABCJZBNQPZGV-WDEREUQCSA-N 1 0 292.335 2.692 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332065679 378724121 /nfs/dbraw/zinc/72/41/21/378724121.db2.gz RUULZDQKRWEZKO-ZDUSSCGKSA-N 1 0 292.335 2.836 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000161312207 378839864 /nfs/dbraw/zinc/83/98/64/378839864.db2.gz ITEQZGHNWBIOFN-ZDUSSCGKSA-N 1 0 292.383 2.770 20 5 CFBDRO Cc1nc(N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000161520812 378852435 /nfs/dbraw/zinc/85/24/35/378852435.db2.gz JDKNLAOYXRCRFO-LLVKDONJSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000163594250 378981152 /nfs/dbraw/zinc/98/11/52/378981152.db2.gz UBMBDTFDXYDTGJ-NSHDSACASA-N 1 0 294.351 2.977 20 5 CFBDRO CC(C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278613812 194069726 /nfs/dbraw/zinc/06/97/26/194069726.db2.gz GUPYIJVIARJTCD-VIFPVBQESA-N 1 0 262.313 2.605 20 5 CFBDRO C[NH+]1CCC(CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000164325974 379013388 /nfs/dbraw/zinc/01/33/88/379013388.db2.gz ZHJWQEZTJJQXJR-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000166116280 379049995 /nfs/dbraw/zinc/04/99/95/379049995.db2.gz NFAOSNJYFZHURO-ZJUUUORDSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278689724 194104451 /nfs/dbraw/zinc/10/44/51/194104451.db2.gz MTVMFLCRHWIWLQ-NXEZZACHSA-N 1 0 274.324 2.749 20 5 CFBDRO CC[N@@H+]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432333290 383737819 /nfs/dbraw/zinc/73/78/19/383737819.db2.gz BEPCKCBZLNYEBE-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180588 379511768 /nfs/dbraw/zinc/51/17/68/379511768.db2.gz UJNOFJLDKAKHTA-LLVKDONJSA-N 1 0 297.786 2.632 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC000173419637 379736836 /nfs/dbraw/zinc/73/68/36/379736836.db2.gz HRXOBZSYZABCPW-JXJLXUTGSA-N 1 0 262.309 2.565 20 5 CFBDRO CC(C)(C)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463569 379740379 /nfs/dbraw/zinc/74/03/79/379740379.db2.gz FQJLPWMZZIPFGQ-LBPRGKRZSA-N 1 0 292.383 2.912 20 5 CFBDRO CCCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174818415 379946974 /nfs/dbraw/zinc/94/69/74/379946974.db2.gz LUYWRNCXCJRTDP-UHFFFAOYSA-N 1 0 268.361 2.692 20 5 CFBDRO C[C@H](c1cccs1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176210781 380195397 /nfs/dbraw/zinc/19/53/97/380195397.db2.gz GBTHYRVMBOSTFG-SNVBAGLBSA-N 1 0 280.353 2.546 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H](C)C1 ZINC000452064625 383745880 /nfs/dbraw/zinc/74/58/80/383745880.db2.gz GPFIYBMPWPICOX-AVGNSLFASA-N 1 0 280.372 2.596 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178205754 380421360 /nfs/dbraw/zinc/42/13/60/380421360.db2.gz BZCVOYCRLYIDJR-WDEREUQCSA-N 1 0 279.340 2.558 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCSC2)c(F)c1 ZINC000336793476 380640964 /nfs/dbraw/zinc/64/09/64/380640964.db2.gz WWFNSBGECIINHO-JTQLQIEISA-N 1 0 270.329 2.719 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353804510 380865812 /nfs/dbraw/zinc/86/58/12/380865812.db2.gz MWIZKKLLGNDBNN-KGLIPLIRSA-N 1 0 291.395 2.818 20 5 CFBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347004007 380868143 /nfs/dbraw/zinc/86/81/43/380868143.db2.gz MLYOMGGKTWXDAG-AWEZNQCLSA-N 1 0 291.395 2.760 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295530479 380919512 /nfs/dbraw/zinc/91/95/12/380919512.db2.gz NHCUTXDMWBORQF-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000341322166 380933347 /nfs/dbraw/zinc/93/33/47/380933347.db2.gz BABYRHBIZCZEFG-FOGDFJRCSA-N 1 0 266.341 2.713 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347231119 381018343 /nfs/dbraw/zinc/01/83/43/381018343.db2.gz YCXZVGZYHOBSLV-PODYEWJSSA-N 1 0 289.379 2.539 20 5 CFBDRO Cc1cnc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000295703200 381026624 /nfs/dbraw/zinc/02/66/24/381026624.db2.gz MLTSPOIRLGTZIS-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000182156380 381006096 /nfs/dbraw/zinc/00/60/96/381006096.db2.gz GCFFOSWFAUDZGY-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411952710 381071701 /nfs/dbraw/zinc/07/17/01/381071701.db2.gz RIRVJIBUFBZOBU-ABAIWWIYSA-N 1 0 278.352 2.888 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182245244 381036988 /nfs/dbraw/zinc/03/69/88/381036988.db2.gz QOWJYJDBAHIDDB-NSHDSACASA-N 1 0 264.325 2.594 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000368625372 381087546 /nfs/dbraw/zinc/08/75/46/381087546.db2.gz PJKHYGSCJVYUJM-GJZGRUSLSA-N 1 0 276.336 2.560 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000347356068 381093742 /nfs/dbraw/zinc/09/37/42/381093742.db2.gz KQEYYDYCBQALNJ-RCBBPTIPSA-N 1 0 290.363 2.845 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000347356061 381094617 /nfs/dbraw/zinc/09/46/17/381094617.db2.gz KQEYYDYCBQALNJ-LRFDDAOPSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077339 381147396 /nfs/dbraw/zinc/14/73/96/381147396.db2.gz JWKJJVNUZRBHRI-PWSUYJOCSA-N 1 0 298.770 2.841 20 5 CFBDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000289787368 381156326 /nfs/dbraw/zinc/15/63/26/381156326.db2.gz NBERCHUQOYFZAB-VIFPVBQESA-N 1 0 292.364 2.648 20 5 CFBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289729451 381124160 /nfs/dbraw/zinc/12/41/60/381124160.db2.gz DGYBRCJTKSRXHB-HNNXBMFYSA-N 1 0 286.335 2.547 20 5 CFBDRO Cc1cnc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000296026072 381216847 /nfs/dbraw/zinc/21/68/47/381216847.db2.gz OROYTDIOVMVZFV-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000289862645 381193646 /nfs/dbraw/zinc/19/36/46/381193646.db2.gz OOSGWLPHLYZKSX-LLVKDONJSA-N 1 0 285.413 2.866 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C(C)C)C(C)C ZINC000183038544 381202173 /nfs/dbraw/zinc/20/21/73/381202173.db2.gz QEDIHDLTTKXNFK-UHFFFAOYSA-N 1 0 293.367 2.961 20 5 CFBDRO CO[C@H](C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289895258 381206528 /nfs/dbraw/zinc/20/65/28/381206528.db2.gz WPPJECYWPLDAIM-WAFBPQNNSA-N 1 0 264.325 2.575 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)n1 ZINC000359081558 381253854 /nfs/dbraw/zinc/25/38/54/381253854.db2.gz JTDHTSDZYMKQON-UHFFFAOYSA-N 1 0 292.383 2.895 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000359086556 381257291 /nfs/dbraw/zinc/25/72/91/381257291.db2.gz VLSFTHWRYQBMQE-LLVKDONJSA-N 1 0 292.383 2.750 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000342297105 381257888 /nfs/dbraw/zinc/25/78/88/381257888.db2.gz KIUOUYZWXFQCAZ-RYUDHWBXSA-N 1 0 252.289 2.883 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000359105045 381267069 /nfs/dbraw/zinc/26/70/69/381267069.db2.gz WKAUUURMQNXDAC-NWDGAFQWSA-N 1 0 278.356 2.501 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000359105048 381267223 /nfs/dbraw/zinc/26/72/23/381267223.db2.gz WKAUUURMQNXDAC-RYUDHWBXSA-N 1 0 278.356 2.501 20 5 CFBDRO CC(C)SCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000289941560 381227408 /nfs/dbraw/zinc/22/74/08/381227408.db2.gz BCOHNTRHAQCKTH-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)cs1 ZINC000342235906 381228508 /nfs/dbraw/zinc/22/85/08/381228508.db2.gz AMUPBGIYQRWNJL-GHMZBOCLSA-N 1 0 284.381 2.545 20 5 CFBDRO CC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000342356196 381292828 /nfs/dbraw/zinc/29/28/28/381292828.db2.gz GDFZVAZMVKBJNJ-GWCFXTLKSA-N 1 0 291.351 2.692 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000290158885 381324308 /nfs/dbraw/zinc/32/43/08/381324308.db2.gz LUPPNWXJWNAYGM-JSGCOSHPSA-N 1 0 280.368 2.931 20 5 CFBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183697082 381307610 /nfs/dbraw/zinc/30/76/10/381307610.db2.gz IPGMZQAOIOVUFI-LBPRGKRZSA-N 1 0 294.351 2.677 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000369961850 381357186 /nfs/dbraw/zinc/35/71/86/381357186.db2.gz MDESQLNOVDFQSI-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000370055830 381375085 /nfs/dbraw/zinc/37/50/85/381375085.db2.gz NHIFTOJSANYIOQ-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000184141050 381376778 /nfs/dbraw/zinc/37/67/78/381376778.db2.gz LYDIHSIVRHOGCX-UHFFFAOYSA-N 1 0 290.294 2.772 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000342566471 381400132 /nfs/dbraw/zinc/40/01/32/381400132.db2.gz IHHXGMHXWVAOKD-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO CC(C)C[C@H](CO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290375437 381403330 /nfs/dbraw/zinc/40/33/30/381403330.db2.gz HSPXXKHLVPRAHM-PMGBHYCQSA-N 1 0 292.379 2.947 20 5 CFBDRO CCC(=O)c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000359533817 381454964 /nfs/dbraw/zinc/45/49/64/381454964.db2.gz QSZYRHAWZHPJHM-UHFFFAOYSA-N 1 0 282.365 2.841 20 5 CFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[N@H+](C)C1CC1 ZINC000290527475 381465842 /nfs/dbraw/zinc/46/58/42/381465842.db2.gz QKYKLAIUEDYFKO-FNORWQNLSA-N 1 0 289.379 2.634 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342727313 381503941 /nfs/dbraw/zinc/50/39/41/381503941.db2.gz BWCHSHVGMMKEEW-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OC)CC1 ZINC000370723309 381499399 /nfs/dbraw/zinc/49/93/99/381499399.db2.gz HBKPTCYZIXSRDK-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348386413 381544279 /nfs/dbraw/zinc/54/42/79/381544279.db2.gz MLJLQOHBQSHYFZ-KOLCDFICSA-N 1 0 274.324 2.749 20 5 CFBDRO CN(CC[NH+](C)C)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342793954 381545794 /nfs/dbraw/zinc/54/57/94/381545794.db2.gz WAHBQMRUFRWSQN-UHFFFAOYSA-N 1 0 292.166 2.899 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCC[C@H]1O ZINC000185167867 381551524 /nfs/dbraw/zinc/55/15/24/381551524.db2.gz HRTMRFGIXACTLF-RLWBPUTGSA-N 1 0 276.336 2.501 20 5 CFBDRO CCC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000342851031 381585037 /nfs/dbraw/zinc/58/50/37/381585037.db2.gz ZVWRKYNKYWNVSI-UHFFFAOYSA-N 1 0 274.324 2.749 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000298364837 381594308 /nfs/dbraw/zinc/59/43/08/381594308.db2.gz ACLCCFUDWSLWLN-GFCCVEGCSA-N 1 0 293.367 2.534 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000348542116 381619039 /nfs/dbraw/zinc/61/90/39/381619039.db2.gz ATMCFGHRSHUKHH-IEWAYXNBSA-N 1 0 290.363 2.843 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000348547009 381626603 /nfs/dbraw/zinc/62/66/03/381626603.db2.gz NTISBRWADKXUTN-IQCBXXCUSA-N 1 0 289.379 2.634 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355203319 381673871 /nfs/dbraw/zinc/67/38/71/381673871.db2.gz DUDNOLFIRJESDV-DZGCQCFKSA-N 1 0 290.363 2.843 20 5 CFBDRO COc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291222563 381713310 /nfs/dbraw/zinc/71/33/10/381713310.db2.gz JNNNOXINAICKJT-CYBMUJFWSA-N 1 0 294.351 2.603 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000360034781 381742270 /nfs/dbraw/zinc/74/22/70/381742270.db2.gz FSLAMERPSSDFAP-RAIGVLPGSA-N 1 0 296.392 2.950 20 5 CFBDRO Cc1cc(N(CC[NH+](C)C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000360049096 381751227 /nfs/dbraw/zinc/75/12/27/381751227.db2.gz BGQXUUPCQDMFRE-UHFFFAOYSA-N 1 0 283.347 2.819 20 5 CFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335005 381761239 /nfs/dbraw/zinc/76/12/39/381761239.db2.gz NFKVBEFMCUQMSZ-RYUDHWBXSA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000361386426 381823218 /nfs/dbraw/zinc/82/32/18/381823218.db2.gz KGSZFFVGGHSIPD-SMDDNHRTSA-N 1 0 264.325 2.672 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000349206424 381848068 /nfs/dbraw/zinc/84/80/68/381848068.db2.gz BJVNOAISUDIZLB-AAEUAGOBSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[C@H]1CCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292886919 381886317 /nfs/dbraw/zinc/88/63/17/381886317.db2.gz YKKGTQYBRXHAPF-NSHDSACASA-N 1 0 280.324 2.596 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356867733 381874310 /nfs/dbraw/zinc/87/43/10/381874310.db2.gz MYCJEYONGXEJAV-OCCSQVGLSA-N 1 0 278.352 2.542 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000349367180 381910114 /nfs/dbraw/zinc/91/01/14/381910114.db2.gz LBLPUIGQJANBME-ARRLWOLASA-N 1 0 290.363 2.701 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000343826411 381966134 /nfs/dbraw/zinc/96/61/34/381966134.db2.gz BILYZPMRVFBMCH-JTQLQIEISA-N 1 0 299.346 2.885 20 5 CFBDRO Cc1cc(N[C@H](C)C[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000343802003 381950253 /nfs/dbraw/zinc/95/02/53/381950253.db2.gz HBRDTQFJKCDYIK-LLVKDONJSA-N 1 0 288.351 2.813 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000373442165 382005356 /nfs/dbraw/zinc/00/53/56/382005356.db2.gz LFOPVDKPANHNNQ-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO CO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000293147859 382007693 /nfs/dbraw/zinc/00/76/93/382007693.db2.gz URMJEQJKDILDAM-DRDHIDPGSA-N 1 0 276.336 2.623 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000343849150 381981391 /nfs/dbraw/zinc/98/13/91/381981391.db2.gz HEJUCHXYBJBJLL-NXEZZACHSA-N 1 0 297.330 2.637 20 5 CFBDRO COc1ccc(C[NH2+]CCC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000293103244 381991939 /nfs/dbraw/zinc/99/19/39/381991939.db2.gz XYJPBTJWCFLHCT-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293238807 382044355 /nfs/dbraw/zinc/04/43/55/382044355.db2.gz YWDJURZUXXKLSO-OAHLLOKOSA-N 1 0 292.379 2.872 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000417357787 382054730 /nfs/dbraw/zinc/05/47/30/382054730.db2.gz SCKNDASZPNPMPY-GFCCVEGCSA-N 1 0 277.368 2.648 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186984225 382067535 /nfs/dbraw/zinc/06/75/35/382067535.db2.gz YSSUISRXMKKGOB-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301198030 382103441 /nfs/dbraw/zinc/10/34/41/382103441.db2.gz LGEYYPOPZNJRPN-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000357325671 382109447 /nfs/dbraw/zinc/10/94/47/382109447.db2.gz VBGWGCUECWXTRT-UHFFFAOYSA-N 1 0 289.282 2.560 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351976848 382101681 /nfs/dbraw/zinc/10/16/81/382101681.db2.gz CUCNVHYLRKTEHO-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2C)CC1 ZINC000357457038 382178884 /nfs/dbraw/zinc/17/88/84/382178884.db2.gz UHEXWHFWHZLYAS-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301603617 382180594 /nfs/dbraw/zinc/18/05/94/382180594.db2.gz LDOCEVGJJIKVFV-ZDUSSCGKSA-N 1 0 277.368 2.985 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000301327719 382149664 /nfs/dbraw/zinc/14/96/64/382149664.db2.gz BZHKYFMVCLZRPD-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CC(C)CCOCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293579785 382184381 /nfs/dbraw/zinc/18/43/81/382184381.db2.gz DXFIXSAAYIHQFO-LBPRGKRZSA-N 1 0 295.383 2.890 20 5 CFBDRO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000301352543 382155522 /nfs/dbraw/zinc/15/55/22/382155522.db2.gz KSSFZIUGUWQZQM-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293525832 382158698 /nfs/dbraw/zinc/15/86/98/382158698.db2.gz WNAKWAXLPYHCRT-CMPLNLGQSA-N 1 0 291.351 2.572 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301500455 382173467 /nfs/dbraw/zinc/17/34/67/382173467.db2.gz DLZQPHZTWYOQBG-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO C[C@H](C[NH+]1CCCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000187566452 382212506 /nfs/dbraw/zinc/21/25/06/382212506.db2.gz WSLGJLUZKIRSQQ-CQSZACIVSA-N 1 0 291.395 2.949 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000293658447 382218206 /nfs/dbraw/zinc/21/82/06/382218206.db2.gz LCRKBLRQVRAIBF-JTQLQIEISA-N 1 0 258.343 2.561 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187588102 382218541 /nfs/dbraw/zinc/21/85/41/382218541.db2.gz VGVFINBELCPWBT-OAHLLOKOSA-N 1 0 278.352 2.579 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccccc1 ZINC000362647134 382186785 /nfs/dbraw/zinc/18/67/85/382186785.db2.gz CGSPNIGEFBLRKO-GOEBONIOSA-N 1 0 298.346 2.847 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000352325194 382274673 /nfs/dbraw/zinc/27/46/73/382274673.db2.gz OMAGWEMSGVHUGA-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956923 382310065 /nfs/dbraw/zinc/31/00/65/382310065.db2.gz YPEGTKLVGMEJLN-CJNGLKHVSA-N 1 0 292.379 2.620 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@](CO)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000377652614 382312985 /nfs/dbraw/zinc/31/29/85/382312985.db2.gz OCVMDUKDDSQEDB-INIZCTEOSA-N 1 0 292.379 2.744 20 5 CFBDRO CCOc1cccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420293866 382345636 /nfs/dbraw/zinc/34/56/36/382345636.db2.gz YHQKTGLRVSQPJW-NWDGAFQWSA-N 1 0 293.367 2.923 20 5 CFBDRO CC(C)N(CC[NH+](C)C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000302829892 382330763 /nfs/dbraw/zinc/33/07/63/382330763.db2.gz PPSAFWUFGVVSHQ-UHFFFAOYSA-N 1 0 287.310 2.649 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000420284458 382339668 /nfs/dbraw/zinc/33/96/68/382339668.db2.gz OWGOQEMICTZHKT-BDAKNGLRSA-N 1 0 284.747 2.573 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420286670 382342021 /nfs/dbraw/zinc/34/20/21/382342021.db2.gz QOYBZBYBMJCNTN-VXGBXAGGSA-N 1 0 263.341 2.833 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188135195 382352655 /nfs/dbraw/zinc/35/26/55/382352655.db2.gz YWBMPYLBHKXWKT-BXUZGUMPSA-N 1 0 278.352 2.540 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000352524483 382379863 /nfs/dbraw/zinc/37/98/63/382379863.db2.gz BDIRYEMUKQQCML-LBPRGKRZSA-N 1 0 296.392 2.931 20 5 CFBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420359801 382382413 /nfs/dbraw/zinc/38/24/13/382382413.db2.gz KMAQOLLWURJALL-CYBMUJFWSA-N 1 0 297.786 2.726 20 5 CFBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000352543844 382389658 /nfs/dbraw/zinc/38/96/58/382389658.db2.gz KNRIDSQKALRECB-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352545809 382389819 /nfs/dbraw/zinc/38/98/19/382389819.db2.gz MADUMYKOWQFAMW-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO COc1cc(C[N@@H+](C[C@H](C)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000352545250 382390331 /nfs/dbraw/zinc/39/03/31/382390331.db2.gz HSJYRGPNXSNBQH-LBPRGKRZSA-N 1 0 296.367 2.849 20 5 CFBDRO C[NH2+]C[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297213 382348238 /nfs/dbraw/zinc/34/82/38/382348238.db2.gz RDMLFOPZUNHURX-QWHCGFSZSA-N 1 0 277.368 2.506 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000352558586 382396141 /nfs/dbraw/zinc/39/61/41/382396141.db2.gz ANKYLVFJJNKIEJ-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC([NH+](C)C)CC2)n1 ZINC000420622542 382431102 /nfs/dbraw/zinc/43/11/02/382431102.db2.gz GANCIPZWMRMLCO-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000305228888 382435229 /nfs/dbraw/zinc/43/52/29/382435229.db2.gz XBIKAPYLJYVLTF-CQSZACIVSA-N 1 0 292.379 2.923 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000352667573 382442843 /nfs/dbraw/zinc/44/28/43/382442843.db2.gz LKWGDGOWHLYSJL-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188468104 382419947 /nfs/dbraw/zinc/41/99/47/382419947.db2.gz LUYVBYYWUZRWBL-FZMZJTMJSA-N 1 0 293.367 2.502 20 5 CFBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294227871 382468134 /nfs/dbraw/zinc/46/81/34/382468134.db2.gz NZRFQTDMPBEWHD-AWEZNQCLSA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1ccc(CN(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000189006704 382522834 /nfs/dbraw/zinc/52/28/34/382522834.db2.gz LXBYTTHPBAWAFQ-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000037775526 184542319 /nfs/dbraw/zinc/54/23/19/184542319.db2.gz VFZBLZMQFGKAJR-GXSJLCMTSA-N 1 0 252.339 2.751 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294314255 382506821 /nfs/dbraw/zinc/50/68/21/382506821.db2.gz OAEPKCPFYPIYAI-JTQLQIEISA-N 1 0 281.356 2.500 20 5 CFBDRO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294885823 382538844 /nfs/dbraw/zinc/53/88/44/382538844.db2.gz GMBVFYLNLFADBJ-LLVKDONJSA-N 1 0 293.342 2.654 20 5 CFBDRO CC(C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353450612 382546038 /nfs/dbraw/zinc/54/60/38/382546038.db2.gz UQSFMWBGBOEPGP-CQSZACIVSA-N 1 0 288.351 2.663 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294952554 382547579 /nfs/dbraw/zinc/54/75/79/382547579.db2.gz CELVWMGWQNVYBQ-CQSZACIVSA-N 1 0 290.363 2.829 20 5 CFBDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358288860 382549927 /nfs/dbraw/zinc/54/99/27/382549927.db2.gz BXVBBAGPVDNSGU-LBPRGKRZSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000385610425 382572263 /nfs/dbraw/zinc/57/22/63/382572263.db2.gz GLSPPCFEEZLWBY-SUNKGSAMSA-N 1 0 264.325 2.608 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](C)(F)C1 ZINC000295313760 382614905 /nfs/dbraw/zinc/61/49/05/382614905.db2.gz GHHHSDMEPVKAEL-CQSZACIVSA-N 1 0 282.315 2.927 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353743797 382622697 /nfs/dbraw/zinc/62/26/97/382622697.db2.gz CWTGNXOGNAYFCQ-MRXNPFEDSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000353751867 382626485 /nfs/dbraw/zinc/62/64/85/382626485.db2.gz ZEFOBXJOVJPYAD-XJKSGUPXSA-N 1 0 291.395 2.899 20 5 CFBDRO CCc1ccc(OCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000396643702 382631497 /nfs/dbraw/zinc/63/14/97/382631497.db2.gz KOGZWBRRFWZRST-GFCCVEGCSA-N 1 0 264.325 2.536 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833517 382642384 /nfs/dbraw/zinc/64/23/84/382642384.db2.gz VEUFLHGEWRXDRL-LDYMZIIASA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833501 382642462 /nfs/dbraw/zinc/64/24/62/382642462.db2.gz VEUFLHGEWRXDRL-GZMMTYOYSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@@H]1CC[C@@H](CN(C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312258 382661713 /nfs/dbraw/zinc/66/17/13/382661713.db2.gz KQEBMTMTFIBJKL-YPMHNXCESA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190946363 382685994 /nfs/dbraw/zinc/68/59/94/382685994.db2.gz ZWWWHTOOPQKMPX-QWHCGFSZSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1c(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000191274665 382697398 /nfs/dbraw/zinc/69/73/98/382697398.db2.gz NRYXVYJKWNUNBO-GHMZBOCLSA-N 1 0 278.352 2.637 20 5 CFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191636786 382701575 /nfs/dbraw/zinc/70/15/75/382701575.db2.gz UIPOYGOVENGKGY-INIZCTEOSA-N 1 0 292.379 2.968 20 5 CFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191636805 382701726 /nfs/dbraw/zinc/70/17/26/382701726.db2.gz UIPOYGOVENGKGY-MRXNPFEDSA-N 1 0 292.379 2.968 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721445 382711441 /nfs/dbraw/zinc/71/14/41/382711441.db2.gz NWFWZCSIWGNAEA-CJNGLKHVSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCCCO)c1 ZINC000192907687 382713600 /nfs/dbraw/zinc/71/36/00/382713600.db2.gz DOCGHEWSSXKKBI-UHFFFAOYSA-N 1 0 272.732 2.500 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000193086701 382715486 /nfs/dbraw/zinc/71/54/86/382715486.db2.gz YHBYYDUXXDCJAM-IUODEOHRSA-N 1 0 294.351 2.789 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000336841751 382731797 /nfs/dbraw/zinc/73/17/97/382731797.db2.gz SHEDUYAHLRPJDN-SNVBAGLBSA-N 1 0 279.315 2.691 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194065069 382734085 /nfs/dbraw/zinc/73/40/85/382734085.db2.gz AXIFISVXBJPMTF-JTQLQIEISA-N 1 0 279.296 2.735 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000217628883 382787364 /nfs/dbraw/zinc/78/73/64/382787364.db2.gz RLGYINIOSYPFMM-RCBQFDQVSA-N 1 0 289.379 2.872 20 5 CFBDRO Cc1cccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000218835054 382790869 /nfs/dbraw/zinc/79/08/69/382790869.db2.gz DENPQIKDUAMOII-LBPRGKRZSA-N 1 0 275.352 2.799 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000336893919 382738284 /nfs/dbraw/zinc/73/82/84/382738284.db2.gz VHXHFFCHNVKAEG-HNNXBMFYSA-N 1 0 298.342 2.997 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000219241575 382792728 /nfs/dbraw/zinc/79/27/28/382792728.db2.gz UGVPIDNOFPGFRD-WCQYABFASA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219239631 382792826 /nfs/dbraw/zinc/79/28/26/382792826.db2.gz BWJOAKZKLRFCBE-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCSC1 ZINC000280076764 194693110 /nfs/dbraw/zinc/69/31/10/194693110.db2.gz MPDNLNJJPBYSAG-LLVKDONJSA-N 1 0 266.366 2.746 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000224004653 382808673 /nfs/dbraw/zinc/80/86/73/382808673.db2.gz XBVJXFHHXQRCDF-HNNXBMFYSA-N 1 0 278.352 2.686 20 5 CFBDRO CCOC1CC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000224451007 382811131 /nfs/dbraw/zinc/81/11/31/382811131.db2.gz CIOMMSPQAPBVLH-VOMCLLRMSA-N 1 0 264.325 2.813 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576330298 382818701 /nfs/dbraw/zinc/81/87/01/382818701.db2.gz SRXFYSXKNVHOSN-JMPLFQLZSA-N 1 0 290.363 2.820 20 5 CFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000337481455 382828854 /nfs/dbraw/zinc/82/88/54/382828854.db2.gz QUQRRKTWOBKINY-DZGCQCFKSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337485480 382829085 /nfs/dbraw/zinc/82/90/85/382829085.db2.gz YJYCCSACQBDPIQ-SMDDNHRTSA-N 1 0 291.351 2.702 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227266950 382834723 /nfs/dbraw/zinc/83/47/23/382834723.db2.gz ZXKWBMLDSRBEDV-UHFFFAOYSA-N 1 0 286.763 2.785 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000227549765 382837736 /nfs/dbraw/zinc/83/77/36/382837736.db2.gz HHXBRQZTJYGAOD-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO CC[C@H]([NH2+]CCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228028279 382843834 /nfs/dbraw/zinc/84/38/34/382843834.db2.gz BMBCFCFDGDZGON-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000230142691 382855892 /nfs/dbraw/zinc/85/58/92/382855892.db2.gz STRXPERSXJVHOJ-JTQLQIEISA-N 1 0 297.786 2.821 20 5 CFBDRO C[N@@H+]1CC[C@H](CSc2cccc([N+](=O)[O-])c2)C1 ZINC000337737716 382860103 /nfs/dbraw/zinc/86/01/03/382860103.db2.gz BIONNEPASYVJDV-JTQLQIEISA-N 1 0 252.339 2.639 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025689 382884887 /nfs/dbraw/zinc/88/48/87/382884887.db2.gz AQENYZMILNCEQX-KBPBESRZSA-N 1 0 278.352 2.579 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000236849163 382923909 /nfs/dbraw/zinc/92/39/09/382923909.db2.gz DDFDCFOQMHMSKO-LBPRGKRZSA-N 1 0 294.351 2.510 20 5 CFBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245520611 383004410 /nfs/dbraw/zinc/00/44/10/383004410.db2.gz JVJCWSFQLQJTQW-NWDGAFQWSA-N 1 0 294.351 2.705 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1CCOC1 ZINC000245532480 383004659 /nfs/dbraw/zinc/00/46/59/383004659.db2.gz URHFJBCAUGYNAN-CHWSQXEVSA-N 1 0 278.352 2.933 20 5 CFBDRO O=[N+]([O-])c1cccc2c(NCC[N@H+]3CC=CCC3)ccnc21 ZINC000338710429 383029421 /nfs/dbraw/zinc/02/94/21/383029421.db2.gz HNSYOROOUWBWFI-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000579638601 383038245 /nfs/dbraw/zinc/03/82/45/383038245.db2.gz AZSAUSQSWBRSPK-ZDUSSCGKSA-N 1 0 292.335 2.740 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000551275008 383038778 /nfs/dbraw/zinc/03/87/78/383038778.db2.gz XUDJZISFHNYJSC-IAQYHMDHSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423364663 383065021 /nfs/dbraw/zinc/06/50/21/383065021.db2.gz CQXLRUSHOQFNNP-SGMGOOAPSA-N 1 0 277.368 2.552 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423375286 383070913 /nfs/dbraw/zinc/07/09/13/383070913.db2.gz ILVVSPGZLGAICC-VXGBXAGGSA-N 1 0 295.383 2.642 20 5 CFBDRO Cc1c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246924414 383121582 /nfs/dbraw/zinc/12/15/82/383121582.db2.gz QDTSLRRIKLYKLY-WFASDCNBSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000554095508 383124573 /nfs/dbraw/zinc/12/45/73/383124573.db2.gz GCTVPMBQQCQNPY-GGVZMXCHSA-N 1 0 256.252 2.899 20 5 CFBDRO CC[N@H+](CCC1CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339092808 383146113 /nfs/dbraw/zinc/14/61/13/383146113.db2.gz CTHPBTOFBDJHTQ-UHFFFAOYSA-N 1 0 264.325 2.922 20 5 CFBDRO CCC[C@H](N[C@@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448140 383099547 /nfs/dbraw/zinc/09/95/47/383099547.db2.gz PTTTVXYKVGLYCM-MJVIPROJSA-N 1 0 265.357 2.761 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246798416 383105158 /nfs/dbraw/zinc/10/51/58/383105158.db2.gz ROSHUNWWTLZEIR-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO CCC[C@H](NC[C@@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469305 383107662 /nfs/dbraw/zinc/10/76/62/383107662.db2.gz OTWMWXDZKMWDBI-JSGCOSHPSA-N 1 0 265.357 2.763 20 5 CFBDRO CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423478680 383113156 /nfs/dbraw/zinc/11/31/56/383113156.db2.gz NOHMHBZERRLZLS-STQMWFEESA-N 1 0 299.321 2.633 20 5 CFBDRO C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000449092002 383171155 /nfs/dbraw/zinc/17/11/55/383171155.db2.gz SHSPOLIHLYQLKK-LLVKDONJSA-N 1 0 260.293 2.909 20 5 CFBDRO CCN1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449093897 383171883 /nfs/dbraw/zinc/17/18/83/383171883.db2.gz QHYAMBXLBYCZFZ-DZGCQCFKSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCO)CC1 ZINC000517383267 383179392 /nfs/dbraw/zinc/17/93/92/383179392.db2.gz JTWSGDORWSWMGJ-LBPRGKRZSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnccn3)C2)cc1 ZINC000518482864 383199223 /nfs/dbraw/zinc/19/92/23/383199223.db2.gz HTWIBWNYEORIQK-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC23CC3)c1 ZINC000424183570 383200329 /nfs/dbraw/zinc/20/03/29/383200329.db2.gz JRFCKYBPXXGLJJ-LLVKDONJSA-N 1 0 284.262 2.838 20 5 CFBDRO COc1cc(C[N@H+](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000566735647 383206363 /nfs/dbraw/zinc/20/63/63/383206363.db2.gz DACMHAZDBIDIEF-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO CC(C)OCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059454 383155735 /nfs/dbraw/zinc/15/57/35/383155735.db2.gz ATWAZSBZRYBSSN-CYBMUJFWSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000449063349 383157963 /nfs/dbraw/zinc/15/79/63/383157963.db2.gz PGKFXMKPDAGMHN-LBPRGKRZSA-N 1 0 274.320 2.951 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccnc1 ZINC000449076639 383163740 /nfs/dbraw/zinc/16/37/40/383163740.db2.gz PWNDYFQMQHRXAS-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC1(C)C ZINC000520603874 383265243 /nfs/dbraw/zinc/26/52/43/383265243.db2.gz DKMJUOIBSKFRBA-CYBMUJFWSA-N 1 0 291.351 2.620 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCOC1 ZINC000567405972 383272032 /nfs/dbraw/zinc/27/20/32/383272032.db2.gz CDFOLRGKRBLIAO-MISXGVKJSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000449417005 383277066 /nfs/dbraw/zinc/27/70/66/383277066.db2.gz WHPKQUXRTVURDH-BXUZGUMPSA-N 1 0 278.352 2.683 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449335803 383225358 /nfs/dbraw/zinc/22/53/58/383225358.db2.gz LXCMXIRWGPYIJV-QJPTWQEYSA-N 1 0 266.341 2.539 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000248344131 383226202 /nfs/dbraw/zinc/22/62/02/383226202.db2.gz LENCPTMMABEBQJ-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348689 383232100 /nfs/dbraw/zinc/23/21/00/383232100.db2.gz NGPGGERXTYKHQE-NSHDSACASA-N 1 0 294.351 2.835 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)CCO ZINC000449356019 383235839 /nfs/dbraw/zinc/23/58/39/383235839.db2.gz FHRZYMOULOVFFB-QWHCGFSZSA-N 1 0 280.368 2.524 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[C@H]1O ZINC000248411261 383237884 /nfs/dbraw/zinc/23/78/84/383237884.db2.gz DPRFWMGTJRCRGW-SMDDNHRTSA-N 1 0 298.770 2.841 20 5 CFBDRO CC(C)c1ccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248414965 383238687 /nfs/dbraw/zinc/23/86/87/383238687.db2.gz NKSYDPBXIYPTRB-GXTWGEPZSA-N 1 0 292.379 2.921 20 5 CFBDRO CCOc1cc(C[N@H+](C)CC(C)(C)OC)ccc1[N+](=O)[O-] ZINC000567101263 383241312 /nfs/dbraw/zinc/24/13/12/383241312.db2.gz IPDJPQNGAMVDDO-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000449370483 383242325 /nfs/dbraw/zinc/24/23/25/383242325.db2.gz KJLRORAWHVMJBB-UHFFFAOYSA-N 1 0 252.289 2.883 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449492315 383330744 /nfs/dbraw/zinc/33/07/44/383330744.db2.gz IZRGYUVKTFXKER-DOMZBBRYSA-N 1 0 278.352 2.842 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464695806 383313345 /nfs/dbraw/zinc/31/33/45/383313345.db2.gz WJSGQWGGHARNPM-VHSXEESVSA-N 1 0 282.315 2.973 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CF)CCOCC2)cs1 ZINC000449486212 383324426 /nfs/dbraw/zinc/32/44/26/383324426.db2.gz RCMIBIUPCCJIGD-UHFFFAOYSA-N 1 0 288.344 2.512 20 5 CFBDRO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000340277027 383400235 /nfs/dbraw/zinc/40/02/35/383400235.db2.gz FZCLPVCUFCHGMU-UHFFFAOYSA-N 1 0 298.342 2.900 20 5 CFBDRO CCN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568411492 383401209 /nfs/dbraw/zinc/40/12/09/383401209.db2.gz SMRMHCZSRJCXEB-HNNXBMFYSA-N 1 0 289.379 2.656 20 5 CFBDRO CCN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568411493 383401871 /nfs/dbraw/zinc/40/18/71/383401871.db2.gz SMRMHCZSRJCXEB-OAHLLOKOSA-N 1 0 289.379 2.656 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249528894 383350099 /nfs/dbraw/zinc/35/00/99/383350099.db2.gz AKVVSZADBMINIP-IACUBPJLSA-N 1 0 296.754 2.905 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cccc(C)c1[N+](=O)[O-] ZINC000425259700 383352103 /nfs/dbraw/zinc/35/21/03/383352103.db2.gz VOYJKYKTZSMVKA-UHFFFAOYSA-N 1 0 265.357 2.681 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000467782579 383356103 /nfs/dbraw/zinc/35/61/03/383356103.db2.gz CGVBBACGDOISCG-JTQLQIEISA-N 1 0 299.346 2.885 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C(C)C ZINC000468629432 383362231 /nfs/dbraw/zinc/36/22/31/383362231.db2.gz MMQMGJCHJXQJAI-RQPMMQJISA-N 1 0 292.379 2.995 20 5 CFBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000425334751 383372283 /nfs/dbraw/zinc/37/22/83/383372283.db2.gz HEVYVLBTUIGUHO-AAEUAGOBSA-N 1 0 266.366 2.887 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000524619875 383376682 /nfs/dbraw/zinc/37/66/82/383376682.db2.gz MIKORHVDUVQGMA-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252672915 383425603 /nfs/dbraw/zinc/42/56/03/383425603.db2.gz DYTWDWGQAFJCSD-KGLIPLIRSA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672946 383426465 /nfs/dbraw/zinc/42/64/65/383426465.db2.gz FLWWBQAAIPFXNP-NEPJUHHUSA-N 1 0 279.315 2.773 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000568768271 383436220 /nfs/dbraw/zinc/43/62/20/383436220.db2.gz MCWVXEHWWLNTDO-FSBGKCOPSA-N 1 0 290.363 2.985 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[N@H+]1CC=CCC1 ZINC000450493743 383436747 /nfs/dbraw/zinc/43/67/47/383436747.db2.gz GEFWKRKKTNAPKH-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000450548182 383456684 /nfs/dbraw/zinc/45/66/84/383456684.db2.gz QOXZFIRATBMMST-ZDUSSCGKSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000428481979 383482747 /nfs/dbraw/zinc/48/27/47/383482747.db2.gz GINSPOFIUWOAEX-UKRRQHHQSA-N 1 0 278.352 2.639 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000255593887 383484431 /nfs/dbraw/zinc/48/44/31/383484431.db2.gz YMGGRGDQGRHIOK-SMGNDMQFSA-N 1 0 290.363 2.966 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255627250 383485571 /nfs/dbraw/zinc/48/55/71/383485571.db2.gz YJTJVZQQDGQYGX-KKTNHOPESA-N 1 0 289.379 2.634 20 5 CFBDRO CC(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000488170153 383502872 /nfs/dbraw/zinc/50/28/72/383502872.db2.gz UTVUUGVVCRKZPH-HNNXBMFYSA-N 1 0 295.358 2.506 20 5 CFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429582638 383550375 /nfs/dbraw/zinc/55/03/75/383550375.db2.gz DQEGFPLNNLPQKU-KBPBESRZSA-N 1 0 291.351 2.831 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451325953 383591891 /nfs/dbraw/zinc/59/18/91/383591891.db2.gz PIHXVQIFAVEHAL-LBPRGKRZSA-N 1 0 296.392 2.931 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000450948880 383562990 /nfs/dbraw/zinc/56/29/90/383562990.db2.gz HXVPZTFKBQKJDP-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(C)c1 ZINC000341118102 383571398 /nfs/dbraw/zinc/57/13/98/383571398.db2.gz GFDBTCTXGQLXAQ-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO CO[C@@H](C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546739 383641085 /nfs/dbraw/zinc/64/10/85/383641085.db2.gz JOSWFVZGXIPODB-GXTWGEPZSA-N 1 0 278.352 2.809 20 5 CFBDRO CC(C)(O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547138 383641722 /nfs/dbraw/zinc/64/17/22/383641722.db2.gz KGOQZDXXYQSWQF-CQSZACIVSA-N 1 0 292.379 2.935 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)cc1 ZINC000451550492 383643784 /nfs/dbraw/zinc/64/37/84/383643784.db2.gz RYBWBTXELCTDBX-ZFWWWQNUSA-N 1 0 290.363 2.811 20 5 CFBDRO CCOCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551711 383643976 /nfs/dbraw/zinc/64/39/76/383643976.db2.gz URWDNCUBPAZXJE-CQSZACIVSA-N 1 0 278.352 2.811 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451498189 383628679 /nfs/dbraw/zinc/62/86/79/383628679.db2.gz MXGNLQOJDJDGOF-STQMWFEESA-N 1 0 282.315 2.637 20 5 CFBDRO Cc1c(CN2CCC(=O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000572131790 383757750 /nfs/dbraw/zinc/75/77/50/383757750.db2.gz NXTJNQHRVLKVHC-UHFFFAOYSA-N 1 0 288.347 2.991 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059014 383824741 /nfs/dbraw/zinc/82/47/41/383824741.db2.gz RZOGMXVYODOCRG-HUUCEWRRSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C(C)(C)C ZINC000453197435 383797938 /nfs/dbraw/zinc/79/79/38/383797938.db2.gz TWQOSAZSCOJAPD-IUODEOHRSA-N 1 0 294.395 2.913 20 5 CFBDRO Cc1ccnc(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000265176770 383853779 /nfs/dbraw/zinc/85/37/79/383853779.db2.gz IEGIRQKKURVHIV-NSHDSACASA-N 1 0 290.323 2.606 20 5 CFBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000531381596 383858944 /nfs/dbraw/zinc/85/89/44/383858944.db2.gz QQKKNRZMWQFNRY-MCIONIFRSA-N 1 0 292.383 2.692 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000573353874 383916555 /nfs/dbraw/zinc/91/65/55/383916555.db2.gz GFCCPFPJMBUFOF-GFCCVEGCSA-N 1 0 290.367 2.503 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000573171119 383882501 /nfs/dbraw/zinc/88/25/01/383882501.db2.gz KDCZGHPDWZHFJC-CORIIIEPSA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000573227325 383896066 /nfs/dbraw/zinc/89/60/66/383896066.db2.gz HIOMEWJDUNDUKQ-OAHLLOKOSA-N 1 0 293.342 2.622 20 5 CFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000438354543 383990692 /nfs/dbraw/zinc/99/06/92/383990692.db2.gz GJVAFKOTOAOXIE-UTUOFQBUSA-N 1 0 264.325 2.593 20 5 CFBDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532426 384044192 /nfs/dbraw/zinc/04/41/92/384044192.db2.gz HIXLMQHYYJILIT-STQMWFEESA-N 1 0 277.368 2.587 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000532451021 384030903 /nfs/dbraw/zinc/03/09/03/384030903.db2.gz XSTPDTGNWMDMNR-QWHCGFSZSA-N 1 0 288.351 2.839 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266042918 384062001 /nfs/dbraw/zinc/06/20/01/384062001.db2.gz WIABJNVFNXYJHL-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCSC1 ZINC000266144582 384092250 /nfs/dbraw/zinc/09/22/50/384092250.db2.gz IEOZEWLZVNEDOZ-PYEVWLCESA-N 1 0 264.350 2.703 20 5 CFBDRO C[C@@H]1C[C@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266286689 384136121 /nfs/dbraw/zinc/13/61/21/384136121.db2.gz VTSSKDUDJUSISX-VXGBXAGGSA-N 1 0 263.341 2.514 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266289130 384137511 /nfs/dbraw/zinc/13/75/11/384137511.db2.gz WDFWJOUYWPZEBQ-MNOVXSKESA-N 1 0 281.331 2.653 20 5 CFBDRO C[C@@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000574872784 384156555 /nfs/dbraw/zinc/15/65/55/384156555.db2.gz ATYHZJSFOQDIHE-HOTGVXAUSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000266511713 384189106 /nfs/dbraw/zinc/18/91/06/384189106.db2.gz FCKBTTSJLZTTKR-CYBMUJFWSA-N 1 0 289.379 2.683 20 5 CFBDRO COCCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266757725 384233354 /nfs/dbraw/zinc/23/33/54/384233354.db2.gz SEPGCIFJOUTDMJ-LLVKDONJSA-N 1 0 252.314 2.624 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000267064032 384290850 /nfs/dbraw/zinc/29/08/50/384290850.db2.gz HJRUFUDLGDEXKT-LLVKDONJSA-N 1 0 259.309 2.784 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267084434 384295250 /nfs/dbraw/zinc/29/52/50/384295250.db2.gz YZGODNVSPSIWNE-CQSZACIVSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000267098209 384299394 /nfs/dbraw/zinc/29/93/94/384299394.db2.gz SQQFFXAGFDACEO-GFCCVEGCSA-N 1 0 292.364 2.690 20 5 CFBDRO CCOc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000277524439 384326731 /nfs/dbraw/zinc/32/67/31/384326731.db2.gz QZSQZQLGHOUWGG-AAEUAGOBSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)n1 ZINC000277953382 384447337 /nfs/dbraw/zinc/44/73/37/384447337.db2.gz SVASLJDVIZJYHR-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000362452072 285110585 /nfs/dbraw/zinc/11/05/85/285110585.db2.gz MXTYFZWOKSQEOZ-GOEBONIOSA-N 1 0 290.363 2.638 20 5 CFBDRO C[C@@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000267677468 384441304 /nfs/dbraw/zinc/44/13/04/384441304.db2.gz PWIGBPPPLNEDFT-NXEZZACHSA-N 1 0 275.308 2.824 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278030214 384462130 /nfs/dbraw/zinc/46/21/30/384462130.db2.gz WXRXYTHAKGUSMN-RNCFNFMXSA-N 1 0 284.743 2.763 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC(=O)CC1 ZINC000289396223 197327566 /nfs/dbraw/zinc/32/75/66/197327566.db2.gz ROIGMEWEDOQTPI-UHFFFAOYSA-N 1 0 276.336 2.786 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000353075427 220303750 /nfs/dbraw/zinc/30/37/50/220303750.db2.gz XTWNAKZQQCTRGX-NSHDSACASA-N 1 0 285.413 2.866 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264630500 285128412 /nfs/dbraw/zinc/12/84/12/285128412.db2.gz TZVDXZJOHXZICV-OAHLLOKOSA-N 1 0 275.352 2.659 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268859121 384677079 /nfs/dbraw/zinc/67/70/79/384677079.db2.gz RDYTWWVYPBGCGH-CHWSQXEVSA-N 1 0 280.368 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279776749 384757830 /nfs/dbraw/zinc/75/78/30/384757830.db2.gz NKRYUNBABXBJIN-RISCZKNCSA-N 1 0 278.352 2.667 20 5 CFBDRO Cc1occc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687350 384838040 /nfs/dbraw/zinc/83/80/40/384838040.db2.gz TVEMJXUUBMELSD-HNNXBMFYSA-N 1 0 290.319 2.662 20 5 CFBDRO CC[C@@H](C)C[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683305 384834149 /nfs/dbraw/zinc/83/41/49/384834149.db2.gz YYPDKYJRFPBQTE-IUODEOHRSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279902328 384805905 /nfs/dbraw/zinc/80/59/05/384805905.db2.gz DMSXMWPVJZUIPW-IUODEOHRSA-N 1 0 278.352 2.893 20 5 CFBDRO CC(C)n1nccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000280755611 385141440 /nfs/dbraw/zinc/14/14/40/385141440.db2.gz DBWDDIWXPPTEJO-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[N@H+](CCOC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270678931 385188477 /nfs/dbraw/zinc/18/84/77/385188477.db2.gz CDTMFVZFCICVDA-NSHDSACASA-N 1 0 252.314 2.624 20 5 CFBDRO CN(CCC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000270587714 385156759 /nfs/dbraw/zinc/15/67/59/385156759.db2.gz JNRAWADGKSOQHZ-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO CCC(=O)c1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000280814939 385166697 /nfs/dbraw/zinc/16/66/97/385166697.db2.gz XKBCBGIWWQKDGC-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO COc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000282142857 385224659 /nfs/dbraw/zinc/22/46/59/385224659.db2.gz SAIZPKQAPWRNNT-AAEUAGOBSA-N 1 0 294.351 2.760 20 5 CFBDRO COCc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000271053661 385321616 /nfs/dbraw/zinc/32/16/16/385321616.db2.gz BPSVKESTGKPOKY-UHFFFAOYSA-N 1 0 290.319 2.966 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000289070521 197226988 /nfs/dbraw/zinc/22/69/88/197226988.db2.gz NKTUXUYTEDHFAM-NSHDSACASA-N 1 0 280.372 2.709 20 5 CFBDRO CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000282359305 385292923 /nfs/dbraw/zinc/29/29/23/385292923.db2.gz NCWRSKDKABAHEJ-DOMZBBRYSA-N 1 0 278.352 2.637 20 5 CFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCC[N@@H+]1C ZINC000282372992 385295431 /nfs/dbraw/zinc/29/54/31/385295431.db2.gz FJMBWEPMZNTOLJ-HNNXBMFYSA-N 1 0 291.395 2.553 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000271119762 385341302 /nfs/dbraw/zinc/34/13/02/385341302.db2.gz JDXNZTIMIVDYCJ-NSHDSACASA-N 1 0 298.408 2.826 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CSC1(C)C ZINC000282602544 385350450 /nfs/dbraw/zinc/35/04/50/385350450.db2.gz DBBQXCPNVUXFKM-LBPRGKRZSA-N 1 0 266.366 2.887 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(O)c1 ZINC000283152616 385440951 /nfs/dbraw/zinc/44/09/51/385440951.db2.gz XQCBSBJKIOYLKV-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO COCC[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272116666 385451151 /nfs/dbraw/zinc/45/11/51/385451151.db2.gz QMRYBEMMPFUNQC-JTQLQIEISA-N 1 0 286.759 2.805 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000285049894 385551434 /nfs/dbraw/zinc/55/14/34/385551434.db2.gz IVCMMSCHQTWBEJ-NHCYSSNCSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286190205 385569466 /nfs/dbraw/zinc/56/94/66/385569466.db2.gz BAJLDMNBRGJDFS-YPMHNXCESA-N 1 0 293.342 2.797 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1CCCC1)CC2 ZINC000408149238 285184147 /nfs/dbraw/zinc/18/41/47/285184147.db2.gz PUXIPVLBHMOKHL-UHFFFAOYSA-N 1 0 261.325 2.538 20 5 CFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000272623675 385578699 /nfs/dbraw/zinc/57/86/99/385578699.db2.gz YVDTVOSWCVQGBU-RYUDHWBXSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000286975672 385753877 /nfs/dbraw/zinc/75/38/77/385753877.db2.gz POOGDRDMPLSFNI-DGCLKSJQSA-N 1 0 295.408 2.715 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000287247401 385811639 /nfs/dbraw/zinc/81/16/39/385811639.db2.gz JZOJZDQXDHBKIM-GFCCVEGCSA-N 1 0 293.342 2.656 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccccc1[N+](=O)[O-] ZINC000275109616 385934985 /nfs/dbraw/zinc/93/49/85/385934985.db2.gz HAODMHJKUNYVTM-SCRDCRAPSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1 ZINC000288331994 197052914 /nfs/dbraw/zinc/05/29/14/197052914.db2.gz APTVGPMYGOEKGX-LBPRGKRZSA-N 1 0 266.366 2.828 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000181597542 285240589 /nfs/dbraw/zinc/24/05/89/285240589.db2.gz TZGKTYQHOISFNT-XHDPSFHLSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000093515634 184686773 /nfs/dbraw/zinc/68/67/73/184686773.db2.gz GEINKOBAVNYTNW-UKRRQHHQSA-N 1 0 291.395 2.995 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000287116181 196784544 /nfs/dbraw/zinc/78/45/44/196784544.db2.gz XAKNHCVMCXZAOI-CZUORRHYSA-N 1 0 289.379 2.653 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426459375 533219487 /nfs/dbraw/zinc/21/94/87/533219487.db2.gz KKNHXJFPPDBXOI-RISCZKNCSA-N 1 0 276.336 2.978 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094948929 184901416 /nfs/dbraw/zinc/90/14/16/184901416.db2.gz ILONJVGXHMPMCE-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283856649 195932087 /nfs/dbraw/zinc/93/20/87/195932087.db2.gz BJAXXZSSAZPGLA-VIFPVBQESA-N 1 0 283.397 2.969 20 5 CFBDRO CC(C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283877617 195936140 /nfs/dbraw/zinc/93/61/40/195936140.db2.gz CBRPOTYADRKFMY-JTQLQIEISA-N 1 0 251.330 2.874 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCCCC1 ZINC000341933582 130144119 /nfs/dbraw/zinc/14/41/19/130144119.db2.gz PLYWWBNVFQFGLT-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(F)c1 ZINC000342011537 130198480 /nfs/dbraw/zinc/19/84/80/130198480.db2.gz GJCQUADFRVQBQY-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191639180 130268257 /nfs/dbraw/zinc/26/82/57/130268257.db2.gz PDBXFXBTFQKKLO-SRVKXCTJSA-N 1 0 266.341 2.977 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191643580 130269362 /nfs/dbraw/zinc/26/93/62/130269362.db2.gz FMXGAEYLJRAIAQ-SDDRHHMPSA-N 1 0 266.341 2.977 20 5 CFBDRO CC[C@H]1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000355675337 130331213 /nfs/dbraw/zinc/33/12/13/130331213.db2.gz RLDXMSNBSNPOQE-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(F)CCC2)cc1 ZINC000342240518 130365505 /nfs/dbraw/zinc/36/55/05/130365505.db2.gz VCQOUZZQNUOSAK-UHFFFAOYSA-N 1 0 252.289 2.967 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000342235880 130408443 /nfs/dbraw/zinc/40/84/43/130408443.db2.gz CBBMCAWVXVNXNM-UONOGXRCSA-N 1 0 292.379 2.792 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000222535629 130790378 /nfs/dbraw/zinc/79/03/78/130790378.db2.gz DZNZYAGXSFWCKH-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648031 130849227 /nfs/dbraw/zinc/84/92/27/130849227.db2.gz QQCJDLGIBDIHKT-SECBINFHSA-N 1 0 284.747 2.539 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000252212465 131133451 /nfs/dbraw/zinc/13/34/51/131133451.db2.gz YLGRIGNTTOJTNJ-WZRBSPASSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000263741214 131320102 /nfs/dbraw/zinc/32/01/02/131320102.db2.gz NJHOEWOYXLNMJQ-UHFFFAOYSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(C)C)CC1 ZINC000263938738 131365179 /nfs/dbraw/zinc/36/51/79/131365179.db2.gz AGPWEKICJQYGGK-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](C2CC2)CC1 ZINC000266907924 131796753 /nfs/dbraw/zinc/79/67/53/131796753.db2.gz KJDQDYMRHSSVRA-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(O)CC1 ZINC000268480333 132015113 /nfs/dbraw/zinc/01/51/13/132015113.db2.gz RZKKQOBPHFXUFO-LLVKDONJSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[C@](C)(CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000268524588 132021946 /nfs/dbraw/zinc/02/19/46/132021946.db2.gz GPGSWZPWSOTNNS-PMGBHYCQSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000268826727 132073061 /nfs/dbraw/zinc/07/30/61/132073061.db2.gz JITKNCKTWIGBPE-VXGBXAGGSA-N 1 0 264.325 2.590 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cs1 ZINC000268998230 132097994 /nfs/dbraw/zinc/09/79/94/132097994.db2.gz YOQBKBGHAGWNHU-LLVKDONJSA-N 1 0 282.365 2.848 20 5 CFBDRO CC(C)SCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310824448 393518927 /nfs/dbraw/zinc/51/89/27/393518927.db2.gz ITSJNNFXUWEVGE-UHFFFAOYSA-N 1 0 272.345 2.965 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C)[C@@H]1C ZINC000183348860 393519552 /nfs/dbraw/zinc/51/95/52/393519552.db2.gz IJBQJDQSCOVNJA-NWDGAFQWSA-N 1 0 264.325 2.512 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2cccnc2)cc1[N+](=O)[O-] ZINC000037502678 393532014 /nfs/dbraw/zinc/53/20/14/393532014.db2.gz AGDJTHYMDNWGPI-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331042080 393554642 /nfs/dbraw/zinc/55/46/42/393554642.db2.gz CZHXCSMEZHFFII-NWDGAFQWSA-N 1 0 280.372 2.633 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000384767148 393580325 /nfs/dbraw/zinc/58/03/25/393580325.db2.gz BHJPSPWIKJQBEH-SECBINFHSA-N 1 0 286.759 2.887 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193333736 393649545 /nfs/dbraw/zinc/64/95/45/393649545.db2.gz WZZHGXDOUZOYKS-YGRLFVJLSA-N 1 0 264.325 2.597 20 5 CFBDRO CC(C)(C)CC[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195510365 393742346 /nfs/dbraw/zinc/74/23/46/393742346.db2.gz GLSQMKABVIEJAC-UHFFFAOYSA-N 1 0 298.412 2.610 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])s1 ZINC000195513162 393742736 /nfs/dbraw/zinc/74/27/36/393742736.db2.gz POWLKFUPMXSTNE-UHFFFAOYSA-N 1 0 286.401 2.975 20 5 CFBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336814160 393749633 /nfs/dbraw/zinc/74/96/33/393749633.db2.gz WLDVQEIVDINTTL-JTQLQIEISA-N 1 0 286.759 2.841 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000087017722 393756332 /nfs/dbraw/zinc/75/63/32/393756332.db2.gz YENKOHFXTDYJBQ-LBPRGKRZSA-N 1 0 278.352 2.941 20 5 CFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000411896413 393757713 /nfs/dbraw/zinc/75/77/13/393757713.db2.gz ZFCVYGNEICYBNM-SJORKVTESA-N 1 0 298.342 2.997 20 5 CFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411951131 393758157 /nfs/dbraw/zinc/75/81/57/393758157.db2.gz PRTAKZNKSYALKC-IAQYHMDHSA-N 1 0 278.352 2.888 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000337416208 393765862 /nfs/dbraw/zinc/76/58/62/393765862.db2.gz NRXSATNMSUMBCO-MFKMUULPSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000231074923 393779964 /nfs/dbraw/zinc/77/99/64/393779964.db2.gz LTGBQYUFSSTVSW-AWEZNQCLSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959969 393785566 /nfs/dbraw/zinc/78/55/66/393785566.db2.gz JYKQSUUPYDPFJV-RWMBFGLXSA-N 1 0 277.368 2.728 20 5 CFBDRO Cc1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000338796390 393800823 /nfs/dbraw/zinc/80/08/23/393800823.db2.gz SCVJZHZURURIGV-GHMZBOCLSA-N 1 0 281.331 2.571 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188749 393939923 /nfs/dbraw/zinc/93/99/23/393939923.db2.gz KCKPRPLUDBIBDB-YRGRVCCFSA-N 1 0 277.368 2.573 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCCOC ZINC000418133288 394016777 /nfs/dbraw/zinc/01/67/77/394016777.db2.gz KHIHZWZECOLVEL-UHFFFAOYSA-N 1 0 296.367 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352662197 394017230 /nfs/dbraw/zinc/01/72/30/394017230.db2.gz XJSCNFQLEVVXKC-CQDKDKBSSA-N 1 0 278.352 2.809 20 5 CFBDRO COCCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000418140530 394019713 /nfs/dbraw/zinc/01/97/13/394019713.db2.gz VQWNNTHYSXIVSK-UHFFFAOYSA-N 1 0 258.343 2.515 20 5 CFBDRO Cc1cnccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000121672751 393958739 /nfs/dbraw/zinc/95/87/39/393958739.db2.gz LJKYCCJORIGSOL-UHFFFAOYSA-N 1 0 286.291 2.620 20 5 CFBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430215235 393968863 /nfs/dbraw/zinc/96/88/63/393968863.db2.gz CFMREVKWTUJMCO-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO CC(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265514179 393973858 /nfs/dbraw/zinc/97/38/58/393973858.db2.gz LAFFHUWAWFAZDB-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000349972907 393974845 /nfs/dbraw/zinc/97/48/45/393974845.db2.gz UQRXIEPAHWTLLD-GDBMZVCRSA-N 1 0 290.363 2.904 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430283761 393979685 /nfs/dbraw/zinc/97/96/85/393979685.db2.gz KNLAZPGHRJBHSX-GFCCVEGCSA-N 1 0 276.336 2.872 20 5 CFBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275833090 394047664 /nfs/dbraw/zinc/04/76/64/394047664.db2.gz MIBGABZQDBNOPJ-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277173823 394054495 /nfs/dbraw/zinc/05/44/95/394054495.db2.gz MZSIJHRAOGQNLE-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO CN(C)C(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278228940 394060075 /nfs/dbraw/zinc/06/00/75/394060075.db2.gz JYCSYSCNCZITTK-HNNXBMFYSA-N 1 0 291.395 2.902 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000355693412 394069523 /nfs/dbraw/zinc/06/95/23/394069523.db2.gz XAKXACWRYOOXJM-AWEZNQCLSA-N 1 0 264.325 2.594 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000420188494 394090800 /nfs/dbraw/zinc/09/08/00/394090800.db2.gz FGSTWFFRCQRXDW-QMMMGPOBSA-N 1 0 271.748 2.824 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000439259348 394106986 /nfs/dbraw/zinc/10/69/86/394106986.db2.gz JNCWDLKODUDPPJ-JOCQHMNTSA-N 1 0 298.770 2.984 20 5 CFBDRO COc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1F ZINC000420269099 394110954 /nfs/dbraw/zinc/11/09/54/394110954.db2.gz AZZLLMOXCSCFIW-ZJUUUORDSA-N 1 0 297.330 2.672 20 5 CFBDRO COc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420270626 394111122 /nfs/dbraw/zinc/11/11/22/394111122.db2.gz CEIFZBYTJMEXSJ-VHSXEESVSA-N 1 0 297.330 2.672 20 5 CFBDRO Cc1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420275888 394114031 /nfs/dbraw/zinc/11/40/31/394114031.db2.gz HGBDJLLLSFFGJI-VXGBXAGGSA-N 1 0 263.341 2.833 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOCC2CC2)C2CC2)cc1 ZINC000130591755 394114258 /nfs/dbraw/zinc/11/42/58/394114258.db2.gz QWCLBGZISGTTNY-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO C[NH2+]CCCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420385322 394119225 /nfs/dbraw/zinc/11/92/25/394119225.db2.gz HKBFFOBZVYVVDL-LBPRGKRZSA-N 1 0 265.357 2.506 20 5 CFBDRO CC1(C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444612431 394145301 /nfs/dbraw/zinc/14/53/01/394145301.db2.gz RYNFWPJJPQFKDW-UHFFFAOYSA-N 1 0 274.324 2.846 20 5 CFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000420995135 394149826 /nfs/dbraw/zinc/14/98/26/394149826.db2.gz DDXHKVGOAPVJQX-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000290637095 394232697 /nfs/dbraw/zinc/23/26/97/394232697.db2.gz HRAQZAVOCMEKFB-SECBINFHSA-N 1 0 286.763 2.784 20 5 CFBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290777104 394233123 /nfs/dbraw/zinc/23/31/23/394233123.db2.gz MKNIZGHAHRRKQO-LSDHHAIUSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000291785658 394259813 /nfs/dbraw/zinc/25/98/13/394259813.db2.gz VMXSHQAWSIJZOI-NSHDSACASA-N 1 0 290.319 2.715 20 5 CFBDRO Cc1c(CN[C@@H]2CCCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077710 394265634 /nfs/dbraw/zinc/26/56/34/394265634.db2.gz MWCUAMSLRLVXBD-UONOGXRCSA-N 1 0 277.368 2.653 20 5 CFBDRO CC1(C)C[C@H](NC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423243429 394274166 /nfs/dbraw/zinc/27/41/66/394274166.db2.gz WLIRZIQGDQKRRB-ABAIWWIYSA-N 1 0 289.379 2.659 20 5 CFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449419094 394276274 /nfs/dbraw/zinc/27/62/74/394276274.db2.gz GVIUQDZZKQULHS-RUCLMCIISA-N 1 0 290.363 2.701 20 5 CFBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635643 394282988 /nfs/dbraw/zinc/28/29/88/394282988.db2.gz UZYZIUQVBWUVMU-GJZGRUSLSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153587129 394286677 /nfs/dbraw/zinc/28/66/77/394286677.db2.gz ICOVQOLZVOISJN-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO CC[C@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423522005 394289218 /nfs/dbraw/zinc/28/92/18/394289218.db2.gz GYKJVTHAZRDTGE-HNNXBMFYSA-N 1 0 277.368 2.778 20 5 CFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000294132245 394289648 /nfs/dbraw/zinc/28/96/48/394289648.db2.gz FPZYPOQGTMPLRG-BXUZGUMPSA-N 1 0 266.341 2.746 20 5 CFBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000156717049 394337950 /nfs/dbraw/zinc/33/79/50/394337950.db2.gz PEJSHZAPYJCRSC-GFCCVEGCSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159194482 394364465 /nfs/dbraw/zinc/36/44/65/394364465.db2.gz JGWASPWJAHRFJS-GWCFXTLKSA-N 1 0 298.770 2.984 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)COC1 ZINC000453380802 394392873 /nfs/dbraw/zinc/39/28/73/394392873.db2.gz RIMVDCRVRYMPRW-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCc2cncn2C)cccc1[N+](=O)[O-] ZINC000530407311 394513447 /nfs/dbraw/zinc/51/34/47/394513447.db2.gz OTBPIUQRPRWEJA-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO COCC1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000540745607 394652143 /nfs/dbraw/zinc/65/21/43/394652143.db2.gz BXOIOJZUINLXPU-NSHDSACASA-N 1 0 264.325 2.733 20 5 CFBDRO COc1cc(CN2C3CCC2CC3)c([N+](=O)[O-])cc1F ZINC000546620074 394833460 /nfs/dbraw/zinc/83/34/60/394833460.db2.gz DAMBWWGGZNLTFJ-UHFFFAOYSA-N 1 0 280.299 2.869 20 5 CFBDRO CC1(C)CC[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000547833707 394895159 /nfs/dbraw/zinc/89/51/59/394895159.db2.gz WFGZHFHURJMXMX-ZDUSSCGKSA-N 1 0 290.363 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000558167022 395054257 /nfs/dbraw/zinc/05/42/57/395054257.db2.gz WMHQOCDUOMISBG-NWDGAFQWSA-N 1 0 264.325 2.733 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCO2)CC1 ZINC000558626868 395067208 /nfs/dbraw/zinc/06/72/08/395067208.db2.gz HLMUPQBBSXOKIE-LBPRGKRZSA-N 1 0 276.336 2.911 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000608886377 395113724 /nfs/dbraw/zinc/11/37/24/395113724.db2.gz CZPUFZNUXBDOCX-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000343631123 292289665 /nfs/dbraw/zinc/28/96/65/292289665.db2.gz NBCZAHVFLNOIEN-UONOGXRCSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000343784399 292288107 /nfs/dbraw/zinc/28/81/07/292288107.db2.gz DOFYHTBKPJBHPP-UONOGXRCSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000297711109 292294927 /nfs/dbraw/zinc/29/49/27/292294927.db2.gz BJFHXHKFAIIMHO-CYBMUJFWSA-N 1 0 277.368 2.602 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339618594 292296340 /nfs/dbraw/zinc/29/63/40/292296340.db2.gz HBAOWAMQMWTZIL-MCIONIFRSA-N 1 0 291.395 2.989 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348128918 154332023 /nfs/dbraw/zinc/33/20/23/154332023.db2.gz WLHZHFBQXHHROH-KGLIPLIRSA-N 1 0 260.337 2.916 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N(C)CCC[NH+]1CCCC1 ZINC000358657653 155834421 /nfs/dbraw/zinc/83/44/21/155834421.db2.gz CPYBBHGGVYTCBM-UHFFFAOYSA-N 1 0 277.368 2.825 20 5 CFBDRO CC1CCC2(CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000363139228 156152991 /nfs/dbraw/zinc/15/29/91/156152991.db2.gz MGRIRRQEHIRAPK-UHFFFAOYSA-N 1 0 292.383 2.731 20 5 CFBDRO Cc1c(C[N@@H+]2CCOCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000363890105 156202647 /nfs/dbraw/zinc/20/26/47/156202647.db2.gz VKLXPHHGYAUMLD-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367065974 156275395 /nfs/dbraw/zinc/27/53/95/156275395.db2.gz HQEROKHYJGYWKN-INIZCTEOSA-N 1 0 290.363 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374400082 157108364 /nfs/dbraw/zinc/10/83/64/157108364.db2.gz OPKHIXLLMFLMIG-RYUDHWBXSA-N 1 0 294.326 2.592 20 5 CFBDRO C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000374641240 157142650 /nfs/dbraw/zinc/14/26/50/157142650.db2.gz FTHIYISJLHZYQJ-OLZOCXBDSA-N 1 0 282.365 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1F ZINC000374906477 157171257 /nfs/dbraw/zinc/17/12/57/157171257.db2.gz AMDRULNSVFXMLD-IUODEOHRSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC12CCOCC2 ZINC000376463354 157358523 /nfs/dbraw/zinc/35/85/23/157358523.db2.gz LUVBACPRXQPRKZ-HWKANZROSA-N 1 0 288.347 2.863 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000344090314 161937856 /nfs/dbraw/zinc/93/78/56/161937856.db2.gz MBTKSSOQIIGFFJ-ZIAGYGMSSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CCO)CCCCC2)c1 ZINC000344600179 162075806 /nfs/dbraw/zinc/07/58/06/162075806.db2.gz IDHNOOPTFMUVLS-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO COC1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000344604462 162078976 /nfs/dbraw/zinc/07/89/76/162078976.db2.gz QABGEWYFSYWSSJ-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@H](C)CO ZINC000344792722 162124357 /nfs/dbraw/zinc/12/43/57/162124357.db2.gz NHKYMRKOELIASX-CUOXCHRPSA-N 1 0 278.352 2.605 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)N(C)C ZINC000344878208 162140229 /nfs/dbraw/zinc/14/02/29/162140229.db2.gz PSIXBNFJTKKRQJ-UKTHLTGXSA-N 1 0 291.395 2.928 20 5 CFBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344954113 162153322 /nfs/dbraw/zinc/15/33/22/162153322.db2.gz JEPPRQLTBNYWAO-VXGBXAGGSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346175787 162340684 /nfs/dbraw/zinc/34/06/84/162340684.db2.gz HYFSEGKQAFDKGM-CHWSQXEVSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000346209976 162350753 /nfs/dbraw/zinc/35/07/53/162350753.db2.gz ONKOEVYCVLIFKG-MNOVXSKESA-N 1 0 283.397 2.571 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC(C)C)CC1 ZINC000349971461 163044734 /nfs/dbraw/zinc/04/47/34/163044734.db2.gz JQVJGBCRUOWTKN-UHFFFAOYSA-N 1 0 291.395 2.677 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000350099049 163058707 /nfs/dbraw/zinc/05/87/07/163058707.db2.gz MMNGFUTZIRRUIZ-ZIAGYGMSSA-N 1 0 278.352 2.806 20 5 CFBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350119347 163060208 /nfs/dbraw/zinc/06/02/08/163060208.db2.gz ZDZZQPDWIBNFRK-IUODEOHRSA-N 1 0 280.368 2.790 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350119350 163060814 /nfs/dbraw/zinc/06/08/14/163060814.db2.gz ZDZZQPDWIBNFRK-WFASDCNBSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350311265 163071541 /nfs/dbraw/zinc/07/15/41/163071541.db2.gz GYGWVUDUACBMDL-WDEREUQCSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352800283 163239249 /nfs/dbraw/zinc/23/92/49/163239249.db2.gz HMRWLVRNQMCQTP-JVXZTZIISA-N 1 0 288.319 2.714 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352819095 163241462 /nfs/dbraw/zinc/24/14/62/163241462.db2.gz WQCMUSHPTMXNFX-PRHODGIISA-N 1 0 270.329 2.575 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353014251 163287413 /nfs/dbraw/zinc/28/74/13/163287413.db2.gz CQJTWWOUYYKYBL-DMBZQDCGSA-N 1 0 278.377 2.949 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000353217133 163316968 /nfs/dbraw/zinc/31/69/68/163316968.db2.gz YNJKSIMSBPFNJV-UHFFFAOYSA-N 1 0 288.351 2.774 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392961 287030941 /nfs/dbraw/zinc/03/09/41/287030941.db2.gz OOUBJYBNERESBF-VXGBXAGGSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@H](NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020129217 171017398 /nfs/dbraw/zinc/01/73/98/171017398.db2.gz AZPQFZACXHLFAD-ZDUSSCGKSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@H]([NH2+]Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000020140522 171026914 /nfs/dbraw/zinc/02/69/14/171026914.db2.gz SFHVVTQPOVFKAH-NSHDSACASA-N 1 0 257.293 2.841 20 5 CFBDRO CC(C)[C@H](CNCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000020200978 171065053 /nfs/dbraw/zinc/06/50/53/171065053.db2.gz LVQZKSLCHWHEMP-INIZCTEOSA-N 1 0 291.395 2.805 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284932228 196160214 /nfs/dbraw/zinc/16/02/14/196160214.db2.gz WGGACUIERALFNF-HZPDHXFCSA-N 1 0 290.363 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000284944082 196162417 /nfs/dbraw/zinc/16/24/17/196162417.db2.gz WSSWLZUPOLDUOJ-GJZGRUSLSA-N 1 0 294.326 2.877 20 5 CFBDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285134554 196204210 /nfs/dbraw/zinc/20/42/10/196204210.db2.gz LOTKKTBVCFEFHI-SNVBAGLBSA-N 1 0 281.356 2.643 20 5 CFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000035368238 172159884 /nfs/dbraw/zinc/15/98/84/172159884.db2.gz WZLWOLBETXKNLQ-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000035694730 172363526 /nfs/dbraw/zinc/36/35/26/172363526.db2.gz PGENUAHCEBDKEN-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000037247448 173060343 /nfs/dbraw/zinc/06/03/43/173060343.db2.gz XNYMJDMARIQNTR-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000038028739 174018773 /nfs/dbraw/zinc/01/87/73/174018773.db2.gz ODUZZSNGFBRPRV-CYBMUJFWSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000038079461 174089516 /nfs/dbraw/zinc/08/95/16/174089516.db2.gz QYPZNNSUIAUPRF-NSHDSACASA-N 1 0 276.292 2.917 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676004 174373791 /nfs/dbraw/zinc/37/37/91/174373791.db2.gz LAJWUINOURYSRJ-HUUCEWRRSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000043588087 175072722 /nfs/dbraw/zinc/07/27/22/175072722.db2.gz WXEQQXLWVZPYHD-LBPRGKRZSA-N 1 0 291.351 2.622 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000044572469 175209991 /nfs/dbraw/zinc/20/99/91/175209991.db2.gz NFTMEQZMXLVILF-NSHDSACASA-N 1 0 251.330 2.737 20 5 CFBDRO C[N@H+](CCNCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000071376808 176141966 /nfs/dbraw/zinc/14/19/66/176141966.db2.gz DAOSNEIUGPBZCS-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC12CC2 ZINC000418098008 228036800 /nfs/dbraw/zinc/03/68/00/228036800.db2.gz OJPDVWVKNWNLKH-LBPRGKRZSA-N 1 0 276.336 2.883 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000222589503 270254972 /nfs/dbraw/zinc/25/49/72/270254972.db2.gz DRJDXHPKPMEZPV-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOCC2CCCC2)c1 ZINC000313255933 260273115 /nfs/dbraw/zinc/27/31/15/260273115.db2.gz XTVNWDWIRMGVDT-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1=CCCOC1 ZINC000521067663 260365485 /nfs/dbraw/zinc/36/54/85/260365485.db2.gz AFJHBPOTPYACPD-CQSZACIVSA-N 1 0 274.320 2.518 20 5 CFBDRO COC(=O)CC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296674721 263195305 /nfs/dbraw/zinc/19/53/05/263195305.db2.gz HJCHMIHNHBUCEA-NSHDSACASA-N 1 0 292.335 2.589 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093232585 263309942 /nfs/dbraw/zinc/30/99/42/263309942.db2.gz IUSAZAULDHPZAW-NEPJUHHUSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000518972127 265263331 /nfs/dbraw/zinc/26/33/31/265263331.db2.gz NMWQUTMZRXEMJG-KYOSRNDESA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000396534325 270315445 /nfs/dbraw/zinc/31/54/45/270315445.db2.gz IPMUUXYDLSQUNQ-WDEREUQCSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000524619683 270464201 /nfs/dbraw/zinc/46/42/01/270464201.db2.gz DCWGEOYAMKSWQB-NEPJUHHUSA-N 1 0 264.325 2.704 20 5 CFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000827720310 782041920 /nfs/dbraw/zinc/04/19/20/782041920.db2.gz CAGPNZQLSVCNQP-TZMCWYRMSA-N 1 0 289.335 2.550 20 5 CFBDRO COC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000193041385 274050848 /nfs/dbraw/zinc/05/08/48/274050848.db2.gz MKXBLSWINZFKKD-HOTGVXAUSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H]1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309370 274394180 /nfs/dbraw/zinc/39/41/80/274394180.db2.gz OXBGGBMIIFJNCL-FFSVYQOJSA-N 1 0 289.379 2.702 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000148565232 274395071 /nfs/dbraw/zinc/39/50/71/274395071.db2.gz ADALXPRBADQAAS-SCZZXKLOSA-N 1 0 284.747 2.538 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346790035 274520131 /nfs/dbraw/zinc/52/01/31/274520131.db2.gz FUYRXIYVRPQHGS-YWPYICTPSA-N 1 0 277.368 2.728 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000364599596 275035304 /nfs/dbraw/zinc/03/53/04/275035304.db2.gz AKCOIEUABMQBRO-CYBMUJFWSA-N 1 0 291.307 2.877 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+]([C@H]3CCOC3)C2)cc1 ZINC000331534850 275037284 /nfs/dbraw/zinc/03/72/84/275037284.db2.gz XPVRBIMKIIDJMW-ZFWWWQNUSA-N 1 0 276.336 2.563 20 5 CFBDRO CC(C)C[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341390655 275577329 /nfs/dbraw/zinc/57/73/29/275577329.db2.gz VDJRZKMAOAJEPE-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C2 ZINC000163096664 275892742 /nfs/dbraw/zinc/89/27/42/275892742.db2.gz NJSRXLGYVCJYEK-YWPYICTPSA-N 1 0 292.383 2.596 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000338385665 275954103 /nfs/dbraw/zinc/95/41/03/275954103.db2.gz VXDNQYWTDDCEGC-UHFFFAOYSA-N 1 0 284.331 2.765 20 5 CFBDRO CC(C)[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000343207418 276032919 /nfs/dbraw/zinc/03/29/19/276032919.db2.gz PZIAKTVGXKJRPO-CYBMUJFWSA-N 1 0 281.331 2.510 20 5 CFBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291063071 276079052 /nfs/dbraw/zinc/07/90/52/276079052.db2.gz KHPOHAVSLCEFTA-BUUCAEBMSA-N 1 0 278.352 2.965 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CC2(O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433128511 276142863 /nfs/dbraw/zinc/14/28/63/276142863.db2.gz WXMWLFURACFHQR-CQSZACIVSA-N 1 0 290.363 2.822 20 5 CFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212658 276148695 /nfs/dbraw/zinc/14/86/95/276148695.db2.gz YHPPEKNSHQAFIL-ABAIWWIYSA-N 1 0 290.363 2.943 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000267531092 276234142 /nfs/dbraw/zinc/23/41/42/276234142.db2.gz KOSGTASIUKMGCJ-OLZOCXBDSA-N 1 0 275.352 2.658 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000414153187 276362954 /nfs/dbraw/zinc/36/29/54/276362954.db2.gz YRSDHJIANLMPKG-VHRBIJSZSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCO ZINC000271200517 276429241 /nfs/dbraw/zinc/42/92/41/276429241.db2.gz ZDXJWCBTFPDYSJ-NEPJUHHUSA-N 1 0 298.408 2.826 20 5 CFBDRO CN1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192736479 277081538 /nfs/dbraw/zinc/08/15/38/277081538.db2.gz JKGFLNCYRISSSG-GOEBONIOSA-N 1 0 289.379 2.656 20 5 CFBDRO COC[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439964 277257420 /nfs/dbraw/zinc/25/74/20/277257420.db2.gz SXWUYHVHLKSQKC-SECBINFHSA-N 1 0 272.732 2.620 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000340489018 277281019 /nfs/dbraw/zinc/28/10/19/277281019.db2.gz IGFHRNGSWYYYKL-HZMBPMFUSA-N 1 0 264.325 2.670 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000267474165 277281036 /nfs/dbraw/zinc/28/10/36/277281036.db2.gz YWALOJVIYOBLHZ-RISCZKNCSA-N 1 0 266.341 2.916 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178551311 277571202 /nfs/dbraw/zinc/57/12/02/277571202.db2.gz ZLTGCLOCMWULNM-QMTHXVAHSA-N 1 0 264.325 2.670 20 5 CFBDRO COC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129548169 277588013 /nfs/dbraw/zinc/58/80/13/277588013.db2.gz UHMQXNHKEWPFNJ-GUTXKFCHSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339611008 277902999 /nfs/dbraw/zinc/90/29/99/277902999.db2.gz APKSCRGDANVCPM-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347108079 278036410 /nfs/dbraw/zinc/03/64/10/278036410.db2.gz MJHDHQOYPXAPEB-IUODEOHRSA-N 1 0 291.395 2.887 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347108076 278036538 /nfs/dbraw/zinc/03/65/38/278036538.db2.gz MJHDHQOYPXAPEB-DOMZBBRYSA-N 1 0 291.395 2.887 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261903086 278036743 /nfs/dbraw/zinc/03/67/43/278036743.db2.gz WRPCBHDDZCEHHP-MRXNPFEDSA-N 1 0 291.395 2.889 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492193086 278079025 /nfs/dbraw/zinc/07/90/25/278079025.db2.gz MFZFQBAQWOADNH-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000278906940 278272992 /nfs/dbraw/zinc/27/29/92/278272992.db2.gz ZVXUXHLBAQLHLC-DETPVDSQSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+](C)C)C1 ZINC000266738144 278313457 /nfs/dbraw/zinc/31/34/57/278313457.db2.gz MPRHUZZNQCYWDA-CHWSQXEVSA-N 1 0 277.368 2.539 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000037155222 278363540 /nfs/dbraw/zinc/36/35/40/278363540.db2.gz MAEIKEXFZQNHMR-NWDGAFQWSA-N 1 0 274.324 2.531 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154604605 288045543 /nfs/dbraw/zinc/04/55/43/288045543.db2.gz XQPOBWLOLAWMRU-GJZGRUSLSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000363797820 279025548 /nfs/dbraw/zinc/02/55/48/279025548.db2.gz VVSLRDDKPFZIIQ-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000340474580 279472575 /nfs/dbraw/zinc/47/25/75/279472575.db2.gz SLMCINPJMUCNHJ-WFASDCNBSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000051995988 279504515 /nfs/dbraw/zinc/50/45/15/279504515.db2.gz ZEKVCHLBOXNNCB-GDLCADMTSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000045105786 280423475 /nfs/dbraw/zinc/42/34/75/280423475.db2.gz OYHDTTKCFOXYAR-CYBMUJFWSA-N 1 0 288.351 2.922 20 5 CFBDRO COCC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000066995982 280470749 /nfs/dbraw/zinc/47/07/49/280470749.db2.gz LFBHSQRGURJODA-SOFGYWHQSA-N 1 0 264.325 2.623 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086696845 280555763 /nfs/dbraw/zinc/55/57/63/280555763.db2.gz VLZWPIUZNDLLQT-BXUZGUMPSA-N 1 0 266.341 2.916 20 5 CFBDRO CS[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000128169614 280673862 /nfs/dbraw/zinc/67/38/62/280673862.db2.gz XSYCNZMPWUAENI-SNVBAGLBSA-N 1 0 254.355 2.744 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(CO)CCCC1 ZINC000185801637 280839380 /nfs/dbraw/zinc/83/93/80/280839380.db2.gz HXROPYYMYXGZRX-FNORWQNLSA-N 1 0 290.363 2.750 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000119664105 281022645 /nfs/dbraw/zinc/02/26/45/281022645.db2.gz KDWFCQVTPHVSIY-RWMBFGLXSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000268881906 281023600 /nfs/dbraw/zinc/02/36/00/281023600.db2.gz KDWFCQVTPHVSIY-AVGNSLFASA-N 1 0 278.352 2.979 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252920952 281078916 /nfs/dbraw/zinc/07/89/16/281078916.db2.gz GLFBKCASYKFCHF-TZMCWYRMSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000255623214 281103991 /nfs/dbraw/zinc/10/39/91/281103991.db2.gz UXUNQZQHFYIJJJ-QZDDGCDVSA-N 1 0 276.336 2.767 20 5 CFBDRO CCC[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255889974 281109317 /nfs/dbraw/zinc/10/93/17/281109317.db2.gz HBSLDTHCQLFNDQ-ALCCZGGFSA-N 1 0 289.379 2.636 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000265840433 281114237 /nfs/dbraw/zinc/11/42/37/281114237.db2.gz GGLYAJTYDKQTKZ-MRXNPFEDSA-N 1 0 286.331 2.808 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273080509 281123109 /nfs/dbraw/zinc/12/31/09/281123109.db2.gz QLRLSHHZINEHRA-LSDHHAIUSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273080508 281123116 /nfs/dbraw/zinc/12/31/16/281123116.db2.gz QLRLSHHZINEHRA-HUUCEWRRSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000449345273 281242986 /nfs/dbraw/zinc/24/29/86/281242986.db2.gz VAVOQPWDZBSERM-IOASZLSFSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)O ZINC000542157921 281620258 /nfs/dbraw/zinc/62/02/58/281620258.db2.gz JSFATWXAIGOTQU-UTUOFQBUSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1=CCCOC1 ZINC000554066965 281884597 /nfs/dbraw/zinc/88/45/97/281884597.db2.gz IVVILZPQKXZHKA-LBPRGKRZSA-N 1 0 276.336 2.901 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)C1CC1 ZINC000554993362 281907466 /nfs/dbraw/zinc/90/74/66/281907466.db2.gz ZGQYKCDKONJHMH-DGCLKSJQSA-N 1 0 278.352 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)C1CC1 ZINC000554993363 281907487 /nfs/dbraw/zinc/90/74/87/281907487.db2.gz ZGQYKCDKONJHMH-WCQYABFASA-N 1 0 278.352 2.572 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1CO ZINC000449157751 289747600 /nfs/dbraw/zinc/74/76/00/289747600.db2.gz QYOJNUVTGKVSAD-SNPRPXQTSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cnc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000562518797 290050305 /nfs/dbraw/zinc/05/03/05/290050305.db2.gz GRVKLWMXZDUAKV-UHFFFAOYSA-N 1 0 293.348 2.528 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000278049202 290055257 /nfs/dbraw/zinc/05/52/57/290055257.db2.gz XXYJNDFPIFIVHI-GVXVVHGQSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](C)O ZINC000562789442 290076168 /nfs/dbraw/zinc/07/61/68/290076168.db2.gz ASIOXLJHGNJZRK-GYSYKLTISA-N 1 0 266.341 2.713 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000563122745 290105703 /nfs/dbraw/zinc/10/57/03/290105703.db2.gz PDLIHASINWWLGM-RYUDHWBXSA-N 1 0 282.315 2.974 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000563210122 290118397 /nfs/dbraw/zinc/11/83/97/290118397.db2.gz DHDDCFCQAYMBTN-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO CC(C)([NH2+]C[C@H]1CCCC[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000563216792 290119650 /nfs/dbraw/zinc/11/96/50/290119650.db2.gz LFNZZQOUPRWKNF-IUODEOHRSA-N 1 0 292.379 2.971 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416690 290146313 /nfs/dbraw/zinc/14/63/13/290146313.db2.gz INIXRJAGOCMBHY-SWLSCSKDSA-N 1 0 289.379 2.514 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416101 290146355 /nfs/dbraw/zinc/14/63/55/290146355.db2.gz FSKBPTWRVVCFKZ-GOEBONIOSA-N 1 0 292.379 2.969 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416102 290146645 /nfs/dbraw/zinc/14/66/45/290146645.db2.gz FSKBPTWRVVCFKZ-HOCLYGCPSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417995 290146991 /nfs/dbraw/zinc/14/69/91/290146991.db2.gz NVNWVSJGCKNFBR-ICCXJUOJSA-N 1 0 278.377 2.923 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCOC1 ZINC000563417793 290147179 /nfs/dbraw/zinc/14/71/79/290147179.db2.gz MHVXDFLRNOWEGE-SLEUVZQESA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564099506 290193158 /nfs/dbraw/zinc/19/31/58/290193158.db2.gz KIGYVAHVUOJWTO-GUTXKFCHSA-N 1 0 278.352 2.721 20 5 CFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000564329994 290203758 /nfs/dbraw/zinc/20/37/58/290203758.db2.gz IRAYVICMHMMELZ-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CN1CCCCC1 ZINC000564365304 290206135 /nfs/dbraw/zinc/20/61/35/290206135.db2.gz XYFASZTVZIPWNY-AWEZNQCLSA-N 1 0 291.395 2.867 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000565046323 290262665 /nfs/dbraw/zinc/26/26/65/290262665.db2.gz CITNVDPQBJJRIF-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO CC(C)O[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000565539321 290308289 /nfs/dbraw/zinc/30/82/89/290308289.db2.gz ZYBWDYBKZDMZTP-OAHLLOKOSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cn[nH]c1 ZINC000566474627 290391176 /nfs/dbraw/zinc/39/11/76/290391176.db2.gz GWPPYXGOFYMMSZ-TVQRCGJNSA-N 1 0 272.308 2.656 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476450 290392203 /nfs/dbraw/zinc/39/22/03/290392203.db2.gz ZLCWWIOARFTZCQ-MJVIPROJSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000301988759 301337072 /nfs/dbraw/zinc/33/70/72/301337072.db2.gz WJKYPJAQKUAMHU-CZUORRHYSA-N 1 0 289.379 2.824 20 5 CFBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162538932 322365815 /nfs/dbraw/zinc/36/58/15/322365815.db2.gz RKUYLLNPTGAFEI-STQMWFEESA-N 1 0 280.372 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cscn1 ZINC000569624317 322486174 /nfs/dbraw/zinc/48/61/74/322486174.db2.gz XDWAGMHBMURLLV-ZDUSSCGKSA-N 1 0 289.360 2.871 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccncc1 ZINC000575072172 322717541 /nfs/dbraw/zinc/71/75/41/322717541.db2.gz SJINXSPONWSJNR-HNNXBMFYSA-N 1 0 283.331 2.809 20 5 CFBDRO C[C@H]([NH2+]CCCc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000575813054 322730610 /nfs/dbraw/zinc/73/06/10/322730610.db2.gz UWJOERFGYPIGDR-LBPRGKRZSA-N 1 0 288.351 2.612 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182294281 323854135 /nfs/dbraw/zinc/85/41/35/323854135.db2.gz VJGAZKOJBGNKNJ-GJZGRUSLSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000576121959 324580991 /nfs/dbraw/zinc/58/09/91/324580991.db2.gz SIZNUEMPFIRYPF-UKRRQHHQSA-N 1 0 276.336 2.598 20 5 CFBDRO CCSCC[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577543885 324750925 /nfs/dbraw/zinc/75/09/25/324750925.db2.gz QKEYWRLCVVBADM-UHFFFAOYSA-N 1 0 293.392 2.961 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccn2CCC1CC[NH2+]CC1 ZINC000578860372 324896103 /nfs/dbraw/zinc/89/61/03/324896103.db2.gz PNEMNMNGHGWBJR-UHFFFAOYSA-N 1 0 273.336 2.939 20 5 CFBDRO COCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000580449071 325037974 /nfs/dbraw/zinc/03/79/74/325037974.db2.gz FPLSSKGRFGIYNA-AWEZNQCLSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H]1CCO ZINC000580725654 325059504 /nfs/dbraw/zinc/05/95/04/325059504.db2.gz VWWMDDUGMZWUPK-UGFHNGPFSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H]1CCO ZINC000580725651 325059782 /nfs/dbraw/zinc/05/97/82/325059782.db2.gz VWWMDDUGMZWUPK-CQDKDKBSSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000581097752 325089964 /nfs/dbraw/zinc/08/99/64/325089964.db2.gz ONAVBTBRWWHHGB-OLZOCXBDSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000581301999 325108706 /nfs/dbraw/zinc/10/87/06/325108706.db2.gz OOEKEKYVPUIXCG-LLVKDONJSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H](O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000581877768 325155819 /nfs/dbraw/zinc/15/58/19/325155819.db2.gz FVYDAWACCALRDV-CQSZACIVSA-N 1 0 290.363 2.783 20 5 CFBDRO CC[NH+](CC)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582557180 325215643 /nfs/dbraw/zinc/21/56/43/325215643.db2.gz VFKMTQNIQUAKEG-CQSZACIVSA-N 1 0 277.368 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000583082156 325258901 /nfs/dbraw/zinc/25/89/01/325258901.db2.gz HXNRMTQVNKDGAO-ZBFHGGJFSA-N 1 0 290.363 2.986 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1c(F)cccc1[N+](=O)[O-] ZINC000230975404 518758492 /nfs/dbraw/zinc/75/84/92/518758492.db2.gz NRPFGPBUTYJXCD-UHFFFAOYSA-N 1 0 255.293 2.534 20 5 CFBDRO CCC[N@H+](CC)CCNc1ccccc1[N+](=O)[O-] ZINC000080677959 521610338 /nfs/dbraw/zinc/61/03/38/521610338.db2.gz HFOVZLFAMSOFEG-UHFFFAOYSA-N 1 0 251.330 2.739 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000426525979 533823604 /nfs/dbraw/zinc/82/36/04/533823604.db2.gz SWYHZUTVVMQOAS-OLZOCXBDSA-N 1 0 276.336 2.978 20 5 CFBDRO CS[C@@H]1CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000425343070 534001020 /nfs/dbraw/zinc/00/10/20/534001020.db2.gz IBGFOHRQEPSZAT-DGCLKSJQSA-N 1 0 266.366 2.621 20 5 CFBDRO Cc1ccc(CNC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414832667 534066823 /nfs/dbraw/zinc/06/68/23/534066823.db2.gz OOBCBIIGKLRJOF-HNNXBMFYSA-N 1 0 285.347 2.693 20 5 CFBDRO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000413058610 534098162 /nfs/dbraw/zinc/09/81/62/534098162.db2.gz ZZNMTJABWISLSV-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443648 519224062 /nfs/dbraw/zinc/22/40/62/519224062.db2.gz AGHBABZTDDTXBS-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361652956 519836044 /nfs/dbraw/zinc/83/60/44/519836044.db2.gz HCRIOXQCPUBKSU-GXTWGEPZSA-N 1 0 292.379 2.778 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081537255 520132142 /nfs/dbraw/zinc/13/21/42/520132142.db2.gz MUDXCOACYIEVFK-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072859482 520249635 /nfs/dbraw/zinc/24/96/35/520249635.db2.gz RUVNSTIUJYISPE-LBPRGKRZSA-N 1 0 295.358 2.508 20 5 CFBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361239649 520291589 /nfs/dbraw/zinc/29/15/89/520291589.db2.gz WSDQYZKQGFCVFH-VSKVDJIOSA-N 1 0 276.336 2.719 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000328272344 520607520 /nfs/dbraw/zinc/60/75/20/520607520.db2.gz WIVCIFBSEGCNBK-LBPRGKRZSA-N 1 0 284.743 2.905 20 5 CFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000055901394 521041086 /nfs/dbraw/zinc/04/10/86/521041086.db2.gz AFJHHPTXGQLOFZ-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)C ZINC000062732048 521280888 /nfs/dbraw/zinc/28/08/88/521280888.db2.gz GZVNDRKWOMGFPO-UHFFFAOYSA-N 1 0 252.314 2.739 20 5 CFBDRO CCOC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000231884094 521651975 /nfs/dbraw/zinc/65/19/75/521651975.db2.gz NYCSVSMABAMEMC-UHFFFAOYSA-N 1 0 264.325 2.560 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359111407 521659742 /nfs/dbraw/zinc/65/97/42/521659742.db2.gz VOOZNGUZTOYHHF-LBPRGKRZSA-N 1 0 278.356 2.503 20 5 CFBDRO COc1cc(CSCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000183863103 522499985 /nfs/dbraw/zinc/49/99/85/522499985.db2.gz ICAOWLYSMJBGBV-UHFFFAOYSA-N 1 0 288.344 2.537 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000228942002 522686060 /nfs/dbraw/zinc/68/60/60/522686060.db2.gz RGPBLBVJEDNIFD-FZMZJTMJSA-N 1 0 293.367 2.549 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274751 522861714 /nfs/dbraw/zinc/86/17/14/522861714.db2.gz DGDOPIIGZJVSSU-HZPDHXFCSA-N 1 0 291.395 2.976 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160327592 522920031 /nfs/dbraw/zinc/92/00/31/522920031.db2.gz SJBUUUZLIQEJSV-GXTWGEPZSA-N 1 0 298.408 2.750 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000159456188 523231348 /nfs/dbraw/zinc/23/13/48/523231348.db2.gz XMLKUEXZBUIOMF-FZMZJTMJSA-N 1 0 298.770 2.841 20 5 CFBDRO COc1ccc(C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000051092637 524025684 /nfs/dbraw/zinc/02/56/84/524025684.db2.gz IMOHAHISXZIAMV-UHFFFAOYSA-N 1 0 264.325 2.979 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1O ZINC000305150251 524251855 /nfs/dbraw/zinc/25/18/55/524251855.db2.gz TVFSXQDSCMTPCV-XPKDYRNWSA-N 1 0 292.379 2.809 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230313724 524609069 /nfs/dbraw/zinc/60/90/69/524609069.db2.gz SGAFSKBEYWASCH-DZGCQCFKSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000218852581 524681397 /nfs/dbraw/zinc/68/13/97/524681397.db2.gz CBPSWUCLVGENPX-LBPRGKRZSA-N 1 0 263.341 2.657 20 5 CFBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000158238105 525268857 /nfs/dbraw/zinc/26/88/57/525268857.db2.gz KBDCWSIVRVCAAZ-PWSUYJOCSA-N 1 0 297.786 2.821 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000156703815 525352693 /nfs/dbraw/zinc/35/26/93/525352693.db2.gz BBLFBEZZRZLULC-KBPBESRZSA-N 1 0 291.395 2.977 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000338646890 525450367 /nfs/dbraw/zinc/45/03/67/525450367.db2.gz MOEQSLCBCYIMJZ-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cccc1[N+](=O)[O-] ZINC000334787895 525709089 /nfs/dbraw/zinc/70/90/89/525709089.db2.gz IXZVDZOCLLEDOX-RYUDHWBXSA-N 1 0 264.350 2.593 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000181454765 525727235 /nfs/dbraw/zinc/72/72/35/525727235.db2.gz NJZUQDLWOLDNLX-AWEZNQCLSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1c(C[NH2+][C@]2(C)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000235449391 525730368 /nfs/dbraw/zinc/73/03/68/525730368.db2.gz JWIHZILNIIHGHG-SMDDNHRTSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1ccc2ccnc(NCC[N@H+]3CC=CCC3)c2c1 ZINC000413272144 534884824 /nfs/dbraw/zinc/88/48/24/534884824.db2.gz TWMFFCOZELGQGA-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000413330135 534888574 /nfs/dbraw/zinc/88/85/74/534888574.db2.gz YEAOOBHDDJECPW-UHFFFAOYSA-N 1 0 294.330 2.558 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000361396189 525921470 /nfs/dbraw/zinc/92/14/70/525921470.db2.gz FFCRWLBCOOBHAF-SWLSCSKDSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000226731197 525939435 /nfs/dbraw/zinc/93/94/35/525939435.db2.gz FMZGJFMWDRISAE-ZLKJLUDKSA-N 1 0 278.352 2.713 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168536963 525940133 /nfs/dbraw/zinc/94/01/33/525940133.db2.gz NVVBGZKZJLJBEZ-NEPJUHHUSA-N 1 0 265.357 2.504 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCO1 ZINC000067446457 526085389 /nfs/dbraw/zinc/08/53/89/526085389.db2.gz FSGRXURXMOBMDD-RISCZKNCSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)C ZINC000339254532 526146393 /nfs/dbraw/zinc/14/63/93/526146393.db2.gz NVVZMJJLWSMWBV-LLVKDONJSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000080693784 526725515 /nfs/dbraw/zinc/72/55/15/526725515.db2.gz GBLVREHZAKLASZ-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO [NH3+]C1(c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)CCCC1 ZINC000159935074 527132864 /nfs/dbraw/zinc/13/28/64/527132864.db2.gz JRFHOFQBXYWHDT-UHFFFAOYSA-N 1 0 292.270 2.512 20 5 CFBDRO CC(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420276399 527316246 /nfs/dbraw/zinc/31/62/46/527316246.db2.gz HLEJEGARXKMMRR-AAEUAGOBSA-N 1 0 291.351 2.727 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CCOCC2)cs1 ZINC000310699304 527328715 /nfs/dbraw/zinc/32/87/15/527328715.db2.gz VTGFBWWGAGCNDM-UHFFFAOYSA-N 1 0 270.354 2.563 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCCO1 ZINC000050443924 527332279 /nfs/dbraw/zinc/33/22/79/527332279.db2.gz AXQMCLXWARSBSM-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCC[NH+]1CCCC1 ZINC000148522026 527336101 /nfs/dbraw/zinc/33/61/01/527336101.db2.gz QCCRGDMESMXQFR-UHFFFAOYSA-N 1 0 284.747 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccncc1)CC2 ZINC000088607305 527378467 /nfs/dbraw/zinc/37/84/67/527378467.db2.gz IGOUBABAHIFUOX-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]CC23CCCCC3)c1 ZINC000088395418 527387202 /nfs/dbraw/zinc/38/72/02/527387202.db2.gz WQMHAKSZHUDGNU-UHFFFAOYSA-N 1 0 289.379 2.703 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000366248225 527395256 /nfs/dbraw/zinc/39/52/56/527395256.db2.gz HNANCIQCHAPICC-LYKUJDHUSA-N 1 0 288.347 2.576 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000061589435 527400266 /nfs/dbraw/zinc/40/02/66/527400266.db2.gz WVYPBPKBWKYJNR-NSHDSACASA-N 1 0 252.339 2.580 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c1 ZINC000364328645 527417604 /nfs/dbraw/zinc/41/76/04/527417604.db2.gz OJGOLGIXCMXMAY-KGLIPLIRSA-N 1 0 290.367 2.785 20 5 CFBDRO CCC[N@H+](CC)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156815351 527980814 /nfs/dbraw/zinc/98/08/14/527980814.db2.gz FCGMYJIEEZLBCM-CYBMUJFWSA-N 1 0 279.384 2.977 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414851513 528308152 /nfs/dbraw/zinc/30/81/52/528308152.db2.gz OZLIHBOXGPRSDI-DYLGSBMWSA-N 1 0 277.368 2.571 20 5 CFBDRO CCNCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414847523 528336072 /nfs/dbraw/zinc/33/60/72/528336072.db2.gz OWAVEXIBXCIJES-ZFWWWQNUSA-N 1 0 291.395 2.505 20 5 CFBDRO CCC[NH2+]CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423306608 528511955 /nfs/dbraw/zinc/51/19/55/528511955.db2.gz FBFSMYCWWWUAPR-AWEZNQCLSA-N 1 0 265.357 2.635 20 5 CFBDRO CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270055 528517542 /nfs/dbraw/zinc/51/75/42/528517542.db2.gz WKERBAJYKDCYDQ-WCQYABFASA-N 1 0 265.357 2.619 20 5 CFBDRO CCC(C)(C)OCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000308753173 528591734 /nfs/dbraw/zinc/59/17/34/528591734.db2.gz VINZUDJRCDHXME-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO CCOc1ccc([C@H](C)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423324106 528605630 /nfs/dbraw/zinc/60/56/30/528605630.db2.gz KFTGBUNKHRJAPE-NSHDSACASA-N 1 0 293.367 2.526 20 5 CFBDRO CCCC[C@@H](C[NH3+])NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414811092 528818084 /nfs/dbraw/zinc/81/80/84/528818084.db2.gz IVBHJWSICJPSKC-OWNNVSBGSA-N 1 0 277.368 2.715 20 5 CFBDRO CCCC[C@@H](CN)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299969 528820234 /nfs/dbraw/zinc/82/02/34/528820234.db2.gz QPMDXWKUZIXPMC-JSGCOSHPSA-N 1 0 279.384 2.633 20 5 CFBDRO CC(C)[NH+](CCN(C)c1ncc([N+](=O)[O-])cc1F)C(C)C ZINC000413251249 528902109 /nfs/dbraw/zinc/90/21/09/528902109.db2.gz WNHRGTVOCIMPPF-UHFFFAOYSA-N 1 0 298.362 2.684 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000116279095 528939328 /nfs/dbraw/zinc/93/93/28/528939328.db2.gz SQZUJNVUUJKPHW-JTQLQIEISA-N 1 0 286.759 2.839 20 5 CFBDRO CCC([NH3+])(CC)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423280825 528952610 /nfs/dbraw/zinc/95/26/10/528952610.db2.gz AKLSCTHEBQZQCA-LLVKDONJSA-N 1 0 265.357 2.763 20 5 CFBDRO CCC[C@@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423182197 529020127 /nfs/dbraw/zinc/02/01/27/529020127.db2.gz GNGMMBPSPWIHJD-UKRRQHHQSA-N 1 0 277.368 2.778 20 5 CFBDRO CCn1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000414208383 529171986 /nfs/dbraw/zinc/17/19/86/529171986.db2.gz ISUOGGXXJPOZJQ-LBPRGKRZSA-N 1 0 288.351 2.532 20 5 CFBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414529420 529189928 /nfs/dbraw/zinc/18/99/28/529189928.db2.gz PAQAWTJZZSKBEP-ZYHUDNBSSA-N 1 0 272.370 2.541 20 5 CFBDRO CCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435377768 535388727 /nfs/dbraw/zinc/38/87/27/535388727.db2.gz ASQRNOPOTWAJAS-LBPRGKRZSA-N 1 0 283.397 2.620 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000267181259 535651326 /nfs/dbraw/zinc/65/13/26/535651326.db2.gz FNTODSRHVYBWFE-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000452024300 535754023 /nfs/dbraw/zinc/75/40/23/535754023.db2.gz RJAAISHAIHNWOM-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO COC1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000459678366 536736356 /nfs/dbraw/zinc/73/63/56/536736356.db2.gz NFWDHDZSMIGFEJ-UHFFFAOYSA-N 1 0 278.352 2.950 20 5 CFBDRO Cc1c(C)c(NC[C@H]2CCC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC001155025681 782173633 /nfs/dbraw/zinc/17/36/33/782173633.db2.gz PLUKRYZQSMPBTK-ZWNOBZJWSA-N 1 0 292.383 2.654 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209743 574112679 /nfs/dbraw/zinc/11/26/79/574112679.db2.gz YBMWFLIMGONSBW-SNVBAGLBSA-N 1 0 292.364 2.711 20 5 CFBDRO Cc1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000747211663 574187436 /nfs/dbraw/zinc/18/74/36/574187436.db2.gz HXGHPHWLMCNWJY-CYBMUJFWSA-N 1 0 277.368 2.870 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755922755 574198293 /nfs/dbraw/zinc/19/82/93/574198293.db2.gz JFEGDIOQBJKDLW-GFCCVEGCSA-N 1 0 288.351 2.880 20 5 CFBDRO Cc1cc(C(=O)OCCCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000747769900 574211543 /nfs/dbraw/zinc/21/15/43/574211543.db2.gz WOWQMXACGVCMCB-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO CCC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000748046170 574226738 /nfs/dbraw/zinc/22/67/38/574226738.db2.gz FUOGLWTYCCYNHV-ZDUSSCGKSA-N 1 0 277.368 2.905 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000740874587 574272449 /nfs/dbraw/zinc/27/24/49/574272449.db2.gz RYMDIUHTOSUCOH-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000749282404 574288114 /nfs/dbraw/zinc/28/81/14/574288114.db2.gz SWZPKFZOCLABGL-UWVGGRQHSA-N 1 0 269.370 2.941 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749668832 574304411 /nfs/dbraw/zinc/30/44/11/574304411.db2.gz ALKDVKLIQCXALP-KYOSRNDESA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccsc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749694725 574305577 /nfs/dbraw/zinc/30/55/77/574305577.db2.gz YPUIGJHBOLYYJP-CYBMUJFWSA-N 1 0 292.360 2.788 20 5 CFBDRO CCCC[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749940661 574317449 /nfs/dbraw/zinc/31/74/49/574317449.db2.gz MEYOZWHHIWBJBJ-UHFFFAOYSA-N 1 0 291.355 2.727 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000742380877 574325997 /nfs/dbraw/zinc/32/59/97/574325997.db2.gz RZPGZNXEQUMYHX-KGLIPLIRSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCc2ccccc21 ZINC000725849750 574330898 /nfs/dbraw/zinc/33/08/98/574330898.db2.gz WPITVKUZEKSTAA-UHFFFAOYSA-N 1 0 297.358 2.747 20 5 CFBDRO CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000735990339 574347041 /nfs/dbraw/zinc/34/70/41/574347041.db2.gz BOHWDTCCMWLHAV-AWEZNQCLSA-N 1 0 294.351 2.758 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCSC[C@@H]1C ZINC000934297534 617990404 /nfs/dbraw/zinc/99/04/04/617990404.db2.gz CCLXETOPTJITDB-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934396387 618029798 /nfs/dbraw/zinc/02/97/98/618029798.db2.gz OLNFANRTKDJAPL-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC[C@H]1C ZINC000932501870 617824514 /nfs/dbraw/zinc/82/45/14/617824514.db2.gz QRQTXRTZLSKSGY-RISCZKNCSA-N 1 0 294.351 2.507 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804811994 617895442 /nfs/dbraw/zinc/89/54/42/617895442.db2.gz CDOFZAXRYUJOLI-HIFRSBDPSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804811995 617895717 /nfs/dbraw/zinc/89/57/17/617895717.db2.gz CDOFZAXRYUJOLI-UKRRQHHQSA-N 1 0 289.379 2.966 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000892101939 617949747 /nfs/dbraw/zinc/94/97/47/617949747.db2.gz OYEFVHXQSJBENV-NXEZZACHSA-N 1 0 280.324 2.539 20 5 CFBDRO C[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000158666987 618075814 /nfs/dbraw/zinc/07/58/14/618075814.db2.gz WRXOHLNADAEBEV-KBPBESRZSA-N 1 0 296.392 2.504 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000219235284 618176281 /nfs/dbraw/zinc/17/62/81/618176281.db2.gz JYKQSUUPYDPFJV-XQQFMLRXSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000090794978 618195334 /nfs/dbraw/zinc/19/53/34/618195334.db2.gz NROUNMRJLWEAQR-ZJUUUORDSA-N 1 0 267.304 2.629 20 5 CFBDRO COc1c(O)ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000891446349 618209272 /nfs/dbraw/zinc/20/92/72/618209272.db2.gz XYIXCEWXYUOQII-QWRGUYRKSA-N 1 0 294.351 2.787 20 5 CFBDRO CS[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000162698219 618464627 /nfs/dbraw/zinc/46/46/27/618464627.db2.gz IHJQMYIRDSIITB-VIFPVBQESA-N 1 0 254.355 2.744 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000312729157 618478689 /nfs/dbraw/zinc/47/86/89/618478689.db2.gz IWZSEHZSLRCOHO-GFCCVEGCSA-N 1 0 279.296 2.781 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H](C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000895440951 618588153 /nfs/dbraw/zinc/58/81/53/618588153.db2.gz LSJAHJATUHAVPK-ZDUSSCGKSA-N 1 0 294.351 2.833 20 5 CFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000313457526 618989508 /nfs/dbraw/zinc/98/95/08/618989508.db2.gz CPURPULIGUIDRT-IINYFYTJSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000149856681 619047783 /nfs/dbraw/zinc/04/77/83/619047783.db2.gz HUNWVUQNZAOMRW-GFCCVEGCSA-N 1 0 266.366 2.888 20 5 CFBDRO C[NH+]1C[C@@]2(C)CN(c3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894796900 619468648 /nfs/dbraw/zinc/46/86/48/619468648.db2.gz HDFLJPPMTWFAJA-GJZGRUSLSA-N 1 0 293.342 2.512 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880300547 619474704 /nfs/dbraw/zinc/47/47/04/619474704.db2.gz GUHDMXXEUUIOSF-LBPRGKRZSA-N 1 0 252.289 2.695 20 5 CFBDRO Cc1cc(N2CCC(C)([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000894847209 619481829 /nfs/dbraw/zinc/48/18/29/619481829.db2.gz AKVBVHCCNQWSAC-UHFFFAOYSA-N 1 0 295.358 2.963 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000087028425 619485205 /nfs/dbraw/zinc/48/52/05/619485205.db2.gz JQIXAONNDQJDAG-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000894944352 619514793 /nfs/dbraw/zinc/51/47/93/619514793.db2.gz PDHBQDMXPNOGHU-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737281 619597301 /nfs/dbraw/zinc/59/73/01/619597301.db2.gz PCAPUGFVMMWNJK-MFKMUULPSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737245 619597566 /nfs/dbraw/zinc/59/75/66/619597566.db2.gz OEHUZGJBEYEHME-HZMBPMFUSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000895738709 619598500 /nfs/dbraw/zinc/59/85/00/619598500.db2.gz YQTZZPAPAPMRPH-GWCFXTLKSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000895738710 619598528 /nfs/dbraw/zinc/59/85/28/619598528.db2.gz YQTZZPAPAPMRPH-GXFFZTMASA-N 1 0 286.335 2.648 20 5 CFBDRO COC(OC)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000895789979 619607475 /nfs/dbraw/zinc/60/74/75/619607475.db2.gz GPIPVPIFOZGIGZ-NEPJUHHUSA-N 1 0 296.367 2.513 20 5 CFBDRO CC1([NH+]2CCC2)CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000896254229 619703325 /nfs/dbraw/zinc/70/33/25/619703325.db2.gz HCFUIXDFEXDCCR-UHFFFAOYSA-N 1 0 296.396 2.870 20 5 CFBDRO C[NH+]1CCC2(CCN2c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000897137132 619939193 /nfs/dbraw/zinc/93/91/93/619939193.db2.gz SWVFPKJACJJNNZ-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2ccncc2)cc1[N+](=O)[O-] ZINC000034994672 620007046 /nfs/dbraw/zinc/00/70/46/620007046.db2.gz BEPHQDYJBJWQCD-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000897461164 620176683 /nfs/dbraw/zinc/17/66/83/620176683.db2.gz MFCJBPANUKDUPG-FRRDWIJNSA-N 1 0 278.352 2.855 20 5 CFBDRO C=Cn1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897465695 620177213 /nfs/dbraw/zinc/17/72/13/620177213.db2.gz ZYUCVEBTAQEGOU-GFCCVEGCSA-N 1 0 286.335 2.785 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CO1 ZINC000897781362 620284384 /nfs/dbraw/zinc/28/43/84/620284384.db2.gz WDJJTXDJIDYYGD-CBZQXFMTSA-N 1 0 282.365 2.704 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(CCO)C1 ZINC000898010379 620316940 /nfs/dbraw/zinc/31/69/40/620316940.db2.gz FQWYGVPZFXTQHJ-GHXNOFRVSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c(Cl)c1 ZINC000898381727 620378103 /nfs/dbraw/zinc/37/81/03/620378103.db2.gz LKNIWECZKSWMKA-TZMCWYRMSA-N 1 0 296.754 2.763 20 5 CFBDRO CCOCCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000927088829 620451373 /nfs/dbraw/zinc/45/13/73/620451373.db2.gz WUXCZLHZAYINCT-CYBMUJFWSA-N 1 0 296.367 2.607 20 5 CFBDRO C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432726 621078353 /nfs/dbraw/zinc/07/83/53/621078353.db2.gz XAMDMSRMMSPFIP-IPYPFGDCSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000902432728 621078510 /nfs/dbraw/zinc/07/85/10/621078510.db2.gz XAMDMSRMMSPFIP-NFAWXSAZSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000902445988 621083471 /nfs/dbraw/zinc/08/34/71/621083471.db2.gz NNYNBEYOTRIOER-SMDDNHRTSA-N 1 0 277.368 2.552 20 5 CFBDRO C[C@@H](NC[C@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902491272 621102708 /nfs/dbraw/zinc/10/27/08/621102708.db2.gz WPFKQEHHMWTHOE-TZMCWYRMSA-N 1 0 277.368 2.778 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000902650382 621143421 /nfs/dbraw/zinc/14/34/21/621143421.db2.gz ONRMZVHKDSCFEW-FZMZJTMJSA-N 1 0 286.335 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)c2c1 ZINC000902649871 621143576 /nfs/dbraw/zinc/14/35/76/621143576.db2.gz GVXJCGUROCLQEV-FZMZJTMJSA-N 1 0 286.335 2.776 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903066861 621239587 /nfs/dbraw/zinc/23/95/87/621239587.db2.gz MAWJQMDULHUDCZ-BXUZGUMPSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903083347 621246316 /nfs/dbraw/zinc/24/63/16/621246316.db2.gz FOMXSUWVHDMRJC-FZMZJTMJSA-N 1 0 296.367 2.661 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903104136 621254640 /nfs/dbraw/zinc/25/46/40/621254640.db2.gz QRZRMNWDVDGVKN-OAHLLOKOSA-N 1 0 290.363 2.829 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903111120 621257144 /nfs/dbraw/zinc/25/71/44/621257144.db2.gz UAMRTDLQHGIEFB-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCOC2CCC2)cc([N+](=O)[O-])c1 ZINC000903137091 621265414 /nfs/dbraw/zinc/26/54/14/621265414.db2.gz IFDCUNMBRKVNSY-LLVKDONJSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC2=CCOCC2)cc([N+](=O)[O-])c1 ZINC000903177073 621275284 /nfs/dbraw/zinc/27/52/84/621275284.db2.gz HEYZUUJTMLMNDK-LLVKDONJSA-N 1 0 292.335 2.601 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903177373 621275796 /nfs/dbraw/zinc/27/57/96/621275796.db2.gz LXZWSPBEIFJANI-ZUZCIYMTSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903179219 621276280 /nfs/dbraw/zinc/27/62/80/621276280.db2.gz OFOLOBFCJUAXGU-MNOVXSKESA-N 1 0 296.367 2.804 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903210155 621288798 /nfs/dbraw/zinc/28/87/98/621288798.db2.gz UELODLOIOGZABU-WCQYABFASA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246397 621295073 /nfs/dbraw/zinc/29/50/73/621295073.db2.gz UPXLVTLVZALDQF-DGCLKSJQSA-N 1 0 286.335 2.629 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000903244911 621295552 /nfs/dbraw/zinc/29/55/52/621295552.db2.gz GGDPASKDRORHQM-NWDGAFQWSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H](CCCCO)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244813 621295858 /nfs/dbraw/zinc/29/58/58/621295858.db2.gz DRQLKIMMHPIBLR-OLZOCXBDSA-N 1 0 280.368 2.839 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC000903246153 621296281 /nfs/dbraw/zinc/29/62/81/621296281.db2.gz RMNGKGOPAADNRK-RYUDHWBXSA-N 1 0 280.368 2.695 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903247629 621305493 /nfs/dbraw/zinc/30/54/93/621305493.db2.gz WSHSIWDPQHIMRF-GFQSEFKGSA-N 1 0 278.352 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC(CCO)C1)CCC2 ZINC000903328935 621340075 /nfs/dbraw/zinc/34/00/75/621340075.db2.gz HLCKABALPKBHRU-TZDAIYRESA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903393180 621352337 /nfs/dbraw/zinc/35/23/37/621352337.db2.gz IDUQICUFRVHHNQ-VCTAVGKDSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H](O)C1CC1)CCC2 ZINC000903408555 621363843 /nfs/dbraw/zinc/36/38/43/621363843.db2.gz SKJDXEHPCYZNLZ-HZPDHXFCSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000903471335 621389613 /nfs/dbraw/zinc/38/96/13/621389613.db2.gz IYDYZZDFYBAUJU-DOMZBBRYSA-N 1 0 289.379 2.838 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC000924800602 621629198 /nfs/dbraw/zinc/62/91/98/621629198.db2.gz ZLHOZOMCNNUDBE-GHMZBOCLSA-N 1 0 272.308 2.797 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000905077535 621689452 /nfs/dbraw/zinc/68/94/52/621689452.db2.gz ZTTPFXSZQLZTNH-GFCCVEGCSA-N 1 0 286.278 2.532 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000905243222 621726042 /nfs/dbraw/zinc/72/60/42/621726042.db2.gz HUTRYSAUHIXBRX-GZMMTYOYSA-N 1 0 275.135 2.716 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000905279982 621737655 /nfs/dbraw/zinc/73/76/55/621737655.db2.gz LNGAFSGVXUHZCW-DGCLKSJQSA-N 1 0 268.744 2.842 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000905286875 621737885 /nfs/dbraw/zinc/73/78/85/621737885.db2.gz SNFDOUMZSSCNCB-AAEUAGOBSA-N 1 0 268.744 2.842 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000905608486 621796592 /nfs/dbraw/zinc/79/65/92/621796592.db2.gz MUWZBUYZWWNAMH-SCDSUCTJSA-N 1 0 296.392 2.502 20 5 CFBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905851922 621888726 /nfs/dbraw/zinc/88/87/26/621888726.db2.gz DHQILTJENQVSNL-IJLUTSLNSA-N 1 0 293.367 2.549 20 5 CFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905854996 621889590 /nfs/dbraw/zinc/88/95/90/621889590.db2.gz YURXYTXIIAETNW-VXGBXAGGSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1ccc(NC(=O)C[C@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000911907354 622581506 /nfs/dbraw/zinc/58/15/06/622581506.db2.gz YLMNDWDXMJUFRZ-LLVKDONJSA-N 1 0 279.340 2.605 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000225588838 623045316 /nfs/dbraw/zinc/04/53/16/623045316.db2.gz XHTYNXHOWHBSFU-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2cccnc21 ZINC000226818377 623090230 /nfs/dbraw/zinc/09/02/30/623090230.db2.gz XBCVHRMXTRQPEI-CYBMUJFWSA-N 1 0 269.304 2.767 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000877124844 623097988 /nfs/dbraw/zinc/09/79/88/623097988.db2.gz QGPHEIBBAGMSGP-JTQLQIEISA-N 1 0 289.162 2.921 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172156663 623265446 /nfs/dbraw/zinc/26/54/46/623265446.db2.gz RDSLBJCXQUYKKC-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230701614 623292411 /nfs/dbraw/zinc/29/24/11/623292411.db2.gz SXQRPJUUHGLZSS-CQSZACIVSA-N 1 0 266.341 2.544 20 5 CFBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388370 623345740 /nfs/dbraw/zinc/34/57/40/623345740.db2.gz ZJBQFVPEWHSJDR-DGCLKSJQSA-N 1 0 266.345 2.649 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cccc1[N+](=O)[O-] ZINC000231884545 623373097 /nfs/dbraw/zinc/37/30/97/623373097.db2.gz BSIPOFOSTKRUOO-MFKMUULPSA-N 1 0 264.325 2.560 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526613 623810688 /nfs/dbraw/zinc/81/06/88/623810688.db2.gz PCXHDKXJZLNVRG-LLVKDONJSA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1Cl ZINC000914435345 623853418 /nfs/dbraw/zinc/85/34/18/623853418.db2.gz BQEDHJZQLGWIQQ-YPMHNXCESA-N 1 0 296.754 2.763 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOc1ccc([N+](=O)[O-])cc1F ZINC000915664543 624092882 /nfs/dbraw/zinc/09/28/82/624092882.db2.gz LRQBXYKVSGGGLK-LLVKDONJSA-N 1 0 282.315 2.987 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193725730 624095609 /nfs/dbraw/zinc/09/56/09/624095609.db2.gz QHMFXEGULDSVEP-VIFPVBQESA-N 1 0 252.289 2.964 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834912984 625920560 /nfs/dbraw/zinc/92/05/60/625920560.db2.gz NVWHJCGFUJACEG-PSOPSSQASA-N 1 0 293.367 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000921564750 625988765 /nfs/dbraw/zinc/98/87/65/625988765.db2.gz XINOGZPGKFMCTN-RBSFLKMASA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC000921564751 625988881 /nfs/dbraw/zinc/98/88/81/625988881.db2.gz XINOGZPGKFMCTN-RRFJBIMHSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CNCCC[NH+]1CCCC1 ZINC000084439784 626015732 /nfs/dbraw/zinc/01/57/32/626015732.db2.gz DJVVPJYMHZTCDU-UHFFFAOYSA-N 1 0 297.786 2.824 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000922644236 626330641 /nfs/dbraw/zinc/33/06/41/626330641.db2.gz ZMLCJEUVHWMDJT-RISCZKNCSA-N 1 0 278.352 2.843 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000922817295 626372114 /nfs/dbraw/zinc/37/21/14/626372114.db2.gz PBYLTRXTZLJFPQ-HNNXBMFYSA-N 1 0 278.352 2.952 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1 ZINC000923026902 626443813 /nfs/dbraw/zinc/44/38/13/626443813.db2.gz DITAILQZOBLJFR-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)c(F)c1 ZINC000923031175 626444362 /nfs/dbraw/zinc/44/43/62/626444362.db2.gz VKECQWRWJBMOKB-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO Cc1c(C[NH2+][C@]23C[C@H]2COC32CCC2)cccc1[N+](=O)[O-] ZINC000923030144 626445237 /nfs/dbraw/zinc/44/52/37/626445237.db2.gz IJBIRZSLHVGNKD-XJKSGUPXSA-N 1 0 288.347 2.704 20 5 CFBDRO Cc1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923530654 626478844 /nfs/dbraw/zinc/47/88/44/626478844.db2.gz LQUDOASZQZPLRH-MRXNPFEDSA-N 1 0 289.379 2.621 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534428 626478968 /nfs/dbraw/zinc/47/89/68/626478968.db2.gz OMQYQWMYHJSOBK-CJNGLKHVSA-N 1 0 289.379 2.874 20 5 CFBDRO CSCC[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886068371 626482964 /nfs/dbraw/zinc/48/29/64/626482964.db2.gz WTSRELBTOMNMOK-SNVBAGLBSA-N 1 0 269.370 2.563 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839147296 626526156 /nfs/dbraw/zinc/52/61/56/626526156.db2.gz HJFXSPXCRFCVGN-KLPPZKSPSA-N 1 0 284.743 2.905 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000839148296 626526266 /nfs/dbraw/zinc/52/62/66/626526266.db2.gz XQWRONARDYVMOR-PHIMTYICSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCCCCO)C2 ZINC000757167224 626546116 /nfs/dbraw/zinc/54/61/16/626546116.db2.gz CDVIJWUJAOERCV-UHFFFAOYSA-N 1 0 278.352 2.506 20 5 CFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000764628289 627078139 /nfs/dbraw/zinc/07/81/39/627078139.db2.gz LTCVMTPBSBUZHL-LBPRGKRZSA-N 1 0 289.379 2.952 20 5 CFBDRO C[C@H]1C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765338135 627131902 /nfs/dbraw/zinc/13/19/02/627131902.db2.gz VMYADTOENDFLEF-QWHCGFSZSA-N 1 0 289.379 2.809 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000765640994 627152276 /nfs/dbraw/zinc/15/22/76/627152276.db2.gz IRQBBOHXSFYCIS-VXGBXAGGSA-N 1 0 263.341 2.514 20 5 CFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768770275 627370178 /nfs/dbraw/zinc/37/01/78/627370178.db2.gz HLBSRYVHICTYHN-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000771459445 627605802 /nfs/dbraw/zinc/60/58/02/627605802.db2.gz KHMRGLCBTWKWDW-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771459423 627605953 /nfs/dbraw/zinc/60/59/53/627605953.db2.gz JYIMWWCIQBNBIR-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO CCc1ccc(C(=O)OCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000772164975 627681983 /nfs/dbraw/zinc/68/19/83/627681983.db2.gz SRIJCJRCDCVXIW-UHFFFAOYSA-N 1 0 294.351 2.656 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773011639 627768228 /nfs/dbraw/zinc/76/82/28/627768228.db2.gz IFIGXCYMDXRCPC-GJZGRUSLSA-N 1 0 278.352 2.797 20 5 CFBDRO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550000 628036454 /nfs/dbraw/zinc/03/64/54/628036454.db2.gz WCMNHJVHOMVBDU-SEVUFMINSA-N 1 0 292.335 2.673 20 5 CFBDRO C[N@@H+](Cc1ccsc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272254 628125147 /nfs/dbraw/zinc/12/51/47/628125147.db2.gz SDFCGLDFAKXSQP-AWEZNQCLSA-N 1 0 292.360 2.822 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCCCCCC2)cc1 ZINC000776271158 628125174 /nfs/dbraw/zinc/12/51/74/628125174.db2.gz IFMYTQSASQOCBL-OAHLLOKOSA-N 1 0 278.352 2.894 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776273941 628125232 /nfs/dbraw/zinc/12/52/32/628125232.db2.gz FLSFAECKGYWHPV-AWEZNQCLSA-N 1 0 264.325 2.503 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000776578669 628160703 /nfs/dbraw/zinc/16/07/03/628160703.db2.gz HMBDZHKFHSCDFL-OAHLLOKOSA-N 1 0 290.363 2.749 20 5 CFBDRO CC1(C)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583010 628161458 /nfs/dbraw/zinc/16/14/58/628161458.db2.gz YLBDSEOLUGMPIB-CYBMUJFWSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776591257 628162104 /nfs/dbraw/zinc/16/21/04/628162104.db2.gz IKQBBZKGMVVVOZ-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC3(CC3)CC2)cc1 ZINC000776602531 628164157 /nfs/dbraw/zinc/16/41/57/628164157.db2.gz USQDVUGXIMRTHE-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000780575579 628478762 /nfs/dbraw/zinc/47/87/62/628478762.db2.gz DOPPSCFJYTUNSL-CMPLNLGQSA-N 1 0 292.335 2.644 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000780575580 628478942 /nfs/dbraw/zinc/47/89/42/628478942.db2.gz DOPPSCFJYTUNSL-JQWIXIFHSA-N 1 0 292.335 2.644 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000781981953 628594745 /nfs/dbraw/zinc/59/47/45/628594745.db2.gz LZMMMDPLUJRYOK-GDBMZVCRSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000783563518 628720797 /nfs/dbraw/zinc/72/07/97/628720797.db2.gz XUKREOBTXRXZAO-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccncc2)cc1Cl ZINC000783640863 628729966 /nfs/dbraw/zinc/72/99/66/628729966.db2.gz JQCXINTZMCYGEG-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677119 628733349 /nfs/dbraw/zinc/73/33/49/628733349.db2.gz UCCKBLOKPLMQDW-KXMPLOMGSA-N 1 0 284.743 2.665 20 5 CFBDRO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000785605814 628897804 /nfs/dbraw/zinc/89/78/04/628897804.db2.gz GYULKTBUZYASFL-UHFFFAOYSA-N 1 0 284.381 2.951 20 5 CFBDRO C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788703358 629093670 /nfs/dbraw/zinc/09/36/70/629093670.db2.gz KSQYJPFGQBBLDZ-JTQLQIEISA-N 1 0 281.356 2.643 20 5 CFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000790552123 629247161 /nfs/dbraw/zinc/24/71/61/629247161.db2.gz UMARLWYJPSUESK-IJLUTSLNSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000793321124 629526414 /nfs/dbraw/zinc/52/64/14/629526414.db2.gz GXXGNBXSVGUDIQ-GFCCVEGCSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(C3CCCC3)C2)cc1 ZINC000795552767 629799755 /nfs/dbraw/zinc/79/97/55/629799755.db2.gz KFUHDDVEVDWBMF-MRXNPFEDSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533453 634772798 /nfs/dbraw/zinc/77/27/98/634772798.db2.gz UWVUEALCOSQIJN-DOMZBBRYSA-N 1 0 296.342 2.700 20 5 CFBDRO CC(C)[C@@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000798819642 630242131 /nfs/dbraw/zinc/24/21/31/630242131.db2.gz DHLJCVOGOZMAMC-RISCZKNCSA-N 1 0 294.351 2.785 20 5 CFBDRO CC(C)[C@@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000798819830 630242209 /nfs/dbraw/zinc/24/22/09/630242209.db2.gz KYQOTYYDQVAHEK-RISCZKNCSA-N 1 0 294.351 2.785 20 5 CFBDRO CC[NH+](CC)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804319577 630671463 /nfs/dbraw/zinc/67/14/63/630671463.db2.gz AROMDPRSPXJJCW-UHFFFAOYSA-N 1 0 296.327 2.647 20 5 CFBDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840859071 631243699 /nfs/dbraw/zinc/24/36/99/631243699.db2.gz GXGIDLDRGSCRCU-WCABBAIRSA-N 1 0 281.381 2.722 20 5 CFBDRO O=[N+]([O-])c1cccc(CNc2[nH+]ccn2C2CC2)c1 ZINC000840886957 631252101 /nfs/dbraw/zinc/25/21/01/631252101.db2.gz PCZICJAEYBNLHB-UHFFFAOYSA-N 1 0 258.281 2.738 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718362 631270500 /nfs/dbraw/zinc/27/05/00/631270500.db2.gz SZSQJLXDSALPFZ-VIFPVBQESA-N 1 0 272.732 2.715 20 5 CFBDRO [NH3+]CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000809736349 631273773 /nfs/dbraw/zinc/27/37/73/631273773.db2.gz QCHVURVJTBSAAR-UHFFFAOYSA-N 1 0 289.310 2.699 20 5 CFBDRO CN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809738300 631275502 /nfs/dbraw/zinc/27/55/02/631275502.db2.gz WRRFIGQOEPYFGZ-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+]2CCC1CC2 ZINC000809743144 631275936 /nfs/dbraw/zinc/27/59/36/631275936.db2.gz RQKAIRIUKQTESM-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO CCCC[C@@H](C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841028292 631309077 /nfs/dbraw/zinc/30/90/77/631309077.db2.gz AKOHHAIDORKBCB-NSHDSACASA-N 1 0 285.775 2.855 20 5 CFBDRO CN1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841746599 631463258 /nfs/dbraw/zinc/46/32/58/631463258.db2.gz IZRFBZFWFVWQHD-BBRMVZONSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@H]1[C@@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000842167184 631559330 /nfs/dbraw/zinc/55/93/30/631559330.db2.gz SDUHQEMMJANQNJ-BLTAXRJOSA-N 1 0 278.352 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1Cl ZINC000811518740 631575694 /nfs/dbraw/zinc/57/56/94/631575694.db2.gz PNPLAPWVSBVXRO-CYBMUJFWSA-N 1 0 298.770 2.889 20 5 CFBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC000811821881 631628294 /nfs/dbraw/zinc/62/82/94/631628294.db2.gz UEZWBYGCQXPMHU-HUUCEWRRSA-N 1 0 290.363 2.749 20 5 CFBDRO CCc1ccc(-c2nc([C@H](C)C[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000842579271 631668776 /nfs/dbraw/zinc/66/87/76/631668776.db2.gz GQOHCDGCGJBFIJ-SECBINFHSA-N 1 0 290.323 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000842645957 631691445 /nfs/dbraw/zinc/69/14/45/631691445.db2.gz NMBXDOFLELTUGO-FZKGZDJFSA-N 1 0 286.291 2.573 20 5 CFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000812908207 631805987 /nfs/dbraw/zinc/80/59/87/631805987.db2.gz HCQBGHSHIWYYFG-ZDUSSCGKSA-N 1 0 296.367 2.721 20 5 CFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000843054144 631817901 /nfs/dbraw/zinc/81/79/01/631817901.db2.gz ZDSGJIZKGYSYEO-YGRLFVJLSA-N 1 0 297.786 2.807 20 5 CFBDRO CCc1ccc(-c2nc([C@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843150545 631864109 /nfs/dbraw/zinc/86/41/09/631864109.db2.gz UJTQECYPGTYDMZ-GFCCVEGCSA-N 1 0 290.323 2.863 20 5 CFBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238338 631910379 /nfs/dbraw/zinc/91/03/79/631910379.db2.gz PUKYEZSZBSSULH-MRVPVSSYSA-N 1 0 294.311 2.935 20 5 CFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1c(F)cccc1[N+](=O)[O-] ZINC000843360977 631937940 /nfs/dbraw/zinc/93/79/40/631937940.db2.gz NTUKXGFPRCANTL-YOGCLGLASA-N 1 0 293.342 2.578 20 5 CFBDRO C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C[NH+](C)C ZINC000813614530 631941966 /nfs/dbraw/zinc/94/19/66/631941966.db2.gz KFEXMDQJCKOLEN-SECBINFHSA-N 1 0 294.380 2.814 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844374574 632184177 /nfs/dbraw/zinc/18/41/77/632184177.db2.gz IAUNQNZOLXNUEC-GXFFZTMASA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@H](CO)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000844419436 632202885 /nfs/dbraw/zinc/20/28/85/632202885.db2.gz MLOOKZGCIPQFDX-LLVKDONJSA-N 1 0 296.342 2.574 20 5 CFBDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581389 632291975 /nfs/dbraw/zinc/29/19/75/632291975.db2.gz FDBVMMKBWCSJTP-ZJUUUORDSA-N 1 0 283.397 2.969 20 5 CFBDRO Cc1cncc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815598871 632295529 /nfs/dbraw/zinc/29/55/29/632295529.db2.gz FLNNZHXBEULNOD-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625405 632300730 /nfs/dbraw/zinc/30/07/30/632300730.db2.gz CEXJUFVSVBTJOP-HOTUBEGUSA-N 1 0 281.381 2.579 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815628051 632300923 /nfs/dbraw/zinc/30/09/23/632300923.db2.gz PWYRJGQJEDDHAW-RYUDHWBXSA-N 1 0 294.399 2.556 20 5 CFBDRO Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105908974 632435101 /nfs/dbraw/zinc/43/51/01/632435101.db2.gz RKIQVDRBTDGFMO-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660717 632507638 /nfs/dbraw/zinc/50/76/38/632507638.db2.gz MZSCHVWNQZOWOL-GFCCVEGCSA-N 1 0 297.786 2.774 20 5 CFBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000817291039 632596813 /nfs/dbraw/zinc/59/68/13/632596813.db2.gz MEPRXOKNTPQFSY-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846203763 632660136 /nfs/dbraw/zinc/66/01/36/632660136.db2.gz AYHGGBZJFHDHIK-QWRGUYRKSA-N 1 0 293.367 2.643 20 5 CFBDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907493 632728921 /nfs/dbraw/zinc/72/89/21/632728921.db2.gz PORKWSJFAUXDGC-ZIAGYGMSSA-N 1 0 297.786 2.998 20 5 CFBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819112225 632970590 /nfs/dbraw/zinc/97/05/90/632970590.db2.gz BRGAOPAQBJOOSK-MRVWCRGKSA-N 1 0 296.392 2.502 20 5 CFBDRO CCCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819155626 632988843 /nfs/dbraw/zinc/98/88/43/632988843.db2.gz OLWNIJIPCBRFKZ-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO CC(C)C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819185716 633005576 /nfs/dbraw/zinc/00/55/76/633005576.db2.gz LAGIZNPIFVOKGE-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000819280724 633053010 /nfs/dbraw/zinc/05/30/10/633053010.db2.gz LKIGGOCSKWJVMV-BBWFWOEESA-N 1 0 298.342 2.774 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000848507081 633268085 /nfs/dbraw/zinc/26/80/85/633268085.db2.gz UCDKKKFEPDEQGB-CYBMUJFWSA-N 1 0 278.356 2.794 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848524932 633276176 /nfs/dbraw/zinc/27/61/76/633276176.db2.gz IFRQWEFFZRRPNQ-FZMZJTMJSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@@H]([NH2+]Cc1cnc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000848530443 633278999 /nfs/dbraw/zinc/27/89/99/633278999.db2.gz GUDMWRPSGNSRHM-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850389494 633973219 /nfs/dbraw/zinc/97/32/19/633973219.db2.gz YLCFUMJEABWVJJ-STQMWFEESA-N 1 0 296.754 2.641 20 5 CFBDRO COC1CC(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850482776 634012078 /nfs/dbraw/zinc/01/20/78/634012078.db2.gz REGAUWFBRDUQRE-ZBOXLXRLSA-N 1 0 293.367 2.643 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523341 634031327 /nfs/dbraw/zinc/03/13/27/634031327.db2.gz GSEHITSBGDLDKN-BXUZGUMPSA-N 1 0 288.347 2.883 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850535679 634041126 /nfs/dbraw/zinc/04/11/26/634041126.db2.gz ZFBISONQCZDLPP-WZRBSPASSA-N 1 0 293.367 2.785 20 5 CFBDRO CC(C)[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)[NH3+] ZINC000109504841 634069581 /nfs/dbraw/zinc/06/95/81/634069581.db2.gz WIYLMQXFZPVINN-JOYOIKCWSA-N 1 0 290.323 2.732 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000853014450 634875807 /nfs/dbraw/zinc/87/58/07/634875807.db2.gz KWHPFKQLADEJPX-DTORHVGOSA-N 1 0 299.733 2.718 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCC(C)CC2)n1 ZINC000853868065 635139379 /nfs/dbraw/zinc/13/93/79/635139379.db2.gz WPKPVDUMJMBERW-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCCC[C@H]1CO ZINC000157127188 650213791 /nfs/dbraw/zinc/21/37/91/650213791.db2.gz TVZVLCADFDACID-ZDUSSCGKSA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857857489 636035919 /nfs/dbraw/zinc/03/59/19/636035919.db2.gz VAQQIUUBFNHTJM-CYBMUJFWSA-N 1 0 286.335 2.528 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445444 636243175 /nfs/dbraw/zinc/24/31/75/636243175.db2.gz JNEQGTMAALGDSM-NWDGAFQWSA-N 1 0 293.367 2.644 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000047888011 650247470 /nfs/dbraw/zinc/24/74/70/650247470.db2.gz OXHYCIPSZWAVPY-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858781225 636344956 /nfs/dbraw/zinc/34/49/56/636344956.db2.gz QSZIUEJWSMZDFS-CYBMUJFWSA-N 1 0 290.367 2.606 20 5 CFBDRO Cc1c(F)nccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000862276753 637307999 /nfs/dbraw/zinc/30/79/99/637307999.db2.gz CDYITXDFGXXXII-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO CC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000863661258 637733422 /nfs/dbraw/zinc/73/34/22/637733422.db2.gz LIKXXTRFNWCISU-SECBINFHSA-N 1 0 276.296 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc([C@H]3[NH2+]CC[C@H]3O)cc2)cc1 ZINC000863716767 637756845 /nfs/dbraw/zinc/75/68/45/637756845.db2.gz ZOZSSKHJWVONGI-HZPDHXFCSA-N 1 0 284.315 2.657 20 5 CFBDRO C[NH2+]C[C@@H](O)c1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000863719073 637757679 /nfs/dbraw/zinc/75/76/79/637757679.db2.gz WOHRAGSEIZKFRV-MRXNPFEDSA-N 1 0 286.331 2.823 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](SC)C1 ZINC000865734264 638542628 /nfs/dbraw/zinc/54/26/28/638542628.db2.gz QCAQLOUTKGFKNL-AULYBMBSSA-N 1 0 296.392 2.977 20 5 CFBDRO Cc1cc(C)n(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000120727186 638565976 /nfs/dbraw/zinc/56/59/76/638565976.db2.gz WEMNEPHJCGUONC-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839624 638604631 /nfs/dbraw/zinc/60/46/31/638604631.db2.gz PJRMBNQISPPJHK-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO Cc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC000865859081 638620301 /nfs/dbraw/zinc/62/03/01/638620301.db2.gz JYZAZDGRYNFQQW-CABCVRRESA-N 1 0 276.336 2.704 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000865925287 638659939 /nfs/dbraw/zinc/65/99/39/638659939.db2.gz IFEYICKEEQCNBY-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO Cc1ccnc(NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000866148475 638758386 /nfs/dbraw/zinc/75/83/86/638758386.db2.gz DCSWTUNIXFIYJW-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO CC(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866212481 638771914 /nfs/dbraw/zinc/77/19/14/638771914.db2.gz KSWVVENUFGADIZ-SNVBAGLBSA-N 1 0 254.305 2.911 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nccs1 ZINC000866236799 638777033 /nfs/dbraw/zinc/77/70/33/638777033.db2.gz CTXQFEZKWUELPF-VIFPVBQESA-N 1 0 295.339 2.911 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000866239700 638777883 /nfs/dbraw/zinc/77/78/83/638777883.db2.gz WZXGOADUNCQDDE-NWDGAFQWSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCOCC1 ZINC000866250967 638780360 /nfs/dbraw/zinc/78/03/60/638780360.db2.gz HAIDAEKSUBWCGU-NSHDSACASA-N 1 0 296.342 2.681 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866264687 638783997 /nfs/dbraw/zinc/78/39/97/638783997.db2.gz DECIFSQAFQVBIV-ZIBATOQPSA-N 1 0 298.358 2.662 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274541 638786668 /nfs/dbraw/zinc/78/66/68/638786668.db2.gz NUGHCZZBNCQWQQ-BXUZGUMPSA-N 1 0 298.358 2.662 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866309126 638794249 /nfs/dbraw/zinc/79/42/49/638794249.db2.gz LVWXHXVNTMXGBB-QMTHXVAHSA-N 1 0 296.342 2.680 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866361623 638804067 /nfs/dbraw/zinc/80/40/67/638804067.db2.gz QVRFXVPEMBYPJF-MFKMUULPSA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCCO ZINC000866365163 638805276 /nfs/dbraw/zinc/80/52/76/638805276.db2.gz WOWBZZDAKGIBMT-NWDGAFQWSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866404296 638815913 /nfs/dbraw/zinc/81/59/13/638815913.db2.gz VBIOQEADIYWXIU-GHMZBOCLSA-N 1 0 295.408 2.971 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866404298 638815989 /nfs/dbraw/zinc/81/59/89/638815989.db2.gz VBIOQEADIYWXIU-QWRGUYRKSA-N 1 0 295.408 2.971 20 5 CFBDRO O=C(CC[NH+]1CCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000192739501 650590998 /nfs/dbraw/zinc/59/09/98/650590998.db2.gz NIJSLLYXQOSLJU-UHFFFAOYSA-N 1 0 295.314 2.548 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(c3ccccc3)C2)cc1 ZINC000871988195 641544444 /nfs/dbraw/zinc/54/44/44/641544444.db2.gz LVBHQPPSRPSOKN-KRWDZBQOSA-N 1 0 298.342 2.728 20 5 CFBDRO CC[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016351 641548514 /nfs/dbraw/zinc/54/85/14/641548514.db2.gz JFHIEKATPHRQDN-NXEZZACHSA-N 1 0 284.381 2.738 20 5 CFBDRO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872025941 641556498 /nfs/dbraw/zinc/55/64/98/641556498.db2.gz WBBGXIZRNZPQOG-RYUDHWBXSA-N 1 0 295.358 2.726 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026111 641558427 /nfs/dbraw/zinc/55/84/27/641558427.db2.gz AXZLKRISFJOMNA-ZJUUUORDSA-N 1 0 270.304 2.667 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C(C)C ZINC000872035982 641568263 /nfs/dbraw/zinc/56/82/63/641568263.db2.gz RGGDQMHBRLZSAD-MFKMUULPSA-N 1 0 298.408 2.984 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038669 641571559 /nfs/dbraw/zinc/57/15/59/641571559.db2.gz OQVQIAYHISDNLN-VHSXEESVSA-N 1 0 270.304 2.546 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040752 641575276 /nfs/dbraw/zinc/57/52/76/641575276.db2.gz BTQWEKHFECJXSP-WDEREUQCSA-N 1 0 284.331 2.793 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043543 641578078 /nfs/dbraw/zinc/57/80/78/641578078.db2.gz JFHQUHIBPSORQR-NXEZZACHSA-N 1 0 270.304 2.546 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872045327 641580140 /nfs/dbraw/zinc/58/01/40/641580140.db2.gz ZKGHOSNXOGXSAF-VIFPVBQESA-N 1 0 270.304 2.810 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872051068 641584783 /nfs/dbraw/zinc/58/47/83/641584783.db2.gz FODXQXLAIJBXAG-CABZTGNLSA-N 1 0 282.315 2.810 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)CO ZINC000872050854 641584818 /nfs/dbraw/zinc/58/48/18/641584818.db2.gz CXIXOPZBZPWPME-SNVBAGLBSA-N 1 0 298.408 2.986 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052350 641585859 /nfs/dbraw/zinc/58/58/59/641585859.db2.gz CMIORZOMMYMIAZ-MNOVXSKESA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@@H]([NH2+]CCC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872062922 641593938 /nfs/dbraw/zinc/59/39/38/641593938.db2.gz LZEBDKBGULBTLW-SECBINFHSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872063938 641595115 /nfs/dbraw/zinc/59/51/15/641595115.db2.gz ALFVRHHRRXWFPF-CDMKHQONSA-N 1 0 282.315 2.688 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063663 641595725 /nfs/dbraw/zinc/59/57/25/641595725.db2.gz RLCKGALTVUKZPI-CBZSPVTBSA-N 1 0 282.315 2.712 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069062 641600152 /nfs/dbraw/zinc/60/01/52/641600152.db2.gz LNPWCXNAAYVRRY-PWSUYJOCSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+]CCN1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069731 641601251 /nfs/dbraw/zinc/60/12/51/641601251.db2.gz UBOKHLFYFNTZEX-LBPRGKRZSA-N 1 0 293.342 2.646 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072404 641603758 /nfs/dbraw/zinc/60/37/58/641603758.db2.gz FJXYXZZPGHSILN-OPRDCNLKSA-N 1 0 270.304 2.808 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074162 641605665 /nfs/dbraw/zinc/60/56/65/641605665.db2.gz YDSKRWCLCSAAMS-GXFFZTMASA-N 1 0 296.342 2.936 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)O ZINC000872074681 641606087 /nfs/dbraw/zinc/60/60/87/641606087.db2.gz ZULLBPKYVVDJTP-BXKDBHETSA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872074899 641606963 /nfs/dbraw/zinc/60/69/63/641606963.db2.gz JZKCNBFJQWAZSS-WDEREUQCSA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077513 641610627 /nfs/dbraw/zinc/61/06/27/641610627.db2.gz JWXKSCPJBKOTIE-GMTAPVOTSA-N 1 0 282.315 2.952 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078733 641611713 /nfs/dbraw/zinc/61/17/13/641611713.db2.gz IYUMNLMQOXDOEL-XWIASGKRSA-N 1 0 282.315 2.952 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C/C=C/CO ZINC000872086846 641620321 /nfs/dbraw/zinc/62/03/21/641620321.db2.gz YJGKCHPIYYWQKF-HMDXOVGESA-N 1 0 282.365 2.516 20 5 CFBDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089331 641622642 /nfs/dbraw/zinc/62/26/42/641622642.db2.gz XCXKWVJCMAOBBO-UNXYVOJBSA-N 1 0 296.342 2.936 20 5 CFBDRO CC1(C)CO[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000872105232 641636429 /nfs/dbraw/zinc/63/64/29/641636429.db2.gz DSHWNKDPBPHNAR-FZMZJTMJSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129848 641657412 /nfs/dbraw/zinc/65/74/12/641657412.db2.gz ZFPKNYSHQQOMTM-PRULPYPASA-N 1 0 264.325 2.811 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129486 641657595 /nfs/dbraw/zinc/65/75/95/641657595.db2.gz BORMVMGMEXSSMR-UTUOFQBUSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129485 641657736 /nfs/dbraw/zinc/65/77/36/641657736.db2.gz BORMVMGMEXSSMR-TUAOUCFPSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC000872248819 641716589 /nfs/dbraw/zinc/71/65/89/641716589.db2.gz WXIQFZXKEFKZDH-CJNGLKHVSA-N 1 0 290.363 2.964 20 5 CFBDRO Cc1c(C[NH2+][C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC000872264194 641725985 /nfs/dbraw/zinc/72/59/85/641725985.db2.gz PALBMBVAKQSIAP-CABCVRRESA-N 1 0 276.336 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312945 641752376 /nfs/dbraw/zinc/75/23/76/641752376.db2.gz BUQVNEDLRJASOJ-KGLIPLIRSA-N 1 0 280.299 2.535 20 5 CFBDRO C[NH2+]C1(CNc2nc(C)ccc2[N+](=O)[O-])CCCCC1 ZINC000872629915 641881896 /nfs/dbraw/zinc/88/18/96/641881896.db2.gz SWBDCBNZUJPFIA-UHFFFAOYSA-N 1 0 278.356 2.632 20 5 CFBDRO Cc1nn(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000872818144 641946037 /nfs/dbraw/zinc/94/60/37/641946037.db2.gz GZJGSMVCAUKJKR-SNVBAGLBSA-N 1 0 282.388 2.980 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873020043 641986522 /nfs/dbraw/zinc/98/65/22/641986522.db2.gz BZGBSDVIEYDORC-CQSZACIVSA-N 1 0 291.395 2.725 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873029532 641989404 /nfs/dbraw/zinc/98/94/04/641989404.db2.gz JUEABOHPZQOXLY-AWEZNQCLSA-N 1 0 291.395 2.725 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCSC1 ZINC000873064225 642000653 /nfs/dbraw/zinc/00/06/53/642000653.db2.gz RAACVPFTBYXZCT-LLVKDONJSA-N 1 0 266.366 2.807 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000873094452 642012896 /nfs/dbraw/zinc/01/28/96/642012896.db2.gz JEOBMWKUWUQMOH-JOCQHMNTSA-N 1 0 278.352 2.605 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873133108 642023514 /nfs/dbraw/zinc/02/35/14/642023514.db2.gz CSVXBWSGKQLORZ-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000873134760 642024263 /nfs/dbraw/zinc/02/42/63/642024263.db2.gz PVJCFNZXBQEYBM-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000873157448 642040533 /nfs/dbraw/zinc/04/05/33/642040533.db2.gz YSYISEMZHFBAGY-YCPHGPKFSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000873184079 642053677 /nfs/dbraw/zinc/05/36/77/642053677.db2.gz AXGVOSKVNXHWLI-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000085986346 650794063 /nfs/dbraw/zinc/79/40/63/650794063.db2.gz YJCUKDYJEBRPCW-HIFRSBDPSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000876751417 642993782 /nfs/dbraw/zinc/99/37/82/642993782.db2.gz YPAOCOQGXIHKOK-TZMCWYRMSA-N 1 0 292.379 2.947 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCc4ccccc43)C2)c1 ZINC000876905305 643058765 /nfs/dbraw/zinc/05/87/65/643058765.db2.gz SCYZPAOFKNWWAM-SEEARECTSA-N 1 0 298.346 2.772 20 5 CFBDRO C[C@H]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964543 643084521 /nfs/dbraw/zinc/08/45/21/643084521.db2.gz ITKNMQMVOGVHDW-MRFVTOPCSA-N 1 0 292.383 2.911 20 5 CFBDRO CC1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876964311 643084947 /nfs/dbraw/zinc/08/49/47/643084947.db2.gz CTUXUILIKLGFSZ-UHFFFAOYSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000877630989 643414879 /nfs/dbraw/zinc/41/48/79/643414879.db2.gz MBULPJOUPBJDON-BBRMVZONSA-N 1 0 290.363 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000877638583 643423822 /nfs/dbraw/zinc/42/38/22/643423822.db2.gz ZQOFYVHHTPYDRX-UONOGXRCSA-N 1 0 290.363 2.680 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@H]3CC=CCC3)C2)c1 ZINC000877656192 643436508 /nfs/dbraw/zinc/43/65/08/643436508.db2.gz ZYHFECKETOEUMB-HSBZDZAISA-N 1 0 290.367 2.831 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877700789 643463066 /nfs/dbraw/zinc/46/30/66/643463066.db2.gz VNXXCWZKYPBUJU-CZMCAQCFSA-N 1 0 293.348 2.720 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC(n3cccn3)C2)cc1[N+](=O)[O-] ZINC000877730373 643490592 /nfs/dbraw/zinc/49/05/92/643490592.db2.gz YBXOQRHRNJOPNJ-UHFFFAOYSA-N 1 0 286.335 2.593 20 5 CFBDRO CC(C)(O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877751514 643527802 /nfs/dbraw/zinc/52/78/02/643527802.db2.gz CJZHNBWAFZPSRF-UHFFFAOYSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC[C@H]3C=CCC3)C2)c1 ZINC000877805198 643567348 /nfs/dbraw/zinc/56/73/48/643567348.db2.gz INXDMLMUVFODJB-HSBZDZAISA-N 1 0 290.367 2.831 20 5 CFBDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318285 644223355 /nfs/dbraw/zinc/22/33/55/644223355.db2.gz SKGWNGFQCKAUQH-AAEUAGOBSA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319533 644223906 /nfs/dbraw/zinc/22/39/06/644223906.db2.gz WVKOSPILLGKECX-RISCZKNCSA-N 1 0 264.325 2.594 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879555638 644316361 /nfs/dbraw/zinc/31/63/61/644316361.db2.gz AILIJIOMTKVYMT-CMPLNLGQSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879616668 644350490 /nfs/dbraw/zinc/35/04/90/644350490.db2.gz IDQNGAGWRAWAKN-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1F ZINC000879788877 644423923 /nfs/dbraw/zinc/42/39/23/644423923.db2.gz UEZMHWBTTDDTDK-GFCCVEGCSA-N 1 0 290.298 2.555 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccccc1[N+](=O)[O-] ZINC000880093207 644529696 /nfs/dbraw/zinc/52/96/96/644529696.db2.gz POUAPMZCSFBTMP-QJPTWQEYSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000880132060 644542282 /nfs/dbraw/zinc/54/22/82/644542282.db2.gz MZRYENAEDFGYHO-HOTGVXAUSA-N 1 0 289.379 2.572 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880144916 644553384 /nfs/dbraw/zinc/55/33/84/644553384.db2.gz FZSWFVXFBZTLOO-NEPJUHHUSA-N 1 0 278.352 2.749 20 5 CFBDRO [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633630 650943534 /nfs/dbraw/zinc/94/35/34/650943534.db2.gz HBUSQZRURVWESI-LBPRGKRZSA-N 1 0 283.759 2.561 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774309 650963226 /nfs/dbraw/zinc/96/32/26/650963226.db2.gz UCMRCGXHGZFAQV-VIFPVBQESA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1 ZINC000094773231 650963271 /nfs/dbraw/zinc/96/32/71/650963271.db2.gz FWFRUZMFCAQZTI-JTQLQIEISA-N 1 0 275.283 2.980 20 5 CFBDRO CC[C@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000094953994 650966517 /nfs/dbraw/zinc/96/65/17/650966517.db2.gz MYWGVBXHLAMOPY-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252213634 651000623 /nfs/dbraw/zinc/00/06/23/651000623.db2.gz XAZHCHIQDJYTEW-LALPHHSUSA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252191583 650999755 /nfs/dbraw/zinc/99/97/55/650999755.db2.gz RROUQRDLOSBSDY-BXUZGUMPSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[N@@H+]1CC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000882959329 645530243 /nfs/dbraw/zinc/53/02/43/645530243.db2.gz COERUVGGRLEFJT-ZDUSSCGKSA-N 1 0 286.335 2.649 20 5 CFBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000882961055 645531593 /nfs/dbraw/zinc/53/15/93/645531593.db2.gz DCAPTQRXTFJBNQ-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000097602999 651036280 /nfs/dbraw/zinc/03/62/80/651036280.db2.gz FAVYMOKPUVIOLV-ZLDLUXBVSA-N 1 0 278.352 2.797 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000883273934 645715324 /nfs/dbraw/zinc/71/53/24/645715324.db2.gz WFZNDNMPOISHQD-GMTAPVOTSA-N 1 0 282.315 2.810 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000800139956 646153332 /nfs/dbraw/zinc/15/33/32/646153332.db2.gz BNEYAPKDVRNZDJ-UHFFFAOYSA-N 1 0 286.353 2.545 20 5 CFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000884855522 646560175 /nfs/dbraw/zinc/56/01/75/646560175.db2.gz IVTNJEBSYMRZPT-CYBMUJFWSA-N 1 0 298.346 2.705 20 5 CFBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000885967355 646788139 /nfs/dbraw/zinc/78/81/39/646788139.db2.gz MRJPCXBVGULWOU-NSHDSACASA-N 1 0 251.330 2.856 20 5 CFBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]1c1ccccn1 ZINC000886035770 646833180 /nfs/dbraw/zinc/83/31/80/646833180.db2.gz QNVYIWYPDNOSNG-AWEZNQCLSA-N 1 0 284.319 2.722 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+](CC1CC1)CC1CC1 ZINC000886066895 646851614 /nfs/dbraw/zinc/85/16/14/646851614.db2.gz DXABDJYABLEPTG-UHFFFAOYSA-N 1 0 261.325 2.612 20 5 CFBDRO CC[C@@H](CSC)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886105129 646874505 /nfs/dbraw/zinc/87/45/05/646874505.db2.gz SNXYZRQGOGGNMN-NSHDSACASA-N 1 0 269.370 2.563 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000886109463 646876159 /nfs/dbraw/zinc/87/61/59/646876159.db2.gz LCEYPHNIEBIDFL-NJZAAPMLSA-N 1 0 276.336 2.672 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886133875 646888459 /nfs/dbraw/zinc/88/84/59/646888459.db2.gz CZUNODJYDGRYPA-NSHDSACASA-N 1 0 263.341 2.858 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886140564 646891828 /nfs/dbraw/zinc/89/18/28/646891828.db2.gz KHJQTLRNQFKJMU-NQBHXWOUSA-N 1 0 263.341 2.904 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140893 646891971 /nfs/dbraw/zinc/89/19/71/646891971.db2.gz RYZJPGNBVWWZLA-WZRBSPASSA-N 1 0 263.341 2.904 20 5 CFBDRO COCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000886168716 646904956 /nfs/dbraw/zinc/90/49/56/646904956.db2.gz XOSWJOLFYOZZFZ-OCCSQVGLSA-N 1 0 293.367 2.627 20 5 CFBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC000886213750 646923699 /nfs/dbraw/zinc/92/36/99/646923699.db2.gz ZWGPKGXWBOVXQD-UHFFFAOYSA-N 1 0 251.330 2.858 20 5 CFBDRO CSC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886215108 646923894 /nfs/dbraw/zinc/92/38/94/646923894.db2.gz DKSBWVTUDLGKLN-LLVKDONJSA-N 1 0 281.381 2.565 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000886280419 646949951 /nfs/dbraw/zinc/94/99/51/646949951.db2.gz DQZOBVBNSVVYIF-LLVKDONJSA-N 1 0 267.304 2.561 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000886543137 647040178 /nfs/dbraw/zinc/04/01/78/647040178.db2.gz LDOQEKRKIXPUPY-OAHLLOKOSA-N 1 0 288.351 2.815 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886555499 647045185 /nfs/dbraw/zinc/04/51/85/647045185.db2.gz UUWCIDHJRRKKMD-WCFLWFBJSA-N 1 0 278.377 2.951 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818618 647151185 /nfs/dbraw/zinc/15/11/85/647151185.db2.gz HLKFLFXGNRDCAA-UKRRQHHQSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cs1 ZINC000886832043 647155403 /nfs/dbraw/zinc/15/54/03/647155403.db2.gz ABCLUBPUNFWRQY-NEPJUHHUSA-N 1 0 282.365 2.657 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865123 647163749 /nfs/dbraw/zinc/16/37/49/647163749.db2.gz AOZNQLTZQKSKFH-MRXNPFEDSA-N 1 0 289.379 2.560 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000300328763 647322253 /nfs/dbraw/zinc/32/22/53/647322253.db2.gz UVEGAGRVLCDDFO-JMSVASOKSA-N 1 0 278.352 2.654 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000300619259 647345211 /nfs/dbraw/zinc/34/52/11/647345211.db2.gz ASGNMMRTOACMPK-STQMWFEESA-N 1 0 282.315 2.637 20 5 CFBDRO Cc1c(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000887731973 647402087 /nfs/dbraw/zinc/40/20/87/647402087.db2.gz BEJGJBURFRDBJE-JQWIXIFHSA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CO1 ZINC000925312237 648155277 /nfs/dbraw/zinc/15/52/77/648155277.db2.gz ZJDBKMHUAKBKFA-ZOODHJKOSA-N 1 0 276.336 2.642 20 5 CFBDRO C[C@@H]1NCCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571429 648222444 /nfs/dbraw/zinc/22/24/44/648222444.db2.gz HSZCDYXJKKCLLL-XJKSGUPXSA-N 1 0 291.395 2.648 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000925640492 648256754 /nfs/dbraw/zinc/25/67/54/648256754.db2.gz IFGBHFGGBYOZPH-LLVKDONJSA-N 1 0 287.319 2.589 20 5 CFBDRO CC[C@H]1COC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000926833673 648630961 /nfs/dbraw/zinc/63/09/61/648630961.db2.gz AZJNOOLSQAHSSW-GMXVVIOVSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)[N@H+](CCOC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000929338063 649033811 /nfs/dbraw/zinc/03/38/11/649033811.db2.gz OXIQHNAXOJYDLU-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000929820305 649129901 /nfs/dbraw/zinc/12/99/01/649129901.db2.gz HNPTUXXVLWARMI-CVEARBPZSA-N 1 0 292.379 2.631 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000929881915 649143974 /nfs/dbraw/zinc/14/39/74/649143974.db2.gz IFIKSYWCDKSISW-ZDUSSCGKSA-N 1 0 273.336 2.624 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000930206178 649206361 /nfs/dbraw/zinc/20/63/61/649206361.db2.gz LATVBCWPUBREEF-AWEZNQCLSA-N 1 0 266.316 2.923 20 5 CFBDRO CC(=O)NCCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208802 649207192 /nfs/dbraw/zinc/20/71/92/649207192.db2.gz WZRFYTMPYCWIGA-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000930211470 649207397 /nfs/dbraw/zinc/20/73/97/649207397.db2.gz OZBJEPDLPCKJRR-SECBINFHSA-N 1 0 292.257 2.555 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000930353017 649236800 /nfs/dbraw/zinc/23/68/00/649236800.db2.gz DLOIKRAGADOEDM-QDMKHBRRSA-N 1 0 260.337 2.674 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000930449844 649250038 /nfs/dbraw/zinc/25/00/38/649250038.db2.gz GLQSWSIIENYTPQ-ZNMIVQPWSA-N 1 0 260.337 2.531 20 5 CFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931039742 649369833 /nfs/dbraw/zinc/36/98/33/649369833.db2.gz SXUOXBHPVCMLJX-GWCFXTLKSA-N 1 0 297.786 2.773 20 5 CFBDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931555992 649453663 /nfs/dbraw/zinc/45/36/63/649453663.db2.gz YXAXFJGDGLRAPR-LBPRGKRZSA-N 1 0 266.316 2.670 20 5 CFBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932169278 649557730 /nfs/dbraw/zinc/55/77/30/649557730.db2.gz PPHYJCDEJLAYEW-CYBMUJFWSA-N 1 0 293.367 2.769 20 5 CFBDRO CCCCOC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932184118 649560336 /nfs/dbraw/zinc/56/03/36/649560336.db2.gz ZEYDZGCRDBZOQA-GFCCVEGCSA-N 1 0 294.351 2.979 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000934109527 649750383 /nfs/dbraw/zinc/75/03/83/649750383.db2.gz AOLAUQDVVWCXSR-OCCSQVGLSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934231356 649764565 /nfs/dbraw/zinc/76/45/65/649764565.db2.gz QKKCHXJSIVQTFP-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO C[C@H]1CSCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000934301380 649770456 /nfs/dbraw/zinc/77/04/56/649770456.db2.gz FVMPSCZFEGYUDK-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000934336904 649776478 /nfs/dbraw/zinc/77/64/78/649776478.db2.gz HOUQWCFZRDIJHE-CQDKDKBSSA-N 1 0 276.336 2.503 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc2ccccc21 ZINC000934629349 649807006 /nfs/dbraw/zinc/80/70/06/649807006.db2.gz DMYMZJFKJGHVHC-LLVKDONJSA-N 1 0 274.320 2.776 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934676281 649814369 /nfs/dbraw/zinc/81/43/69/649814369.db2.gz KMBGPQGQGXIAPK-UHFFFAOYSA-N 1 0 272.345 2.965 20 5 CFBDRO COC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000721910606 777696537 /nfs/dbraw/zinc/69/65/37/777696537.db2.gz HGEKSSOSDORCHW-CQSZACIVSA-N 1 0 280.368 2.646 20 5 CFBDRO C[N+](C)(C)CCCO[C@@H](c1cccnc1)C(F)(F)F ZINC001224624820 778605484 /nfs/dbraw/zinc/60/54/84/778605484.db2.gz ZSAMAQZMWNLJRX-LBPRGKRZSA-N 1 0 277.310 2.798 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1-n1ccc2cc(C[NH3+])cnc21 ZINC001167311695 770268418 /nfs/dbraw/zinc/26/84/18/770268418.db2.gz YIPFKJDGCYSTJK-UHFFFAOYSA-N 1 0 282.303 2.701 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000723990882 770735028 /nfs/dbraw/zinc/73/50/28/770735028.db2.gz VPTNVPTZXZXMMM-ZFWWWQNUSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2CC=CC2)cc1 ZINC000724203842 770812798 /nfs/dbraw/zinc/81/27/98/770812798.db2.gz XSTKGYDUPNUPQP-HNNXBMFYSA-N 1 0 276.336 2.574 20 5 CFBDRO Cc1cc(Cl)c(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167600288 770966298 /nfs/dbraw/zinc/96/62/98/770966298.db2.gz PHJDRERZPQZUJZ-UHFFFAOYSA-N 1 0 265.700 2.806 20 5 CFBDRO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000724674057 773240586 /nfs/dbraw/zinc/24/05/86/773240586.db2.gz LURMXNDRWFKCQW-SECBINFHSA-N 1 0 274.324 2.786 20 5 CFBDRO CCOC(=O)[C@H](O[C@@H](C)C[N+](C)(C)C)c1ccccc1F ZINC001224152902 775112900 /nfs/dbraw/zinc/11/29/00/775112900.db2.gz FAXBSZYJRYZGDE-SWLSCSKDSA-N 1 0 298.378 2.541 20 5 CFBDRO CC[N@@H+]1CCC[C@H](OCc2ncc(C)c([N+](=O)[O-])c2C)C1 ZINC001224185987 775122384 /nfs/dbraw/zinc/12/23/84/775122384.db2.gz VLVMEEUYFQAUPC-ZDUSSCGKSA-N 1 0 293.367 2.608 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCCOc1ccc2c(c1)CCC2 ZINC001224305963 775150736 /nfs/dbraw/zinc/15/07/36/775150736.db2.gz ZMYVGOHAVBLOJQ-AWEZNQCLSA-N 1 0 278.416 2.665 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224330094 775159319 /nfs/dbraw/zinc/15/93/19/775159319.db2.gz CHDQXMFOOKAYTI-HNNXBMFYSA-N 1 0 278.352 2.637 20 5 CFBDRO COc1ccccc1CCCO[C@H](C)C[N+](C)(C)C ZINC001224412711 775177224 /nfs/dbraw/zinc/17/72/24/775177224.db2.gz QXLFQRWYNITORD-CQSZACIVSA-N 1 0 266.405 2.739 20 5 CFBDRO COc1ccccc1CCCO[C@@H](C)C[N+](C)(C)C ZINC001224412710 775177773 /nfs/dbraw/zinc/17/77/73/775177773.db2.gz QXLFQRWYNITORD-AWEZNQCLSA-N 1 0 266.405 2.739 20 5 CFBDRO C[N+](C)(C)CCCO[C@H]1CCCN(c2ccccc2)C1 ZINC001224620684 775228590 /nfs/dbraw/zinc/22/85/90/775228590.db2.gz ADTXQDMNNSBXJA-KRWDZBQOSA-N 1 0 277.432 2.768 20 5 CFBDRO COc1cccc([C@@H](C)OCCC[N+](C)(C)C)c1 ZINC001224623088 775229440 /nfs/dbraw/zinc/22/94/40/775229440.db2.gz KZZBPKVCKZRNGN-CYBMUJFWSA-N 1 0 252.378 2.869 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000693919468 775249469 /nfs/dbraw/zinc/24/94/69/775249469.db2.gz OXOUTJHDUBHSAK-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[NH+](CC)C[C@H](C)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001224777522 775271757 /nfs/dbraw/zinc/27/17/57/775271757.db2.gz YXAGOMXCWMVSDW-ZDUSSCGKSA-N 1 0 296.367 2.721 20 5 CFBDRO C[C@H](COCc1ccccc1)CO[C@@H](C)C[N+](C)(C)C ZINC001225004347 775332120 /nfs/dbraw/zinc/33/21/20/775332120.db2.gz PQGKHRYPACODSL-CVEARBPZSA-N 1 0 280.432 2.951 20 5 CFBDRO C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001217887932 775351928 /nfs/dbraw/zinc/35/19/28/775351928.db2.gz LIZHINPTGJHDJI-VXGBXAGGSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)nc1 ZINC001225505317 775484982 /nfs/dbraw/zinc/48/49/82/775484982.db2.gz QEXUIWVSUHFDEC-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225578638 775508985 /nfs/dbraw/zinc/50/89/85/775508985.db2.gz OPYAVPDBIPTMEQ-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1OC1CC[NH+](C2CC2)CC1 ZINC001225578779 775509765 /nfs/dbraw/zinc/50/97/65/775509765.db2.gz PUTBFWIMSDRGGX-UHFFFAOYSA-N 1 0 280.299 2.740 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(F)ccc1[N+](=O)[O-] ZINC001225579840 775509959 /nfs/dbraw/zinc/50/99/59/775509959.db2.gz VMEUAEVOEQLATQ-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001225613101 775523161 /nfs/dbraw/zinc/52/31/61/775523161.db2.gz MYQVNAIXVNEMJZ-PTEHBNRSSA-N 1 0 292.335 2.607 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218319449 775555605 /nfs/dbraw/zinc/55/56/05/775555605.db2.gz UEGJTIYRCAUCDC-SCZZXKLOSA-N 1 0 288.706 2.635 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(OC2CN(C(C)(C)C)C2)c1 ZINC001225681942 775557339 /nfs/dbraw/zinc/55/73/39/775557339.db2.gz HNFWQSRHTGKDNC-UHFFFAOYSA-N 1 0 264.325 2.765 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225796551 775595851 /nfs/dbraw/zinc/59/58/51/775595851.db2.gz LXMKZPWRHZSRHE-XYPYZODXSA-N 1 0 282.315 2.986 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795041 775596122 /nfs/dbraw/zinc/59/61/22/775596122.db2.gz ANRPCAGTPQVYAU-JTQLQIEISA-N 1 0 268.288 2.597 20 5 CFBDRO C[C@@H]1CC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC001218396529 775627511 /nfs/dbraw/zinc/62/75/11/775627511.db2.gz CSGXOJZSGIAGIM-KCJUWKMLSA-N 1 0 270.716 2.768 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225942618 775642354 /nfs/dbraw/zinc/64/23/54/775642354.db2.gz RRZAQKXMUPPQQB-GFCCVEGCSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(=O)c1cc(F)cc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001225955598 775646509 /nfs/dbraw/zinc/64/65/09/775646509.db2.gz FSXLLLKPGQBVIM-VIFPVBQESA-N 1 0 272.315 2.641 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218474454 775679348 /nfs/dbraw/zinc/67/93/48/775679348.db2.gz GMXSJRQMWAQIES-LBPRGKRZSA-N 1 0 264.325 2.813 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226129725 775710290 /nfs/dbraw/zinc/71/02/90/775710290.db2.gz GHEIDYZYUKYDMF-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226130423 775710638 /nfs/dbraw/zinc/71/06/38/775710638.db2.gz MXYGXYFGIPEJNM-JTQLQIEISA-N 1 0 285.731 2.506 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226364843 775790279 /nfs/dbraw/zinc/79/02/79/775790279.db2.gz UFPQCJGQEGRHFL-SECBINFHSA-N 1 0 285.731 2.505 20 5 CFBDRO Cc1cc(C(F)(F)F)ncc1O[C@@H](C)C[N+](C)(C)C ZINC001226405544 775807351 /nfs/dbraw/zinc/80/73/51/775807351.db2.gz KETDAWFUSHPMLK-JTQLQIEISA-N 1 0 277.310 2.882 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2o1 ZINC001226462645 775833409 /nfs/dbraw/zinc/83/34/09/775833409.db2.gz SVHFDQBEDWXACH-VIFPVBQESA-N 1 0 269.752 2.955 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC001226530926 775862171 /nfs/dbraw/zinc/86/21/71/775862171.db2.gz IJAPBQNDAJFAGX-CYBMUJFWSA-N 1 0 292.335 2.661 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001226531804 775862940 /nfs/dbraw/zinc/86/29/40/775862940.db2.gz NNFQEYFQAQNBDR-CYBMUJFWSA-N 1 0 292.335 2.659 20 5 CFBDRO COc1ccc2nc(O[C@@H](C)C[N+](C)(C)C)sc2c1 ZINC001226645058 775902621 /nfs/dbraw/zinc/90/26/21/775902621.db2.gz JESCTDDTZRRJGS-JTQLQIEISA-N 1 0 281.401 2.778 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1OC1CCN(CCF)CC1 ZINC001226970203 776038612 /nfs/dbraw/zinc/03/86/12/776038612.db2.gz VTFVWSBPNBMGBX-UHFFFAOYSA-N 1 0 282.315 2.716 20 5 CFBDRO COC(=O)c1cccc(Cl)c1O[C@H](C)C[N+](C)(C)C ZINC001226980046 776044557 /nfs/dbraw/zinc/04/45/57/776044557.db2.gz CRVUJIKPPCCEHL-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO CC(=O)c1cc(C)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227087932 776089487 /nfs/dbraw/zinc/08/94/87/776089487.db2.gz WFQXSXSGIMBOLR-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO CCOc1cc(C)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227202257 776134685 /nfs/dbraw/zinc/13/46/85/776134685.db2.gz IAOMCXHOOXGECZ-ZDUSSCGKSA-N 1 0 252.378 2.867 20 5 CFBDRO CC[NH+]1CCC(Oc2nc3c(cccc3[N+](=O)[O-])o2)CC1 ZINC001227238694 776152216 /nfs/dbraw/zinc/15/22/16/776152216.db2.gz QBZJWCAGIWHYQX-UHFFFAOYSA-N 1 0 291.307 2.599 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C2 ZINC001227521601 776218419 /nfs/dbraw/zinc/21/84/19/776218419.db2.gz SRWSGTDYJUAHLQ-IMRBUKKESA-N 1 0 262.309 2.599 20 5 CFBDRO CCOc1cc(F)c(O[C@@H](C)C[N+](C)(C)C)c(F)c1 ZINC001227849543 776308077 /nfs/dbraw/zinc/30/80/77/776308077.db2.gz AZGDHEKZJNIQFO-JTQLQIEISA-N 1 0 274.331 2.837 20 5 CFBDRO Cc1c(C[NH2+]CC2SCCS2)cccc1[N+](=O)[O-] ZINC000692833765 776361964 /nfs/dbraw/zinc/36/19/64/776361964.db2.gz OZMXUEJLRNXXJD-UHFFFAOYSA-N 1 0 284.406 2.799 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018165 776366125 /nfs/dbraw/zinc/36/61/25/776366125.db2.gz WIKYWRRLFPCXIN-VIFPVBQESA-N 1 0 285.731 2.505 20 5 CFBDRO Cc1cc(C)c(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001228238893 776431801 /nfs/dbraw/zinc/43/18/01/776431801.db2.gz YJUDEWBSCIVENP-GFCCVEGCSA-N 1 0 267.349 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228257439 776435942 /nfs/dbraw/zinc/43/59/42/776435942.db2.gz IMKDQMAKGXHAOU-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO CC(C)COC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001228398185 776480485 /nfs/dbraw/zinc/48/04/85/776480485.db2.gz MOEYDVMEESTEFR-AWEZNQCLSA-N 1 0 294.415 2.973 20 5 CFBDRO CCN1CC[C@@H](Oc2c(C(C)=O)cc(C)cc2[N+](=O)[O-])C1 ZINC001228451871 776495461 /nfs/dbraw/zinc/49/54/61/776495461.db2.gz DMBSHTZAZSBOJR-GFCCVEGCSA-N 1 0 292.335 2.579 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228609937 776538605 /nfs/dbraw/zinc/53/86/05/776538605.db2.gz JIZJZAJMXFOYRU-SNVBAGLBSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2ccsc2c1 ZINC001228901750 776651760 /nfs/dbraw/zinc/65/17/60/776651760.db2.gz LQMNCDOWAZHSIC-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930371 776660892 /nfs/dbraw/zinc/66/08/92/776660892.db2.gz LCSOUBNDTYOSDG-QMMMGPOBSA-N 1 0 290.241 2.697 20 5 CFBDRO C[C@H](C[N+](C)(C)C)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223427758 776666694 /nfs/dbraw/zinc/66/66/94/776666694.db2.gz UOWFXXQPVXZVFH-VXGBXAGGSA-N 1 0 267.349 2.767 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000402051684 776784167 /nfs/dbraw/zinc/78/41/67/776784167.db2.gz PRIUDSGPBAJDQO-KCJUWKMLSA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000402051687 776784410 /nfs/dbraw/zinc/78/44/10/776784410.db2.gz PRIUDSGPBAJDQO-LDYMZIIASA-N 1 0 270.716 2.515 20 5 CFBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)nc2ccccc21 ZINC001229440671 776813360 /nfs/dbraw/zinc/81/33/60/776813360.db2.gz BFJCZRPJUVVVOU-GFCCVEGCSA-N 1 0 275.372 2.717 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000402069328 776828945 /nfs/dbraw/zinc/82/89/45/776828945.db2.gz YKQZPMZOJPNVAL-KWQFWETISA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000402069327 776829590 /nfs/dbraw/zinc/82/95/90/776829590.db2.gz YKQZPMZOJPNVAL-KCJUWKMLSA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1cc(O)c(C)c(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001229771596 776891043 /nfs/dbraw/zinc/89/10/43/776891043.db2.gz KOSYTTFCZRYTMW-NSHDSACASA-O 1 0 252.378 2.791 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CN(C(C)C)C1 ZINC001229881977 776909164 /nfs/dbraw/zinc/90/91/64/776909164.db2.gz JKHSVNBCBSGBTM-UHFFFAOYSA-N 1 0 264.325 2.683 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H](C)C[NH+](C)C ZINC001229881741 776909732 /nfs/dbraw/zinc/90/97/32/776909732.db2.gz HOWRBUXETMCLHL-SECBINFHSA-N 1 0 252.314 2.541 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001229894883 776912472 /nfs/dbraw/zinc/91/24/72/776912472.db2.gz LSKFBKDMSGPWRD-JTQLQIEISA-N 1 0 271.312 2.516 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])nc1Cl)C2 ZINC001229915383 776917103 /nfs/dbraw/zinc/91/71/03/776917103.db2.gz OLYRVFJDHBVFRY-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225384050 776980698 /nfs/dbraw/zinc/98/06/98/776980698.db2.gz KECDXKOURJJRSH-GFCCVEGCSA-N 1 0 282.315 2.986 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC001204952415 776991063 /nfs/dbraw/zinc/99/10/63/776991063.db2.gz ANTAFINPCLAVMA-RYUDHWBXSA-N 1 0 294.351 2.508 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622050 777028473 /nfs/dbraw/zinc/02/84/73/777028473.db2.gz GGKACJHLZKYBEQ-GFCCVEGCSA-N 1 0 272.304 2.831 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC1CC[NH+](C)CC1 ZINC001230723299 777050870 /nfs/dbraw/zinc/05/08/70/777050870.db2.gz HJTZOKYCQJTWJK-UHFFFAOYSA-N 1 0 264.325 2.685 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1OC ZINC001225613853 777089130 /nfs/dbraw/zinc/08/91/30/777089130.db2.gz WOLCUAXBRHPZKH-LLVKDONJSA-N 1 0 282.340 2.713 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCCC2=O ZINC001225640180 777116815 /nfs/dbraw/zinc/11/68/15/777116815.db2.gz ZZVQFZWEEMTIPX-GFCCVEGCSA-N 1 0 262.373 2.679 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)c2ccncc2)cc1 ZINC001231026338 777118791 /nfs/dbraw/zinc/11/87/91/777118791.db2.gz VMCXAWHGPJALRZ-AWEZNQCLSA-N 1 0 299.394 2.786 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)nc(C(F)(F)F)c1 ZINC001233559904 777992050 /nfs/dbraw/zinc/99/20/50/777992050.db2.gz RXRJLPNWJMLIJN-JTQLQIEISA-N 1 0 277.310 2.882 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ncc(F)cc21 ZINC001233637094 778019804 /nfs/dbraw/zinc/01/98/04/778019804.db2.gz SAZLSCIAXDGWRG-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ncco2)cc1 ZINC001233737969 778059997 /nfs/dbraw/zinc/05/99/97/778059997.db2.gz YWFPONJDZXMJBS-GFCCVEGCSA-N 1 0 261.345 2.815 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233765535 778069683 /nfs/dbraw/zinc/06/96/83/778069683.db2.gz XHRPDNGWXQSYHW-UHFFFAOYSA-N 1 0 286.278 2.736 20 5 CFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccnc([N+](=O)[O-])c1)C2 ZINC001233858051 778097257 /nfs/dbraw/zinc/09/72/57/778097257.db2.gz RGOCKGYCNCIOFI-IMRBUKKESA-N 1 0 291.351 2.772 20 5 CFBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000721873156 778249979 /nfs/dbraw/zinc/24/99/79/778249979.db2.gz WBHJLNLEEMFNQV-NSHDSACASA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168230558 778260974 /nfs/dbraw/zinc/26/09/74/778260974.db2.gz DDDLXVCSPSWMRS-YJLKIPLNSA-N 1 0 299.733 2.699 20 5 CFBDRO CCc1cccc(O[C@@H](C)C[N+](C)(C)C)c1OC ZINC001234647657 778274730 /nfs/dbraw/zinc/27/47/30/778274730.db2.gz VSOBQUHZFNLWHZ-LBPRGKRZSA-N 1 0 252.378 2.731 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234674039 778285096 /nfs/dbraw/zinc/28/50/96/778285096.db2.gz HLGHMGSEERSDMG-LLVKDONJSA-N 1 0 287.319 2.616 20 5 CFBDRO Cc1nccc([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001234900859 778325437 /nfs/dbraw/zinc/32/54/37/778325437.db2.gz LYUPEVHCVYEFHJ-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CCOc1nccc(O[C@H](C)C[N+](C)(C)C)c1Cl ZINC001234952070 778339439 /nfs/dbraw/zinc/33/94/39/778339439.db2.gz LKCNYNNLXQDZID-SNVBAGLBSA-N 1 0 273.784 2.607 20 5 CFBDRO COC(=O)c1ccc([C@@H](C)O[C@H](C)C[N+](C)(C)C)cc1 ZINC001223756160 778341253 /nfs/dbraw/zinc/34/12/53/778341253.db2.gz WAUWEHOYNVMIAL-CHWSQXEVSA-N 1 0 280.388 2.646 20 5 CFBDRO CCOc1ccccc1CO[C@H](C)C[N+](C)(C)C ZINC001223898769 778360216 /nfs/dbraw/zinc/36/02/16/778360216.db2.gz GEFBLDIVPHWHDR-CYBMUJFWSA-N 1 0 252.378 2.697 20 5 CFBDRO C[C@H](OC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224019455 778396055 /nfs/dbraw/zinc/39/60/55/778396055.db2.gz HQHNGUUMXDQBRY-NSHDSACASA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H](OC[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224817308 778705921 /nfs/dbraw/zinc/70/59/21/778705921.db2.gz MJNRWJHWAXXKRF-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000699505326 779283569 /nfs/dbraw/zinc/28/35/69/779283569.db2.gz CPGCTIDDLWRSOR-YRGRVCCFSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)cc1F ZINC001229894757 781049534 /nfs/dbraw/zinc/04/95/34/781049534.db2.gz KNXDIDYQDDLLFA-JTQLQIEISA-N 1 0 268.288 2.515 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000704795996 781117411 /nfs/dbraw/zinc/11/74/11/781117411.db2.gz GYKKGLXBNIZSJF-LLVKDONJSA-N 1 0 296.392 2.836 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000711001179 781352498 /nfs/dbraw/zinc/35/24/98/781352498.db2.gz QMPKMJDLQRKBTH-DDTOSNHZSA-N 1 0 264.325 2.670 20 5 CFBDRO C[N@H+](CCCF)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC001119397607 781794403 /nfs/dbraw/zinc/79/44/03/781794403.db2.gz UFHFEKSMKLYLEA-UHFFFAOYSA-N 1 0 292.314 2.707 20 5 CFBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001230471847 781857738 /nfs/dbraw/zinc/85/77/38/781857738.db2.gz SLJYCZHIBGYTMA-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594510463 349435627 /nfs/dbraw/zinc/43/56/27/349435627.db2.gz MBQKAYDSOSFIPA-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO COCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000594513315 349436757 /nfs/dbraw/zinc/43/67/57/349436757.db2.gz XICMJUKONOTJNL-OAHLLOKOSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000594517728 349439276 /nfs/dbraw/zinc/43/92/76/349439276.db2.gz CSTDNZFRERDSSL-NVGVWMPQSA-N 1 0 298.342 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594521846 349440680 /nfs/dbraw/zinc/44/06/80/349440680.db2.gz UWDSEEZYHUYRPR-HZPDHXFCSA-N 1 0 289.379 2.701 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594590781 349453623 /nfs/dbraw/zinc/45/36/23/349453623.db2.gz BEYKDHXKPBXOQB-TXEJJXNPSA-N 1 0 263.341 2.655 20 5 CFBDRO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594591207 349453708 /nfs/dbraw/zinc/45/37/08/349453708.db2.gz HVDVQMOOALEFAL-BJHJDKERSA-N 1 0 263.341 2.655 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000594936002 349517664 /nfs/dbraw/zinc/51/76/64/349517664.db2.gz RPVGSCBHEGKOHG-QJPTWQEYSA-N 1 0 264.325 2.813 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124748498 187152011 /nfs/dbraw/zinc/15/20/11/187152011.db2.gz AZSBELQASQFKKN-VIFPVBQESA-N 1 0 269.732 2.612 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2CCC3)c(F)c1 ZINC000594948882 349525691 /nfs/dbraw/zinc/52/56/91/349525691.db2.gz AWCRBXFXLXXTAB-ZWNOBZJWSA-N 1 0 250.273 2.766 20 5 CFBDRO CC[C@H](COCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594955881 349528348 /nfs/dbraw/zinc/52/83/48/349528348.db2.gz GKKHGLIMJHBHMB-CQSZACIVSA-N 1 0 278.352 2.890 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)C1(CO)CC1 ZINC000594970328 349535758 /nfs/dbraw/zinc/53/57/58/349535758.db2.gz YIGHQTPWUSPGID-FSBNRTBOSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NCc1csc([N+](=O)[O-])c1 ZINC000594978916 349537476 /nfs/dbraw/zinc/53/74/76/349537476.db2.gz CZWXTIGWCBKEON-LBPRGKRZSA-N 1 0 297.424 2.866 20 5 CFBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000594985714 349538664 /nfs/dbraw/zinc/53/86/64/349538664.db2.gz NPVSFIXGYFNZCN-DGCLKSJQSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000594983577 349538689 /nfs/dbraw/zinc/53/86/89/349538689.db2.gz FSRPGPVDUJMFSC-MFKMUULPSA-N 1 0 282.315 2.781 20 5 CFBDRO CCCN1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594992100 349541484 /nfs/dbraw/zinc/54/14/84/349541484.db2.gz OYZIVPKVGWXCCE-KEDPEKRHSA-N 1 0 289.379 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000594985175 349539100 /nfs/dbraw/zinc/53/91/00/349539100.db2.gz TYUPYBIIYXHJBX-PTEHBNRSSA-N 1 0 250.273 2.622 20 5 CFBDRO CCCN1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594992102 349540885 /nfs/dbraw/zinc/54/08/85/349540885.db2.gz OYZIVPKVGWXCCE-ZKKXHLJNSA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@@H](O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595007017 349546142 /nfs/dbraw/zinc/54/61/42/349546142.db2.gz OJGWLVBCSSYPPY-MLGOLLRUSA-N 1 0 286.331 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000125191964 187173873 /nfs/dbraw/zinc/17/38/73/187173873.db2.gz JUOMSDIUMRGLKH-GFCCVEGCSA-N 1 0 284.406 2.533 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000595010835 349548132 /nfs/dbraw/zinc/54/81/32/349548132.db2.gz ZERAKPDZWUYZRF-GARJFASQSA-N 1 0 264.325 2.910 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012511 349549112 /nfs/dbraw/zinc/54/91/12/349549112.db2.gz PIKADVQREKUVKL-NSHDSACASA-N 1 0 282.340 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000595022244 349552890 /nfs/dbraw/zinc/55/28/90/349552890.db2.gz SKYBOZICEXPHDN-NHYWBVRUSA-N 1 0 294.351 2.823 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024682 349554199 /nfs/dbraw/zinc/55/41/99/349554199.db2.gz CJBFCONBQOKUMW-WCQYABFASA-N 1 0 296.367 2.805 20 5 CFBDRO COC1([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000595035701 349558537 /nfs/dbraw/zinc/55/85/37/349558537.db2.gz LEMOYFXTFNVNTR-GFCCVEGCSA-N 1 0 278.352 2.685 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)CCO ZINC000595027132 349555501 /nfs/dbraw/zinc/55/55/01/349555501.db2.gz QCGITGKFCAJFPZ-NSHDSACASA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000595027803 349556035 /nfs/dbraw/zinc/55/60/35/349556035.db2.gz TXENCJLYISWYKV-GRYCIOLGSA-N 1 0 294.351 2.822 20 5 CFBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000594996948 349542924 /nfs/dbraw/zinc/54/29/24/349542924.db2.gz VZPCESMOKRCYFZ-SMYYYNMVSA-N 1 0 286.335 2.692 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000594999835 349543195 /nfs/dbraw/zinc/54/31/95/349543195.db2.gz FRRBHQSTFQSMIP-UHFFFAOYSA-N 1 0 285.413 2.866 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)C1CCC1)CCC2 ZINC000595056627 349568191 /nfs/dbraw/zinc/56/81/91/349568191.db2.gz OIAVSQSOSXIUDR-JKSUJKDBSA-N 1 0 290.363 2.723 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000595039757 349559826 /nfs/dbraw/zinc/55/98/26/349559826.db2.gz CERRCQRAIWGFNG-MNOVXSKESA-N 1 0 296.367 2.804 20 5 CFBDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595087727 349577076 /nfs/dbraw/zinc/57/70/76/349577076.db2.gz COWCOKJGRLRHBX-WCQYABFASA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595088876 349577486 /nfs/dbraw/zinc/57/74/86/349577486.db2.gz FNAUQILPNBTGIK-GLQYFDAESA-N 1 0 290.363 2.857 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000595105349 349583246 /nfs/dbraw/zinc/58/32/46/349583246.db2.gz DRFKSSWATAMDRX-MCIONIFRSA-N 1 0 264.325 2.813 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595070578 349574082 /nfs/dbraw/zinc/57/40/82/349574082.db2.gz WBPZQZOOEJJNIQ-GVXVVHGQSA-N 1 0 294.351 2.822 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595314510 349600660 /nfs/dbraw/zinc/60/06/60/349600660.db2.gz GSBYUFITAYFZKY-UHFFFAOYSA-N 1 0 284.331 2.982 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595330159 349603294 /nfs/dbraw/zinc/60/32/94/349603294.db2.gz KAUFDZDKXSRYCL-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595335995 349604219 /nfs/dbraw/zinc/60/42/19/349604219.db2.gz VVEYIDAYUWDNTL-AOOOYVTPSA-N 1 0 252.289 2.822 20 5 CFBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000595294568 349594100 /nfs/dbraw/zinc/59/41/00/349594100.db2.gz PNQGFRDBQCDZIE-JTQLQIEISA-N 1 0 255.318 2.758 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000595348300 349608573 /nfs/dbraw/zinc/60/85/73/349608573.db2.gz QTQQYPPQMMQPSR-SMDDNHRTSA-N 1 0 295.358 2.648 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428050 349623108 /nfs/dbraw/zinc/62/31/08/349623108.db2.gz ZIFBASAHSANOEJ-IINYFYTJSA-N 1 0 279.340 2.903 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000595432581 349625037 /nfs/dbraw/zinc/62/50/37/349625037.db2.gz SGMILXUPNDTDPB-PWSUYJOCSA-N 1 0 282.315 2.639 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCCCC2(C)C)c1[N+](=O)[O-] ZINC000595438786 349626659 /nfs/dbraw/zinc/62/66/59/349626659.db2.gz BLIUXFNQYIFLHU-LLVKDONJSA-N 1 0 267.329 2.950 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595439075 349626749 /nfs/dbraw/zinc/62/67/49/349626749.db2.gz DGGIUEPOMJKHLI-FXPVBKGRSA-N 1 0 267.329 2.806 20 5 CFBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])CC1([NH+](C)C)CCC1 ZINC000595449955 349629505 /nfs/dbraw/zinc/62/95/05/349629505.db2.gz MXRHYQKFQFNNLK-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595521994 349650146 /nfs/dbraw/zinc/65/01/46/349650146.db2.gz HLBQFYNHMIMGAK-YGRLFVJLSA-N 1 0 282.315 2.591 20 5 CFBDRO Cc1noc(C[N@@H+](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000595494405 349641844 /nfs/dbraw/zinc/64/18/44/349641844.db2.gz BHXJNECLXSFDDI-UHFFFAOYSA-N 1 0 289.282 2.901 20 5 CFBDRO Cc1c(C[NH2+]C2(CCO)CCCC2)cccc1[N+](=O)[O-] ZINC000595508071 349645552 /nfs/dbraw/zinc/64/55/52/349645552.db2.gz GEMVOTZNCKHSSY-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595558713 349658914 /nfs/dbraw/zinc/65/89/14/349658914.db2.gz PNFKPLSALGSLBY-ZWNOBZJWSA-N 1 0 284.331 2.621 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000421367875 529447125 /nfs/dbraw/zinc/44/71/25/529447125.db2.gz AGSPRIBJOYNMQY-ZIAGYGMSSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536769 349654159 /nfs/dbraw/zinc/65/41/59/349654159.db2.gz VHJUYSQSJCNPED-ZDUSSCGKSA-N 1 0 277.368 2.511 20 5 CFBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000125708521 187197281 /nfs/dbraw/zinc/19/72/81/187197281.db2.gz PEKAUNKIEWYRFU-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@@]1(C2CC2)CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000595619018 349678684 /nfs/dbraw/zinc/67/86/84/349678684.db2.gz YHCHBCREXBRFGD-ZDUSSCGKSA-N 1 0 282.365 2.657 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670152 349694934 /nfs/dbraw/zinc/69/49/34/349694934.db2.gz AGDBEWCOWWZNSY-CZUORRHYSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595690098 349702108 /nfs/dbraw/zinc/70/21/08/349702108.db2.gz UMZJDNHRBNBYHN-GASCZTMLSA-N 1 0 294.326 2.592 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000126008698 187210676 /nfs/dbraw/zinc/21/06/76/187210676.db2.gz FOIWZAUNJGAJOK-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752096 349722336 /nfs/dbraw/zinc/72/23/36/349722336.db2.gz SDSQWSZASAWDCX-LRDDRELGSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595701182 349709519 /nfs/dbraw/zinc/70/95/19/349709519.db2.gz RAVDKSSEIXLWGK-TZMCWYRMSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595703507 349710202 /nfs/dbraw/zinc/71/02/02/349710202.db2.gz SXSHECXXOZKTHR-ABAIWWIYSA-N 1 0 296.342 2.717 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326504 346909967 /nfs/dbraw/zinc/90/99/67/346909967.db2.gz WZSMJNKXQKUFSM-JSGCOSHPSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756876 349725599 /nfs/dbraw/zinc/72/55/99/349725599.db2.gz HCPZQKALWOXYNU-FZMZJTMJSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779510 349730884 /nfs/dbraw/zinc/73/08/84/349730884.db2.gz BGZYRACFPXYDNE-NEPJUHHUSA-N 1 0 264.325 2.594 20 5 CFBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1cccc([N+](=O)[O-])c1 ZINC000595902944 349765358 /nfs/dbraw/zinc/76/53/58/349765358.db2.gz JLCVXNPDYXELJY-MRXNPFEDSA-N 1 0 297.358 2.875 20 5 CFBDRO COc1cc(NC[C@@H](C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596074585 349788414 /nfs/dbraw/zinc/78/84/14/349788414.db2.gz HWJDZGXSMPBYKM-MRVPVSSYSA-N 1 0 287.747 2.619 20 5 CFBDRO O=[N+]([O-])c1cccc(OCc2cccc3c2CC[NH2+]C3)c1 ZINC000596069985 349786036 /nfs/dbraw/zinc/78/60/36/349786036.db2.gz MBMNBWRULYZRQD-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCc1cccc2c1CC[NH2+]C2 ZINC000596069918 349786238 /nfs/dbraw/zinc/78/62/38/349786238.db2.gz JWZFRNLMJWEXNW-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596092459 349792660 /nfs/dbraw/zinc/79/26/60/349792660.db2.gz WCWHSSVIGFNPDP-SECBINFHSA-N 1 0 267.354 2.613 20 5 CFBDRO Cc1cc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596104629 349795651 /nfs/dbraw/zinc/79/56/51/349795651.db2.gz JOEJAQCCCAMTJS-UHFFFAOYSA-N 1 0 283.397 2.932 20 5 CFBDRO COc1cc(NC[C@H]2CC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596112251 349797112 /nfs/dbraw/zinc/79/71/12/349797112.db2.gz LDMLHPXFEOVFHL-SECBINFHSA-N 1 0 299.758 2.620 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596118771 349799040 /nfs/dbraw/zinc/79/90/40/349799040.db2.gz FFKGSIPINUMJCE-SNVBAGLBSA-N 1 0 269.370 2.718 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126569723 187248831 /nfs/dbraw/zinc/24/88/31/187248831.db2.gz ZKKPUDZWIDDVLL-DDQSDDEPSA-N 1 0 288.347 2.596 20 5 CFBDRO COc1cc(SCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596155894 349811961 /nfs/dbraw/zinc/81/19/61/349811961.db2.gz KJZTYDWFZIFXBH-UHFFFAOYSA-N 1 0 290.772 2.911 20 5 CFBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000072870460 346944768 /nfs/dbraw/zinc/94/47/68/346944768.db2.gz KDWYBHOOEHFFSZ-VXGBXAGGSA-N 1 0 291.351 2.511 20 5 CFBDRO C[NH2+]C(C)(C)CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000596175673 349817827 /nfs/dbraw/zinc/81/78/27/349817827.db2.gz VDDKUSPTOKHLEQ-UHFFFAOYSA-N 1 0 287.747 2.667 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413120788 529794168 /nfs/dbraw/zinc/79/41/68/529794168.db2.gz SBQUSOLWRGZGGE-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596209092 349827893 /nfs/dbraw/zinc/82/78/93/349827893.db2.gz PKTGFEANFUGHGF-JTQLQIEISA-N 1 0 298.774 2.564 20 5 CFBDRO C[NH+]1CCC2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000596238172 349836333 /nfs/dbraw/zinc/83/63/33/349836333.db2.gz KRBSIVCWMDOEIX-UHFFFAOYSA-N 1 0 293.342 2.656 20 5 CFBDRO Cc1cnc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309310 349858914 /nfs/dbraw/zinc/85/89/14/349858914.db2.gz YJINQEJFCYRJLD-GFCCVEGCSA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596308857 349859258 /nfs/dbraw/zinc/85/92/58/349859258.db2.gz WYMGUIWWQGOMAG-NSHDSACASA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273173246 192065740 /nfs/dbraw/zinc/06/57/40/192065740.db2.gz WGRUWVKGCRWZPV-CVEARBPZSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccnc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596337143 349869170 /nfs/dbraw/zinc/86/91/70/349869170.db2.gz UVYSOUMEHRREBQ-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO C[N@H+](CCCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000413348988 529884208 /nfs/dbraw/zinc/88/42/08/529884208.db2.gz QBQWSAOJQMSPJJ-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@H](CCNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000596428730 349900595 /nfs/dbraw/zinc/90/05/95/349900595.db2.gz HNONSMAIQOXCKX-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cc(NCC[C@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596431847 349901049 /nfs/dbraw/zinc/90/10/49/349901049.db2.gz NUAQGEAGQZCFKL-JTQLQIEISA-N 1 0 269.320 2.794 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000413431011 530060904 /nfs/dbraw/zinc/06/09/04/530060904.db2.gz AHNNHWVJFFDGLX-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000128260803 187359700 /nfs/dbraw/zinc/35/97/00/187359700.db2.gz SKNOIDOAGOUNNA-ZIAGYGMSSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000031582586 346295339 /nfs/dbraw/zinc/29/53/39/346295339.db2.gz MZKKOFGHNUUGTP-UHFFFAOYSA-N 1 0 293.367 2.560 20 5 CFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000037061469 346326531 /nfs/dbraw/zinc/32/65/31/346326531.db2.gz HDJOOBADKGVPIP-NSHDSACASA-N 1 0 263.341 2.737 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC1([NH+](C)C)CCC1 ZINC000189009493 232457973 /nfs/dbraw/zinc/45/79/73/232457973.db2.gz WYKMSBLZWLKRGF-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000156 346337121 /nfs/dbraw/zinc/33/71/21/346337121.db2.gz ADEDHLPMQMLCFK-HOCLYGCPSA-N 1 0 289.379 2.559 20 5 CFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000048023029 346464880 /nfs/dbraw/zinc/46/48/80/346464880.db2.gz MMSWXUXXBBXGNK-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO C[NH2+]C[C@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596654986 349969414 /nfs/dbraw/zinc/96/94/14/349969414.db2.gz OYXBYAVAFZROHF-SUMWQHHRSA-N 1 0 299.374 2.882 20 5 CFBDRO Cc1c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cccc1[N+](=O)[O-] ZINC000051854313 346507405 /nfs/dbraw/zinc/50/74/05/346507405.db2.gz NDLCLFUAJSSNIK-ZDUSSCGKSA-N 1 0 290.363 2.904 20 5 CFBDRO C[NH2+]C[C@@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596654984 349969358 /nfs/dbraw/zinc/96/93/58/349969358.db2.gz OYXBYAVAFZROHF-DYVFJYSZSA-N 1 0 299.374 2.882 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000058581393 346646810 /nfs/dbraw/zinc/64/68/10/346646810.db2.gz TWOWKRAXQQDZFX-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO CC1CC[NH+](CCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000060375252 346664479 /nfs/dbraw/zinc/66/44/79/346664479.db2.gz LCYRWCGZLKXZLU-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000060452647 346666339 /nfs/dbraw/zinc/66/63/39/346666339.db2.gz RFVJUOJBKOOQGS-CYBMUJFWSA-N 1 0 291.351 2.694 20 5 CFBDRO CCC1(O)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075859263 347103413 /nfs/dbraw/zinc/10/34/13/347103413.db2.gz MSCVFICSFSWFCF-GFCCVEGCSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCCC[C@H]1C ZINC000076744665 347151220 /nfs/dbraw/zinc/15/12/20/347151220.db2.gz VCVMYVBXAYTRJQ-NEPJUHHUSA-N 1 0 278.356 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000085963109 179204619 /nfs/dbraw/zinc/20/46/19/179204619.db2.gz WVJAUFRSQTZWPT-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078559658 347261922 /nfs/dbraw/zinc/26/19/22/347261922.db2.gz YIIPPGWGAXUIED-GFCCVEGCSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[NH+]1CCC(CCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078669195 347268969 /nfs/dbraw/zinc/26/89/69/347268969.db2.gz KUZGXTDDNBWUOF-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000085988250 179212875 /nfs/dbraw/zinc/21/28/75/179212875.db2.gz GXDPQGNRJFUTJA-RISCZKNCSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc(NC2CC[NH+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000080597546 347368941 /nfs/dbraw/zinc/36/89/41/347368941.db2.gz WSKJHBSCWMYEBM-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[NH+](CC)CCSc1nccc(C)c1[N+](=O)[O-] ZINC000081006113 347396025 /nfs/dbraw/zinc/39/60/25/347396025.db2.gz ISXJDLMEJQCFOJ-UHFFFAOYSA-N 1 0 269.370 2.732 20 5 CFBDRO Cc1ccnc(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000085688186 347482186 /nfs/dbraw/zinc/48/21/86/347482186.db2.gz RCNXNKYTFZTJNB-LLVKDONJSA-N 1 0 280.372 2.686 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726475 347508504 /nfs/dbraw/zinc/50/85/04/347508504.db2.gz WVAJVUVPLFUNRV-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000089581026 347521694 /nfs/dbraw/zinc/52/16/94/347521694.db2.gz CLGGVPGNTDWWDX-OAHLLOKOSA-N 1 0 278.352 2.998 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000090909980 347561447 /nfs/dbraw/zinc/56/14/47/347561447.db2.gz QCQGEHKFNAPPSB-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000090909981 347561888 /nfs/dbraw/zinc/56/18/88/347561888.db2.gz QCQGEHKFNAPPSB-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000091484281 347590695 /nfs/dbraw/zinc/59/06/95/347590695.db2.gz OKHPIOWYHBZYJW-RISCZKNCSA-N 1 0 263.341 2.514 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000094659412 347696430 /nfs/dbraw/zinc/69/64/30/347696430.db2.gz WVZVBJUSDDUOTI-GFCCVEGCSA-N 1 0 275.352 2.799 20 5 CFBDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119482497 347802397 /nfs/dbraw/zinc/80/23/97/347802397.db2.gz BDDCAQPZCLEZTH-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO CC[C@H](COC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000120201094 347805838 /nfs/dbraw/zinc/80/58/38/347805838.db2.gz ZZSBWEKFWNKZPN-STMXVASLSA-N 1 0 264.325 2.623 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121330642 347811406 /nfs/dbraw/zinc/81/14/06/347811406.db2.gz QNJLKIGYEMDTST-BZPMIXESSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000086626251 179312697 /nfs/dbraw/zinc/31/26/97/179312697.db2.gz YBCUAAHAKHHUIY-SMDDNHRTSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000153741985 347974403 /nfs/dbraw/zinc/97/44/03/347974403.db2.gz SZUBGQSIPWHMOV-LLVKDONJSA-N 1 0 296.758 2.539 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000158664810 348007978 /nfs/dbraw/zinc/00/79/78/348007978.db2.gz JPJHBOGYOPAHPM-NSHDSACASA-N 1 0 261.325 2.552 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000159281308 348011275 /nfs/dbraw/zinc/01/12/75/348011275.db2.gz MWYFYBAGNLVZBZ-LBPRGKRZSA-N 1 0 280.372 2.912 20 5 CFBDRO C[C@@H]1CSCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000172594160 348100053 /nfs/dbraw/zinc/10/00/53/348100053.db2.gz BGNLHMDWNTWBKH-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cccc1[N+](=O)[O-] ZINC000268959256 348328848 /nfs/dbraw/zinc/32/88/48/348328848.db2.gz XFDQIFZWEBCVAV-MDHDOXDCSA-N 1 0 276.336 2.874 20 5 CFBDRO Cc1cccc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000279775902 348340526 /nfs/dbraw/zinc/34/05/26/348340526.db2.gz AREQOWGFZWPQGA-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000286116613 348346561 /nfs/dbraw/zinc/34/65/61/348346561.db2.gz NIAQXTVFGHPYCI-VIFPVBQESA-N 1 0 294.742 2.865 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000305113916 348380699 /nfs/dbraw/zinc/38/06/99/348380699.db2.gz HDSXCQDHXFWDPU-GFCCVEGCSA-N 1 0 278.352 2.859 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000305850066 348382606 /nfs/dbraw/zinc/38/26/06/348382606.db2.gz UQEXRALXYDOHME-ABAIWWIYSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000311603706 348413977 /nfs/dbraw/zinc/41/39/77/348413977.db2.gz OSKNNDVAZOLEQE-MRVPVSSYSA-N 1 0 284.747 2.538 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000413052492 233011950 /nfs/dbraw/zinc/01/19/50/233011950.db2.gz HSHZLAKIKWEKQE-GHMZBOCLSA-N 1 0 296.346 2.804 20 5 CFBDRO CSC1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000584805712 348717854 /nfs/dbraw/zinc/71/78/54/348717854.db2.gz DZHVBIBBCZFDDU-UHFFFAOYSA-N 1 0 278.377 2.849 20 5 CFBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586779983 348751248 /nfs/dbraw/zinc/75/12/48/348751248.db2.gz RZEOZABMDPQJOW-GZMMTYOYSA-N 1 0 293.348 2.577 20 5 CFBDRO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC1CC1 ZINC000589500088 348836070 /nfs/dbraw/zinc/83/60/70/348836070.db2.gz RTEWLSRPYCNWEL-UHFFFAOYSA-N 1 0 292.335 2.613 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000589571642 348838905 /nfs/dbraw/zinc/83/89/05/348838905.db2.gz BIUFLUOZPIXIMB-SECBINFHSA-N 1 0 257.359 2.799 20 5 CFBDRO Cc1cccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000589584235 348839661 /nfs/dbraw/zinc/83/96/61/348839661.db2.gz LAWSBIQZFOANQY-RYUDHWBXSA-N 1 0 275.352 2.940 20 5 CFBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590778038 348947902 /nfs/dbraw/zinc/94/79/02/348947902.db2.gz WTOKGBJZLINPCG-NSHDSACASA-N 1 0 293.367 2.948 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000590646033 348920431 /nfs/dbraw/zinc/92/04/31/348920431.db2.gz ODEFISQESXTGNW-GXTWGEPZSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000591266011 349005455 /nfs/dbraw/zinc/00/54/55/349005455.db2.gz JPUFEUZSZCZSKX-WCBMZHEXSA-N 1 0 286.278 2.737 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1 ZINC000591275637 349006478 /nfs/dbraw/zinc/00/64/78/349006478.db2.gz NSLQQEMVQUVTBG-HIFRSBDPSA-N 1 0 291.395 2.648 20 5 CFBDRO CC[C@@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578060 349031889 /nfs/dbraw/zinc/03/18/89/349031889.db2.gz RMQICNLSZWJXNQ-UKRRQHHQSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582965 349032596 /nfs/dbraw/zinc/03/25/96/349032596.db2.gz VUZOYELROQJBSY-OCCSQVGLSA-N 1 0 289.379 2.920 20 5 CFBDRO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591582963 349032624 /nfs/dbraw/zinc/03/26/24/349032624.db2.gz VUZOYELROQJBSY-GXTWGEPZSA-N 1 0 289.379 2.920 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)c(Cc2ccccc2)c1 ZINC000592158938 349093555 /nfs/dbraw/zinc/09/35/55/349093555.db2.gz NFTRPDYZLDPVRF-UHFFFAOYSA-N 1 0 298.342 2.784 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592372837 349111248 /nfs/dbraw/zinc/11/12/48/349111248.db2.gz UTMYDDBHGCRCJK-SECBINFHSA-N 1 0 288.294 2.984 20 5 CFBDRO CCCC[C@@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000592375425 349112137 /nfs/dbraw/zinc/11/21/37/349112137.db2.gz RSWAJKQECYCDSS-LBPRGKRZSA-N 1 0 272.370 2.687 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000592437304 349119576 /nfs/dbraw/zinc/11/95/76/349119576.db2.gz GBHAMNLCJOQHLB-OAHLLOKOSA-N 1 0 289.379 2.668 20 5 CFBDRO CCCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592521266 349132580 /nfs/dbraw/zinc/13/25/80/349132580.db2.gz ZDXSQAPHQSKFHW-HNNXBMFYSA-N 1 0 277.368 2.511 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CCO ZINC000593110740 349211172 /nfs/dbraw/zinc/21/11/72/349211172.db2.gz ZVFWPWAUAJCENS-LBPRGKRZSA-N 1 0 296.367 2.585 20 5 CFBDRO Cc1ccc(C[NH+]2CCC(C3(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000593648069 349304036 /nfs/dbraw/zinc/30/40/36/349304036.db2.gz RKDWMHFMNKBHCV-UHFFFAOYSA-N 1 0 290.363 2.640 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)CCO ZINC000593693821 349310459 /nfs/dbraw/zinc/31/04/59/349310459.db2.gz FHIACMHWICFYNY-SUIFULHWSA-N 1 0 278.352 2.701 20 5 CFBDRO CCn1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594498292 349431036 /nfs/dbraw/zinc/43/10/36/349431036.db2.gz JYJRRTMWRSCVSG-AWEZNQCLSA-N 1 0 286.335 2.588 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000597070457 350023856 /nfs/dbraw/zinc/02/38/56/350023856.db2.gz INEQHUYBPRYFOJ-VHDGCEQUSA-N 1 0 260.337 2.916 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000597197371 350052446 /nfs/dbraw/zinc/05/24/46/350052446.db2.gz WRTPVXJYDOSYGJ-IYBDPMFKSA-N 1 0 290.363 2.762 20 5 CFBDRO C[C@@H]1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000597206753 350055220 /nfs/dbraw/zinc/05/52/20/350055220.db2.gz VKJBQAHFRPVTJR-MVTQWGDUSA-N 1 0 290.363 2.557 20 5 CFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000105443344 186058052 /nfs/dbraw/zinc/05/80/52/186058052.db2.gz UPFSTOKFJVMPHD-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)c(F)c1 ZINC000598647399 350301100 /nfs/dbraw/zinc/30/11/00/350301100.db2.gz LOEKMCPXOCLGIO-SECBINFHSA-N 1 0 274.242 2.869 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000598650019 350302214 /nfs/dbraw/zinc/30/22/14/350302214.db2.gz XCGAJQGHZBTYNG-SNVBAGLBSA-N 1 0 256.252 2.730 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985571 350354191 /nfs/dbraw/zinc/35/41/91/350354191.db2.gz TZUXIFDPJOJBHR-ZDUSSCGKSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC000598987734 350354925 /nfs/dbraw/zinc/35/49/25/350354925.db2.gz VPHMFPRBKMZZAZ-CQSZACIVSA-N 1 0 298.342 2.997 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000598998278 350356835 /nfs/dbraw/zinc/35/68/35/350356835.db2.gz DIISGZOTNLNSGG-INIZCTEOSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000598999487 350357346 /nfs/dbraw/zinc/35/73/46/350357346.db2.gz ODKAMCXMYGSZTE-MRXNPFEDSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1c(N[C@H]2CCCOC2)ccc2cnccc21 ZINC000599039003 350362558 /nfs/dbraw/zinc/36/25/58/350362558.db2.gz FXVABOMOBWUZPV-NSHDSACASA-N 1 0 273.292 2.734 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000599042516 350363854 /nfs/dbraw/zinc/36/38/54/350363854.db2.gz SZXANRVKXXZGFR-WFASDCNBSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](Nc1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000599045540 350364580 /nfs/dbraw/zinc/36/45/80/350364580.db2.gz YBBRPDOKYXGXRB-VIFPVBQESA-N 1 0 269.370 2.799 20 5 CFBDRO C[C@@H](O)C[C@@H](C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599046750 350365067 /nfs/dbraw/zinc/36/50/67/350365067.db2.gz MKGSYVYCHSSXCU-GHMZBOCLSA-N 1 0 289.335 2.962 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599068364 350369928 /nfs/dbraw/zinc/36/99/28/350369928.db2.gz NYWAUVFPOYMKOA-DOMZBBRYSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071824 350370812 /nfs/dbraw/zinc/37/08/12/350370812.db2.gz UKTBSNGFTDWCMY-KBPBESRZSA-N 1 0 291.395 2.977 20 5 CFBDRO CCC[C@@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599078719 350371967 /nfs/dbraw/zinc/37/19/67/350371967.db2.gz ADQOOYZQZQBGPI-CQSZACIVSA-N 1 0 264.325 2.672 20 5 CFBDRO C/C=C\C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599081403 350372648 /nfs/dbraw/zinc/37/26/48/350372648.db2.gz KJOLINRANGEYJB-LWTINBJPSA-N 1 0 250.298 2.830 20 5 CFBDRO COc1cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626089 350467134 /nfs/dbraw/zinc/46/71/34/350467134.db2.gz TVAKGXYMLQIKNZ-VEABSNGSSA-N 1 0 294.351 2.505 20 5 CFBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600707514 350598147 /nfs/dbraw/zinc/59/81/47/350598147.db2.gz HWJIUACTQKDTEE-BXUZGUMPSA-N 1 0 275.352 2.530 20 5 CFBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709673 350599348 /nfs/dbraw/zinc/59/93/48/350599348.db2.gz PKNRTKSMACNYDX-BXUZGUMPSA-N 1 0 275.352 2.530 20 5 CFBDRO C[NH2+][C@@H](CO)c1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000600792520 350613673 /nfs/dbraw/zinc/61/36/73/350613673.db2.gz ZDNFYXLRCKUCGU-HNNXBMFYSA-N 1 0 286.331 2.823 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000601139982 350680036 /nfs/dbraw/zinc/68/00/36/350680036.db2.gz ONBLLXIJJQLKAT-NSHDSACASA-N 1 0 286.759 2.889 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000601173852 350688776 /nfs/dbraw/zinc/68/87/76/350688776.db2.gz KIZRXWLBOXAUCA-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCn2nccc21 ZINC000601173641 350688990 /nfs/dbraw/zinc/68/89/90/350688990.db2.gz FVZSFLGRTSPSNQ-BOTMBNHJSA-N 1 0 298.346 2.929 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)F ZINC000601287593 350717860 /nfs/dbraw/zinc/71/78/60/350717860.db2.gz KPUAFGCILAFTAM-SNVBAGLBSA-N 1 0 297.330 2.650 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000601301130 350719835 /nfs/dbraw/zinc/71/98/35/350719835.db2.gz RRRSRCRWRYWIAL-RNSXUZJQSA-N 1 0 292.257 2.557 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[C@H]1O)CCC2 ZINC000601321761 350723675 /nfs/dbraw/zinc/72/36/75/350723675.db2.gz WYSGDJVWMGHNPD-HRCADAONSA-N 1 0 290.363 2.865 20 5 CFBDRO CC(C)c1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000602020868 350833772 /nfs/dbraw/zinc/83/37/72/350833772.db2.gz ONOKMKLTLVKICW-TZMCWYRMSA-N 1 0 291.395 2.745 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111254795 186379049 /nfs/dbraw/zinc/37/90/49/186379049.db2.gz YCOBZIXLARGLKK-LBPRGKRZSA-N 1 0 293.367 2.536 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000111254399 186379662 /nfs/dbraw/zinc/37/96/62/186379662.db2.gz MWBGMJBKUUINCE-LLVKDONJSA-N 1 0 293.367 2.820 20 5 CFBDRO CC(C)C[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483880 350901945 /nfs/dbraw/zinc/90/19/45/350901945.db2.gz JMQMJBICVFJHQN-LBPRGKRZSA-N 1 0 280.372 2.586 20 5 CFBDRO CCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602505073 350908005 /nfs/dbraw/zinc/90/80/05/350908005.db2.gz PKTHSJMTOLFUBY-UHFFFAOYSA-N 1 0 292.383 2.738 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000602544039 350919243 /nfs/dbraw/zinc/91/92/43/350919243.db2.gz HMMPGPLRCMOYJY-CABZTGNLSA-N 1 0 270.279 2.771 20 5 CFBDRO CSCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602556248 350922718 /nfs/dbraw/zinc/92/27/18/350922718.db2.gz JXQWYTLHIZYPSV-UHFFFAOYSA-N 1 0 295.364 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC=CC3)nc2c1 ZINC000602566723 350926534 /nfs/dbraw/zinc/92/65/34/350926534.db2.gz AWZIOZJTLVAXTI-UHFFFAOYSA-N 1 0 259.265 2.544 20 5 CFBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602580966 350933671 /nfs/dbraw/zinc/93/36/71/350933671.db2.gz RAGSDJKYIIHMFP-OAHLLOKOSA-N 1 0 294.395 2.770 20 5 CFBDRO C[C@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602657177 350963597 /nfs/dbraw/zinc/96/35/97/350963597.db2.gz XKDJCDGYUOWSBY-WCBMZHEXSA-N 1 0 261.281 2.624 20 5 CFBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602657175 350963853 /nfs/dbraw/zinc/96/38/53/350963853.db2.gz XKDJCDGYUOWSBY-SCZZXKLOSA-N 1 0 261.281 2.624 20 5 CFBDRO C[N@H+](CCC[C@H]1CCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000602659741 350964890 /nfs/dbraw/zinc/96/48/90/350964890.db2.gz WDIVHEYLRXCWDV-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO CC/C=C\C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602676835 350973796 /nfs/dbraw/zinc/97/37/96/350973796.db2.gz SEKGVLKYNCLBMI-ARJAWSKDSA-N 1 0 290.367 2.514 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(F)F ZINC000602712490 350994552 /nfs/dbraw/zinc/99/45/52/350994552.db2.gz XWQKBGVXNVBPOV-LBPRGKRZSA-N 1 0 297.261 2.871 20 5 CFBDRO COc1ccc(C[NH+]2CCC(SC)CC2)cc1[N+](=O)[O-] ZINC000602725652 351001544 /nfs/dbraw/zinc/00/15/44/351001544.db2.gz KZUXPQNNZDWVIC-UHFFFAOYSA-N 1 0 296.392 2.931 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC34CCC4)nc2c1 ZINC000602635615 350955698 /nfs/dbraw/zinc/95/56/98/350955698.db2.gz AMWFLJACKWKUSR-ZDUSSCGKSA-N 1 0 286.335 2.893 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1ccccc1 ZINC000602771960 351020666 /nfs/dbraw/zinc/02/06/66/351020666.db2.gz CZDOMBGOMDZPGT-UHFFFAOYSA-N 1 0 288.351 2.625 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1C(C)C ZINC000602778147 351021139 /nfs/dbraw/zinc/02/11/39/351021139.db2.gz FLVLVOWXCUOCGW-CYBMUJFWSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000602777984 351021723 /nfs/dbraw/zinc/02/17/23/351021723.db2.gz AGOFVEDTMYCXTP-RYUDHWBXSA-N 1 0 280.372 2.610 20 5 CFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602796486 351028268 /nfs/dbraw/zinc/02/82/68/351028268.db2.gz AVGHKHFVJIONIO-AWEZNQCLSA-N 1 0 288.351 2.841 20 5 CFBDRO CCC(CC)(CC)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602793708 351028494 /nfs/dbraw/zinc/02/84/94/351028494.db2.gz JGAQBYIONSIETO-UHFFFAOYSA-N 1 0 268.361 2.658 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(SC)CC1 ZINC000602920713 351065693 /nfs/dbraw/zinc/06/56/93/351065693.db2.gz ZOIVAIRUWFRVIU-UHFFFAOYSA-N 1 0 296.392 2.931 20 5 CFBDRO Cc1cccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC000602804355 351031600 /nfs/dbraw/zinc/03/16/00/351031600.db2.gz FVYLFTNJXMAYNM-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C1CCCCC1 ZINC000602803407 351032149 /nfs/dbraw/zinc/03/21/49/351032149.db2.gz YZJBBTZQCYIEOL-NSHDSACASA-N 1 0 280.372 2.658 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000602808712 351033661 /nfs/dbraw/zinc/03/36/61/351033661.db2.gz YXCUGTPNCGBZBY-YUTCNCBUSA-N 1 0 292.383 2.610 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807641 351034015 /nfs/dbraw/zinc/03/40/15/351034015.db2.gz ZJTUMXFSTCMHMU-BNOWGMLFSA-N 1 0 294.399 2.879 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000602838037 351041451 /nfs/dbraw/zinc/04/14/51/351041451.db2.gz RRHXCZJMGRWMIM-OBJOEFQTSA-N 1 0 294.399 2.904 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000271423363 191129624 /nfs/dbraw/zinc/12/96/24/191129624.db2.gz CHQMFMLRUKOTDZ-WCQYABFASA-N 1 0 288.351 2.839 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602881659 351057001 /nfs/dbraw/zinc/05/70/01/351057001.db2.gz RKPMQWMMDDRDOH-OAHLLOKOSA-N 1 0 286.335 2.698 20 5 CFBDRO Cn1cc(C2=CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000602890265 351059747 /nfs/dbraw/zinc/05/97/47/351059747.db2.gz ZTEUQDQBANSWSX-UHFFFAOYSA-N 1 0 298.346 2.618 20 5 CFBDRO CN(CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000603423205 351161799 /nfs/dbraw/zinc/16/17/99/351161799.db2.gz MXDZHKGJEMMAAI-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000603433436 351164029 /nfs/dbraw/zinc/16/40/29/351164029.db2.gz NJTSMIZPZBSKBV-TYNCELHUSA-N 1 0 277.368 2.543 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603859684 351187132 /nfs/dbraw/zinc/18/71/32/351187132.db2.gz RSMKABVWBAOQHI-CHWSQXEVSA-N 1 0 292.383 2.770 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603859908 351187227 /nfs/dbraw/zinc/18/72/27/351187227.db2.gz JATWQMJHUDDSAG-CYBMUJFWSA-N 1 0 292.383 2.914 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000609540589 351506337 /nfs/dbraw/zinc/50/63/37/351506337.db2.gz IXWLARQKSRIDOS-GFCCVEGCSA-N 1 0 266.341 2.952 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000609595613 351510830 /nfs/dbraw/zinc/51/08/30/351510830.db2.gz VXFWZSMTXKTJTN-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609595634 351511090 /nfs/dbraw/zinc/51/10/90/351511090.db2.gz URWOSVFQSOHLQT-UHFFFAOYSA-N 1 0 269.370 2.623 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000610821176 351612547 /nfs/dbraw/zinc/61/25/47/351612547.db2.gz VQYGPQXHUXOKQK-NSHDSACASA-N 1 0 274.324 2.786 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N(C)C ZINC000610810977 351610808 /nfs/dbraw/zinc/61/08/08/351610808.db2.gz HEYIBERWKQUYFA-RYUDHWBXSA-N 1 0 265.357 2.504 20 5 CFBDRO COCC1([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000611178880 351647512 /nfs/dbraw/zinc/64/75/12/351647512.db2.gz RDJHTFAFYIRFEQ-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC2(CCOC2)CC1 ZINC000611177706 351647754 /nfs/dbraw/zinc/64/77/54/351647754.db2.gz XBNYCILPUUNBOY-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO C[NH+](C)C1(CNc2sccc2[N+](=O)[O-])CCCC1 ZINC000611411719 351685026 /nfs/dbraw/zinc/68/50/26/351685026.db2.gz VMFDLTJWKWDPHK-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO CCC[N@H+](CC)CCNc1sccc1[N+](=O)[O-] ZINC000611412663 351686127 /nfs/dbraw/zinc/68/61/27/351686127.db2.gz BLIKPGCQNHITGU-UHFFFAOYSA-N 1 0 257.359 2.800 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000611412823 351686241 /nfs/dbraw/zinc/68/62/41/351686241.db2.gz JAMCUKGNONZRDQ-LLVKDONJSA-N 1 0 281.381 2.578 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000611470265 351694285 /nfs/dbraw/zinc/69/42/85/351694285.db2.gz UCLIZGRSUYVTOH-WDEREUQCSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000611337219 351669765 /nfs/dbraw/zinc/66/97/65/351669765.db2.gz KPEKQODQIABTEV-YRGRVCCFSA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123144457 187073871 /nfs/dbraw/zinc/07/38/71/187073871.db2.gz ZQYOUIVFTDJKQP-TZMCWYRMSA-N 1 0 277.368 2.509 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000122445272 187032842 /nfs/dbraw/zinc/03/28/42/187032842.db2.gz KRVCUQVZFNYOGH-ZDUSSCGKSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000291754105 198080759 /nfs/dbraw/zinc/08/07/59/198080759.db2.gz GBLIJWQREONPLK-SNVBAGLBSA-N 1 0 251.330 2.513 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccn(C)n1 ZINC000612829109 351866085 /nfs/dbraw/zinc/86/60/85/351866085.db2.gz OIYVKGYUMAAGOX-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO COc1ccc(OCC[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000123325724 187084827 /nfs/dbraw/zinc/08/48/27/187084827.db2.gz JYZJZTDWPQYKOR-RYUDHWBXSA-N 1 0 294.351 2.855 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000615491045 352199114 /nfs/dbraw/zinc/19/91/14/352199114.db2.gz MXULQWCTGDBSKZ-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO CCOc1cc(C[N@H+](C)C(C)(C)COC)ccc1[N+](=O)[O-] ZINC000292086631 198158476 /nfs/dbraw/zinc/15/84/76/198158476.db2.gz GHXPZWQMKONHBW-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO COc1cccc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000134913542 187781490 /nfs/dbraw/zinc/78/14/90/187781490.db2.gz YBBARWLNASRXCE-UHFFFAOYSA-N 1 0 279.340 2.501 20 5 CFBDRO CC[C@H]([NH2+]CC(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000135129951 187798197 /nfs/dbraw/zinc/79/81/97/187798197.db2.gz DGFQVPTXZHBAGT-AWEZNQCLSA-N 1 0 293.367 2.504 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCn1ccnc1 ZINC000271627066 191248774 /nfs/dbraw/zinc/24/87/74/191248774.db2.gz GCODGUVITNKKJY-CYBMUJFWSA-N 1 0 288.351 2.874 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(C(F)F)CC2)cc1 ZINC000618967091 352922343 /nfs/dbraw/zinc/92/23/43/352922343.db2.gz FMPRFLMQJUTIQX-UHFFFAOYSA-N 1 0 270.279 2.772 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000619428032 353021578 /nfs/dbraw/zinc/02/15/78/353021578.db2.gz MYSCKTRSISSVDG-ZFWWWQNUSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2CCOCC2)C2CC2)c1 ZINC000153257409 188073230 /nfs/dbraw/zinc/07/32/30/188073230.db2.gz QCQQADMYAWUXPC-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO CCOCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153290507 188074492 /nfs/dbraw/zinc/07/44/92/188074492.db2.gz RDXKWQNRXRZDIM-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO COCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153312947 188076104 /nfs/dbraw/zinc/07/61/04/188076104.db2.gz UCSKKYKMRRIVNG-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO CC1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154265269 188132409 /nfs/dbraw/zinc/13/24/09/188132409.db2.gz OWFIKCBRSTYPMH-CQSZACIVSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000158243996 188365561 /nfs/dbraw/zinc/36/55/61/188365561.db2.gz YQKNTNRWJSPNOF-KBPBESRZSA-N 1 0 296.392 2.504 20 5 CFBDRO CC(C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158700985 188390369 /nfs/dbraw/zinc/39/03/69/188390369.db2.gz VOBWUBBOMYSOKE-UHFFFAOYSA-N 1 0 288.351 2.836 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158660583 188387780 /nfs/dbraw/zinc/38/77/80/188387780.db2.gz KUEKHMYWLVJCRK-HOCLYGCPSA-N 1 0 289.379 2.511 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000271705221 191283205 /nfs/dbraw/zinc/28/32/05/191283205.db2.gz FAMRJWGAKCNPFL-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000271878957 191386795 /nfs/dbraw/zinc/38/67/95/191386795.db2.gz OWWRNZKCEKOUDK-YUELXQCFSA-N 1 0 288.347 2.642 20 5 CFBDRO C[C@H](CCO)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000271871400 191381268 /nfs/dbraw/zinc/38/12/68/191381268.db2.gz XVGYBMFIPUELDR-LLVKDONJSA-N 1 0 298.408 2.935 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174416880 188897844 /nfs/dbraw/zinc/89/78/44/188897844.db2.gz GYCGYYVDALVCSP-JTQLQIEISA-N 1 0 288.307 2.629 20 5 CFBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000174553050 188905232 /nfs/dbraw/zinc/90/52/32/188905232.db2.gz BHUKLXXDULEMPD-VIFPVBQESA-N 1 0 272.370 2.950 20 5 CFBDRO C[C@H]1C[C@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000273008972 192016536 /nfs/dbraw/zinc/01/65/36/192016536.db2.gz BRMBXJQPMCSTQI-WDEREUQCSA-N 1 0 284.381 2.951 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CC ZINC000293684092 198731317 /nfs/dbraw/zinc/73/13/17/198731317.db2.gz NHPISCOXWAVDSI-NEPJUHHUSA-N 1 0 298.408 2.826 20 5 CFBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294677499 199129427 /nfs/dbraw/zinc/12/94/27/199129427.db2.gz BHLCJURONXKDGB-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420277609 236596569 /nfs/dbraw/zinc/59/65/69/236596569.db2.gz INVOGARULGOKDR-RYUDHWBXSA-N 1 0 263.341 2.833 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420290506 236602652 /nfs/dbraw/zinc/60/26/52/236602652.db2.gz UNXRFIJRNLOTTI-GHMZBOCLSA-N 1 0 281.331 2.972 20 5 CFBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421392604 236796326 /nfs/dbraw/zinc/79/63/26/236796326.db2.gz XPTDAHACRCIIIH-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000296479833 199906243 /nfs/dbraw/zinc/90/62/43/199906243.db2.gz OFSOJFAUISSKJY-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916818 237345871 /nfs/dbraw/zinc/34/58/71/237345871.db2.gz BOAUYHSHBGNUTE-SCRDCRAPSA-N 1 0 277.368 2.694 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000297669054 200257523 /nfs/dbraw/zinc/25/75/23/200257523.db2.gz LABNBVKDPWSZLX-AAEUAGOBSA-N 1 0 286.335 2.629 20 5 CFBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000178029868 189087286 /nfs/dbraw/zinc/08/72/86/189087286.db2.gz SSZPDAFDIUIPGO-UHFFFAOYSA-N 1 0 280.372 2.832 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)n1 ZINC000178178620 189095338 /nfs/dbraw/zinc/09/53/38/189095338.db2.gz OCZITVGYOSQKTE-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000178249374 189100312 /nfs/dbraw/zinc/10/03/12/189100312.db2.gz JGCHYEUBKCSVNU-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)COC)cc1[N+](=O)[O-] ZINC000179408521 189192817 /nfs/dbraw/zinc/19/28/17/189192817.db2.gz ZSAFKEFWEHSOSL-VXGBXAGGSA-N 1 0 296.367 2.927 20 5 CFBDRO CC(C)c1ccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000180853417 189279878 /nfs/dbraw/zinc/27/98/78/189279878.db2.gz NKSYDPBXIYPTRB-OCCSQVGLSA-N 1 0 292.379 2.921 20 5 CFBDRO COc1cc(NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301522699 201045209 /nfs/dbraw/zinc/04/52/09/201045209.db2.gz LZBJWPXGDAXPIM-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000424354840 238763794 /nfs/dbraw/zinc/76/37/94/238763794.db2.gz QMOJWJCKAORGHH-XVIXHAIJSA-N 1 0 290.367 2.663 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(O)CCCCC1 ZINC000183457992 189359818 /nfs/dbraw/zinc/35/98/18/189359818.db2.gz OXGIJVNCUNFORB-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1 ZINC000183295169 189353970 /nfs/dbraw/zinc/35/39/70/189353970.db2.gz CGIPJHIPBCESJW-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC000183342572 189355738 /nfs/dbraw/zinc/35/57/38/189355738.db2.gz YEDMJRLHDMVOLB-CHWSQXEVSA-N 1 0 288.351 2.573 20 5 CFBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183342624 189356186 /nfs/dbraw/zinc/35/61/86/189356186.db2.gz YEDMJRLHDMVOLB-STQMWFEESA-N 1 0 288.351 2.573 20 5 CFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301765633 201183546 /nfs/dbraw/zinc/18/35/46/201183546.db2.gz CXGQABZQBSIEPL-CYBMUJFWSA-N 1 0 292.383 2.912 20 5 CFBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000425424769 239056458 /nfs/dbraw/zinc/05/64/58/239056458.db2.gz SRTQJAXASVMDGF-INIZCTEOSA-N 1 0 290.363 2.984 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000301988555 201287996 /nfs/dbraw/zinc/28/79/96/201287996.db2.gz LPKFKKJKCDVSEQ-WFASDCNBSA-N 1 0 277.368 2.761 20 5 CFBDRO C[N@H+](CCNc1sccc1[N+](=O)[O-])C1CCCC1 ZINC000301988423 201289499 /nfs/dbraw/zinc/28/94/99/201289499.db2.gz LKZATNQZNZLPCU-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302013152 201299326 /nfs/dbraw/zinc/29/93/26/201299326.db2.gz ZUIQHKXUORSULR-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1sccc1[N+](=O)[O-] ZINC000302018506 201301498 /nfs/dbraw/zinc/30/14/98/201301498.db2.gz MRYSVPIDVWPJQB-NSHDSACASA-N 1 0 283.397 2.967 20 5 CFBDRO C[C@H](CNc1sccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000302006790 201295396 /nfs/dbraw/zinc/29/53/96/201295396.db2.gz WAXIPIGIWDFVHL-MRVPVSSYSA-N 1 0 255.343 2.551 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426526519 239236222 /nfs/dbraw/zinc/23/62/22/239236222.db2.gz TXBRJPSYSBQSSZ-DOMZBBRYSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1cc(NCC2(C)COC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302171852 201378139 /nfs/dbraw/zinc/37/81/39/201378139.db2.gz MEICWURSBBGXBL-UHFFFAOYSA-N 1 0 287.319 2.900 20 5 CFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429582639 239653879 /nfs/dbraw/zinc/65/38/79/239653879.db2.gz DQEGFPLNNLPQKU-KGLIPLIRSA-N 1 0 291.351 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC1CCOCC1)CC2 ZINC000432815800 240050906 /nfs/dbraw/zinc/05/09/06/240050906.db2.gz KHNHIMSHUVQKSL-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000437996405 240620159 /nfs/dbraw/zinc/62/01/59/240620159.db2.gz BNJYYIDWEMXHFS-TXEJJXNPSA-N 1 0 295.770 2.575 20 5 CFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275851878 193147335 /nfs/dbraw/zinc/14/73/35/193147335.db2.gz LGTJKSQAAHDYJN-AULYBMBSSA-N 1 0 298.770 2.984 20 5 CFBDRO CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000443507917 241068510 /nfs/dbraw/zinc/06/85/10/241068510.db2.gz CFPLDYDFBDSFJB-UHFFFAOYSA-N 1 0 298.412 2.610 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]4CCC[C@@H]43)nc2c1 ZINC000444681840 241167015 /nfs/dbraw/zinc/16/70/15/241167015.db2.gz XEDWRSDGBDAABV-YGRLFVJLSA-N 1 0 286.335 2.846 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)[NH+](C)C ZINC000444830862 241199686 /nfs/dbraw/zinc/19/96/86/241199686.db2.gz WJZDKPSPWVIUKG-VIFPVBQESA-N 1 0 271.748 2.919 20 5 CFBDRO CSCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538562 241381688 /nfs/dbraw/zinc/38/16/88/241381688.db2.gz CAHUAROPIVGARG-VXGBXAGGSA-N 1 0 298.412 2.618 20 5 CFBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000446936796 241341135 /nfs/dbraw/zinc/34/11/35/241341135.db2.gz ADYHRRDETPOTJP-HNNXBMFYSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccc(C[NH2+]CCCCCCO)cc1[N+](=O)[O-] ZINC000224950141 189743228 /nfs/dbraw/zinc/74/32/28/189743228.db2.gz LAXMFGHKZMHKBU-UHFFFAOYSA-N 1 0 266.341 2.546 20 5 CFBDRO Cc1cc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449322329 241845659 /nfs/dbraw/zinc/84/56/59/241845659.db2.gz WZMJZLFFDNULDW-LLVKDONJSA-N 1 0 289.335 2.655 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492089 241971752 /nfs/dbraw/zinc/97/17/52/241971752.db2.gz BFCLWBCHFMXSDO-SWLSCSKDSA-N 1 0 278.352 2.760 20 5 CFBDRO CC/C=C\C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449459644 241948082 /nfs/dbraw/zinc/94/80/82/241948082.db2.gz QRESMUWAWMBEKL-RXNFCKPNSA-N 1 0 291.351 2.868 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000449630654 242077809 /nfs/dbraw/zinc/07/78/09/242077809.db2.gz NNEWVDKKGFUDDP-NHYWBVRUSA-N 1 0 278.352 2.806 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449740901 242128732 /nfs/dbraw/zinc/12/87/32/242128732.db2.gz HZFVOXLWMFKXKY-STQMWFEESA-N 1 0 276.336 2.739 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449756405 242138965 /nfs/dbraw/zinc/13/89/65/242138965.db2.gz BATKRUHIYIVWNF-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000450274379 242334859 /nfs/dbraw/zinc/33/48/59/242334859.db2.gz GVYGYESQIWOBAU-LLVKDONJSA-N 1 0 298.346 2.792 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450281341 242339678 /nfs/dbraw/zinc/33/96/78/242339678.db2.gz CDTQQQQVPBYUGF-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@H](C)C1 ZINC000452058701 243028479 /nfs/dbraw/zinc/02/84/79/243028479.db2.gz ACLNFRPGENVHCT-SDDRHHMPSA-N 1 0 280.372 2.633 20 5 CFBDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000280989498 296120200 /nfs/dbraw/zinc/12/02/00/296120200.db2.gz JPVVPDWMJMOGNQ-GIPWTMENSA-N 1 0 296.392 2.547 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000330607083 203030594 /nfs/dbraw/zinc/03/05/94/203030594.db2.gz JHFNVFPYZQZIJV-ZDUSSCGKSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851237 203312175 /nfs/dbraw/zinc/31/21/75/203312175.db2.gz NOGMSIMIRRSEMC-ZYHUDNBSSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000296618381 296145418 /nfs/dbraw/zinc/14/54/18/296145418.db2.gz WRIHFDQCKXFIAZ-WDEREUQCSA-N 1 0 266.341 2.795 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276260185 193261612 /nfs/dbraw/zinc/26/16/12/193261612.db2.gz AYTUHGYXAVCASG-ZDUSSCGKSA-N 1 0 295.358 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459405463 245168178 /nfs/dbraw/zinc/16/81/78/245168178.db2.gz KHDLTACUCWWTCB-UHFFFAOYSA-N 1 0 298.346 2.595 20 5 CFBDRO Cc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461947832 245373499 /nfs/dbraw/zinc/37/34/99/245373499.db2.gz LGCSPPRARFUUAI-AAEUAGOBSA-N 1 0 281.331 2.937 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000020089619 372227137 /nfs/dbraw/zinc/22/71/37/372227137.db2.gz SVIDMJYMRBGSMR-XGNXJENSSA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@@H](NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020087912 372227285 /nfs/dbraw/zinc/22/72/85/372227285.db2.gz REENILFADMUNTC-GFCCVEGCSA-N 1 0 279.384 2.833 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000035081386 372535574 /nfs/dbraw/zinc/53/55/74/372535574.db2.gz NYPUQHMDUQGKMD-LLVKDONJSA-N 1 0 270.716 2.517 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737150 204939356 /nfs/dbraw/zinc/93/93/56/204939356.db2.gz ZGCLNZRUTOJIHN-CVEARBPZSA-N 1 0 292.379 2.969 20 5 CFBDRO CCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722101 372586997 /nfs/dbraw/zinc/58/69/97/372586997.db2.gz TXDSEBQMRWCLMI-JTQLQIEISA-N 1 0 252.314 2.882 20 5 CFBDRO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000037140923 372654138 /nfs/dbraw/zinc/65/41/38/372654138.db2.gz UBEWGNJONKWHBA-LBPRGKRZSA-N 1 0 289.379 2.872 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000037155110 372656733 /nfs/dbraw/zinc/65/67/33/372656733.db2.gz SFVINVALBFUZMQ-SWLSCSKDSA-N 1 0 288.351 2.921 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000037155114 372657362 /nfs/dbraw/zinc/65/73/62/372657362.db2.gz SFVINVALBFUZMQ-IUODEOHRSA-N 1 0 288.351 2.921 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(O)c2)cc1 ZINC000037668307 372687844 /nfs/dbraw/zinc/68/78/44/372687844.db2.gz PKBKGAJTRRLVOG-UHFFFAOYSA-N 1 0 258.277 2.590 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000040771672 372787040 /nfs/dbraw/zinc/78/70/40/372787040.db2.gz QXMLXARUQISFMJ-CQSZACIVSA-N 1 0 291.395 2.977 20 5 CFBDRO Cc1c(-c2nc(C3([NH3+])CCCC3)no2)cccc1[N+](=O)[O-] ZINC000041152981 372822414 /nfs/dbraw/zinc/82/24/14/372822414.db2.gz GDZCBFHBODGFNL-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000042814753 372958120 /nfs/dbraw/zinc/95/81/20/372958120.db2.gz CQDUGRZTTBPIBI-RYUDHWBXSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000042814927 372958147 /nfs/dbraw/zinc/95/81/47/372958147.db2.gz FBGTTWVFOYBXMY-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000043411901 372989339 /nfs/dbraw/zinc/98/93/39/372989339.db2.gz AGFPARXTBBZTHV-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045657025 373025487 /nfs/dbraw/zinc/02/54/87/373025487.db2.gz ILPUPYHFXRMXLU-PWSUYJOCSA-N 1 0 266.341 2.836 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045656817 373025570 /nfs/dbraw/zinc/02/55/70/373025570.db2.gz HJJQOQRUYNEYLG-FZMZJTMJSA-N 1 0 266.341 2.918 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045656813 373024785 /nfs/dbraw/zinc/02/47/85/373024785.db2.gz HJJQOQRUYNEYLG-RISCZKNCSA-N 1 0 266.341 2.918 20 5 CFBDRO CC(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442608 373297388 /nfs/dbraw/zinc/29/73/88/373297388.db2.gz HOKWWNKCJMUMBW-NSHDSACASA-N 1 0 279.340 2.510 20 5 CFBDRO CCOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963242 373337084 /nfs/dbraw/zinc/33/70/84/373337084.db2.gz VUDBWSKDKDCCQP-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccncc2)c(Cl)c1 ZINC000049963453 373338237 /nfs/dbraw/zinc/33/82/37/373338237.db2.gz FPWNTDRLMUCSDP-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)C2CCCCC2)cc1 ZINC000050106543 373354810 /nfs/dbraw/zinc/35/48/10/373354810.db2.gz SUJCGQXLSOENNV-UHFFFAOYSA-N 1 0 292.379 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000052015322 373430295 /nfs/dbraw/zinc/43/02/95/373430295.db2.gz MAIWJFUJBPEAPS-OLZOCXBDSA-N 1 0 284.743 2.641 20 5 CFBDRO CCC(CC)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000053070327 373463301 /nfs/dbraw/zinc/46/33/01/373463301.db2.gz LIQVSWLXTMTCSH-UHFFFAOYSA-N 1 0 286.759 2.889 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000054127928 373500056 /nfs/dbraw/zinc/50/00/56/373500056.db2.gz SFBNMRWAOBEYBO-UHFFFAOYSA-N 1 0 291.273 2.977 20 5 CFBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000058003192 373622755 /nfs/dbraw/zinc/62/27/55/373622755.db2.gz USIDHUGGWDSBSL-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO CC(C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065961034 373906768 /nfs/dbraw/zinc/90/67/68/373906768.db2.gz MMUCRAMKXVXANC-UHFFFAOYSA-N 1 0 252.314 2.561 20 5 CFBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913497 374042206 /nfs/dbraw/zinc/04/22/06/374042206.db2.gz YYEUFSQFFPKSGW-VIFPVBQESA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913501 374042371 /nfs/dbraw/zinc/04/23/71/374042371.db2.gz YYEUFSQFFPKSGW-SECBINFHSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000071950782 374232156 /nfs/dbraw/zinc/23/21/56/374232156.db2.gz ZYVMTPFDNXVUEC-LLVKDONJSA-N 1 0 264.325 2.704 20 5 CFBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000072751839 374285537 /nfs/dbraw/zinc/28/55/37/374285537.db2.gz LYHYBCUHLIYZKR-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000249097113 189958929 /nfs/dbraw/zinc/95/89/29/189958929.db2.gz OVOFXXMZQZAPDG-RWMBFGLXSA-N 1 0 278.352 2.715 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000076117827 374534479 /nfs/dbraw/zinc/53/44/79/374534479.db2.gz ZWYMPJAFUAEXQB-SNVBAGLBSA-N 1 0 250.298 2.588 20 5 CFBDRO CCOc1cc(C[N@H+](C[C@H](C)O)C(C)C)ccc1[N+](=O)[O-] ZINC000492631983 246349534 /nfs/dbraw/zinc/34/95/34/246349534.db2.gz QZPIPLWMRPRCMP-LBPRGKRZSA-N 1 0 296.367 2.585 20 5 CFBDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000087409354 374819811 /nfs/dbraw/zinc/81/98/11/374819811.db2.gz WHCUCALFOCOZIJ-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000084439958 374775760 /nfs/dbraw/zinc/77/57/60/374775760.db2.gz IOLJRFPYWDBBCX-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359809 375010681 /nfs/dbraw/zinc/01/06/81/375010681.db2.gz BGUMEVQBGMEAMI-CABZTGNLSA-N 1 0 279.296 2.781 20 5 CFBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000090537756 375020342 /nfs/dbraw/zinc/02/03/42/375020342.db2.gz KTPPMTASYMXTEO-HNNXBMFYSA-N 1 0 288.351 2.922 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188748 189985467 /nfs/dbraw/zinc/98/54/67/189985467.db2.gz KCKPRPLUDBIBDB-MBNYWOFBSA-N 1 0 277.368 2.573 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+](C(C)C)C(C)C ZINC000091558035 375054488 /nfs/dbraw/zinc/05/44/88/375054488.db2.gz WKTCMIYEHQJTPS-UHFFFAOYSA-N 1 0 297.403 2.650 20 5 CFBDRO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644133 375281573 /nfs/dbraw/zinc/28/15/73/375281573.db2.gz HDPXGXJRXNUJBQ-UKRRQHHQSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(C)(C)C[NH3+] ZINC000093861196 375322882 /nfs/dbraw/zinc/32/28/82/375322882.db2.gz DIGQZVPCJOGDGO-NSHDSACASA-N 1 0 265.357 2.573 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094942057 375393002 /nfs/dbraw/zinc/39/30/02/375393002.db2.gz FHJOBYWWQUARHH-NEPJUHHUSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000094953991 375397042 /nfs/dbraw/zinc/39/70/42/375397042.db2.gz NRELAGCDHHTSGN-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774147 375377939 /nfs/dbraw/zinc/37/79/39/375377939.db2.gz SRHUTQJZRMMGGE-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000112411621 375917971 /nfs/dbraw/zinc/91/79/71/375917971.db2.gz APXDYKUVEOBMLE-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000116274189 376174975 /nfs/dbraw/zinc/17/49/75/376174975.db2.gz YYITTZZXQSFQKJ-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000120135597 376554461 /nfs/dbraw/zinc/55/44/61/376554461.db2.gz CRCLLFQOKACFNT-RYUDHWBXSA-N 1 0 291.351 2.715 20 5 CFBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900367 376720098 /nfs/dbraw/zinc/72/00/98/376720098.db2.gz YFUBGVMOICRPAW-TZMCWYRMSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC000120862427 376710384 /nfs/dbraw/zinc/71/03/84/376710384.db2.gz QYTKREMYGBMZHV-AWEZNQCLSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000121759572 376900533 /nfs/dbraw/zinc/90/05/33/376900533.db2.gz ARLMGLWONTVUCR-DTWKUNHWSA-N 1 0 297.305 2.910 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124495277 377056183 /nfs/dbraw/zinc/05/61/83/377056183.db2.gz CNMHQLKRCVFVQS-IMJJTQAJSA-N 1 0 290.363 2.720 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130372685 377545444 /nfs/dbraw/zinc/54/54/44/377545444.db2.gz SNZZFNZZFSBPNR-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO COCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130396302 377548937 /nfs/dbraw/zinc/54/89/37/377548937.db2.gz JDHVXVZGRFBJEY-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CCC[C@@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000130786158 377611307 /nfs/dbraw/zinc/61/13/07/377611307.db2.gz VXGXCMZSXBGTTR-CQSZACIVSA-N 1 0 278.352 2.941 20 5 CFBDRO CC[C@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000130795361 377612409 /nfs/dbraw/zinc/61/24/09/377612409.db2.gz MJPUQNFWZYXKCO-ZDUSSCGKSA-N 1 0 264.325 2.551 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131272500 377687205 /nfs/dbraw/zinc/68/72/05/377687205.db2.gz BFRBUKGUESFXLL-TZMCWYRMSA-N 1 0 264.325 2.815 20 5 CFBDRO CCC[C@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131272325 377687627 /nfs/dbraw/zinc/68/76/27/377687627.db2.gz BFRBUKGUESFXLL-OCCSQVGLSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000133504205 377935512 /nfs/dbraw/zinc/93/55/12/377935512.db2.gz QVBCCFYTFRGXFT-RKDXNWHRSA-N 1 0 296.758 2.680 20 5 CFBDRO COc1cccc(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000134917959 378064264 /nfs/dbraw/zinc/06/42/64/378064264.db2.gz ZHGJNFGQQZNEPN-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000149405668 378263811 /nfs/dbraw/zinc/26/38/11/378263811.db2.gz LGUAMCXTKJXXJI-PRHODGIISA-N 1 0 270.716 2.515 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150832483 378273962 /nfs/dbraw/zinc/27/39/62/378273962.db2.gz HHLMNXMAWGQREK-OAHLLOKOSA-N 1 0 289.379 2.513 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCSCCCO)cccc1[N+](=O)[O-] ZINC000151211237 378307082 /nfs/dbraw/zinc/30/70/82/378307082.db2.gz NCGKZQDBKFNBCM-LBPRGKRZSA-N 1 0 298.408 2.669 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151229693 378309151 /nfs/dbraw/zinc/30/91/51/378309151.db2.gz GEPDUHZUQGHXIW-WDEREUQCSA-N 1 0 292.257 2.559 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOCC2CC2)C2CC2)c1 ZINC000153279180 378484455 /nfs/dbraw/zinc/48/44/55/378484455.db2.gz GDNOKZNRLUZKQY-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330382358 378540827 /nfs/dbraw/zinc/54/08/27/378540827.db2.gz IXWLMPBDSDBCHF-UHIISALHSA-N 1 0 291.351 2.700 20 5 CFBDRO CC[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000331089203 378631829 /nfs/dbraw/zinc/63/18/29/378631829.db2.gz UNRTZRYDVKGHOW-DOMZBBRYSA-N 1 0 291.395 2.723 20 5 CFBDRO C[N@H+](CC[C@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000330804255 378597899 /nfs/dbraw/zinc/59/78/99/378597899.db2.gz BMTFYNAXDRQEFT-CQSZACIVSA-N 1 0 278.352 2.986 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000331270799 378660887 /nfs/dbraw/zinc/66/08/87/378660887.db2.gz ATQRGEROYZSITG-GHJWDPDVSA-N 1 0 292.379 2.885 20 5 CFBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331285158 378663770 /nfs/dbraw/zinc/66/37/70/378663770.db2.gz GEYJEYKXTFPWLJ-NWDGAFQWSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000332202918 378735430 /nfs/dbraw/zinc/73/54/30/378735430.db2.gz CVPJBBGKXHBWKF-AWEZNQCLSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332065678 378724046 /nfs/dbraw/zinc/72/40/46/378724046.db2.gz RUULZDQKRWEZKO-CYBMUJFWSA-N 1 0 292.335 2.836 20 5 CFBDRO COc1cc(NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000266188887 190238953 /nfs/dbraw/zinc/23/89/53/190238953.db2.gz XTCLEVLTXCGHKU-UHFFFAOYSA-N 1 0 293.367 2.888 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163571919 378981348 /nfs/dbraw/zinc/98/13/48/378981348.db2.gz COJHFHUZNFQGRB-GJZGRUSLSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000278614948 194069168 /nfs/dbraw/zinc/06/91/68/194069168.db2.gz BUMFYQXQCRYCFQ-DOMZBBRYSA-N 1 0 292.379 2.667 20 5 CFBDRO CCC(CC)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278626633 194073790 /nfs/dbraw/zinc/07/37/90/194073790.db2.gz HUULAEUIVVTFAL-UHFFFAOYSA-N 1 0 276.340 2.997 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278689729 194104522 /nfs/dbraw/zinc/10/45/22/194104522.db2.gz MTVMFLCRHWIWLQ-UWVGGRQHSA-N 1 0 274.324 2.749 20 5 CFBDRO Cc1cc(N[C@@H](C)[C@@H](C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167381768 379070296 /nfs/dbraw/zinc/07/02/96/379070296.db2.gz DOQHCIJJYIRPFC-ONGXEEELSA-N 1 0 289.335 2.880 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730512 379096116 /nfs/dbraw/zinc/09/61/16/379096116.db2.gz YCZZKACNIIIGEV-SWLSCSKDSA-N 1 0 279.384 2.976 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000278749405 194136821 /nfs/dbraw/zinc/13/68/21/194136821.db2.gz KCMUORIPIXTMAD-CMPLNLGQSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000171057423 379218955 /nfs/dbraw/zinc/21/89/55/379218955.db2.gz CEKXEBOZFIUZRW-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128577 379239842 /nfs/dbraw/zinc/23/98/42/379239842.db2.gz VFCTZBBNNWMMNX-QWRGUYRKSA-N 1 0 294.351 2.986 20 5 CFBDRO CC[NH+](CC)CCCCNc1nccc(C)c1[N+](=O)[O-] ZINC000172278028 379529679 /nfs/dbraw/zinc/52/96/79/379529679.db2.gz QWGOJAVPTPYUAW-UHFFFAOYSA-N 1 0 280.372 2.832 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CC1 ZINC000175106577 379997560 /nfs/dbraw/zinc/99/75/60/379997560.db2.gz ZDOMTBQZESZRST-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176247483 380200954 /nfs/dbraw/zinc/20/09/54/380200954.db2.gz LHUATRUMTWEIPQ-CYBMUJFWSA-N 1 0 294.399 2.940 20 5 CFBDRO Cc1c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000452113542 383746151 /nfs/dbraw/zinc/74/61/51/383746151.db2.gz ILZYICOETZLZAL-OAHLLOKOSA-N 1 0 291.395 2.818 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000452112256 383746423 /nfs/dbraw/zinc/74/64/23/383746423.db2.gz FOYFYIKDKVSPKD-GFCCVEGCSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000336813947 380674711 /nfs/dbraw/zinc/67/47/11/380674711.db2.gz VXVHELCZLLSGSB-VIFPVBQESA-N 1 0 267.304 2.629 20 5 CFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C)cc1 ZINC000181676948 380863936 /nfs/dbraw/zinc/86/39/36/380863936.db2.gz UQUVQYYEOPAZNR-CQSZACIVSA-N 1 0 288.351 2.841 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353804509 380865978 /nfs/dbraw/zinc/86/59/78/380865978.db2.gz MWIZKKLLGNDBNN-KBPBESRZSA-N 1 0 291.395 2.818 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000353775329 380845108 /nfs/dbraw/zinc/84/51/08/380845108.db2.gz METAGXFWVHLTRP-LBPRGKRZSA-N 1 0 266.341 2.840 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000353783460 380850118 /nfs/dbraw/zinc/85/01/18/380850118.db2.gz XGPOHJLTJRFHIS-SNVBAGLBSA-N 1 0 272.370 2.902 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287634135 380891918 /nfs/dbraw/zinc/89/19/18/380891918.db2.gz UHBKLVOUWHZVOY-MBNYWOFBSA-N 1 0 278.352 2.918 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287634134 380893435 /nfs/dbraw/zinc/89/34/35/380893435.db2.gz UHBKLVOUWHZVOY-DYEKYZERSA-N 1 0 278.352 2.918 20 5 CFBDRO C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[NH+](C)C ZINC000295596545 380964475 /nfs/dbraw/zinc/96/44/75/380964475.db2.gz UBSGASNVTOCLMN-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000289568036 381048621 /nfs/dbraw/zinc/04/86/21/381048621.db2.gz SIADVUZGVIKFJC-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182292560 381053484 /nfs/dbraw/zinc/05/34/84/381053484.db2.gz YMVOMCBOAFIDGR-LSDHHAIUSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000341511913 381057681 /nfs/dbraw/zinc/05/76/81/381057681.db2.gz MPUFYUOBLSGUSM-AWEZNQCLSA-N 1 0 292.379 2.873 20 5 CFBDRO COC1([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000412021561 381094276 /nfs/dbraw/zinc/09/42/76/381094276.db2.gz MSTXZHVGHHDAJW-LBPRGKRZSA-N 1 0 294.351 2.521 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000412021368 381094643 /nfs/dbraw/zinc/09/46/43/381094643.db2.gz MHZOITJXRGIPGV-NSHDSACASA-N 1 0 294.351 2.651 20 5 CFBDRO COC[C@@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347365060 381100206 /nfs/dbraw/zinc/10/02/06/381100206.db2.gz SMLLKLNJHIEKPF-YQCJOKCJSA-N 1 0 278.352 2.965 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000289734665 381128396 /nfs/dbraw/zinc/12/83/96/381128396.db2.gz VMNOWUGGMYSAKL-HNNXBMFYSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000368790558 381134117 /nfs/dbraw/zinc/13/41/17/381134117.db2.gz HQPHYQYSRREGLI-MRXNPFEDSA-N 1 0 290.363 2.986 20 5 CFBDRO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000341709458 381184243 /nfs/dbraw/zinc/18/42/43/381184243.db2.gz CCRJKLUDVJMKBD-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354354980 381220551 /nfs/dbraw/zinc/22/05/51/381220551.db2.gz SHIBQLXPVDFYIN-QWHCGFSZSA-N 1 0 277.368 2.904 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342287631 381248232 /nfs/dbraw/zinc/24/82/32/381248232.db2.gz AYKPBISSVLYFLX-MNOVXSKESA-N 1 0 268.288 2.584 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(C)CCCO1 ZINC000183584883 381289657 /nfs/dbraw/zinc/28/96/57/381289657.db2.gz BMOIXDHGPRKANY-AWEZNQCLSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000342313482 381271961 /nfs/dbraw/zinc/27/19/61/381271961.db2.gz XLPYPUSRACXAQS-NWDGAFQWSA-N 1 0 252.289 2.883 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000342313484 381272169 /nfs/dbraw/zinc/27/21/69/381272169.db2.gz XLPYPUSRACXAQS-VXGBXAGGSA-N 1 0 252.289 2.883 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)OC)C(C)C ZINC000354458625 381284816 /nfs/dbraw/zinc/28/48/16/381284816.db2.gz QIFUSAPFDIUPED-LBPRGKRZSA-N 1 0 296.367 2.849 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000369669648 381310841 /nfs/dbraw/zinc/31/08/41/381310841.db2.gz COSSYPXFXMTNBP-DZGCQCFKSA-N 1 0 276.336 2.514 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000296481594 381415649 /nfs/dbraw/zinc/41/56/49/381415649.db2.gz OFSOJFAUISSKJY-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000342566474 381399431 /nfs/dbraw/zinc/39/94/31/381399431.db2.gz IHHXGMHXWVAOKD-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO CCC(=O)c1ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000359479402 381427152 /nfs/dbraw/zinc/42/71/52/381427152.db2.gz DUIOWCRAAOCWAH-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCO1 ZINC000342606896 381429562 /nfs/dbraw/zinc/42/95/62/381429562.db2.gz QMMBGSOVYIRONZ-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000354744992 381432639 /nfs/dbraw/zinc/43/26/39/381432639.db2.gz IVVDUSHQMJCNGF-IVOILVROSA-N 1 0 290.363 2.845 20 5 CFBDRO C[NH+](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000348321355 381507154 /nfs/dbraw/zinc/50/71/54/381507154.db2.gz MRKPJQNAMDVAGX-QGZVFWFLSA-N 1 0 299.374 2.835 20 5 CFBDRO CC(C)[N@H+](CCC[C@@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354897042 381512728 /nfs/dbraw/zinc/51/27/28/381512728.db2.gz RBXYSXLCUXKILG-CYBMUJFWSA-N 1 0 280.368 2.966 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)no1 ZINC000290576839 381486123 /nfs/dbraw/zinc/48/61/23/381486123.db2.gz FRJYDAHEBKKTOW-NSHDSACASA-N 1 0 275.308 2.785 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000342708283 381490846 /nfs/dbraw/zinc/49/08/46/381490846.db2.gz URVFRHHPXOCKKG-OAHLLOKOSA-N 1 0 277.368 2.509 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000342708282 381490921 /nfs/dbraw/zinc/49/09/21/381490921.db2.gz URVFRHHPXOCKKG-HNNXBMFYSA-N 1 0 277.368 2.509 20 5 CFBDRO CC(=O)c1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000342837385 381577701 /nfs/dbraw/zinc/57/77/01/381577701.db2.gz XOSJRZKLDYORCC-HZMBPMFUSA-N 1 0 291.351 2.692 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cs1 ZINC000355106808 381614775 /nfs/dbraw/zinc/61/47/75/381614775.db2.gz IOEHTXKMESESHT-RYUDHWBXSA-N 1 0 282.365 2.657 20 5 CFBDRO Cc1cccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000348553150 381633133 /nfs/dbraw/zinc/63/31/33/381633133.db2.gz NRAPFSXXGKUAQK-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355203323 381673770 /nfs/dbraw/zinc/67/37/70/381673770.db2.gz DUDNOLFIRJESDV-HIFRSBDPSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414966282 381662399 /nfs/dbraw/zinc/66/23/99/381662399.db2.gz WCWIJKXBXBZFGR-IUODEOHRSA-N 1 0 291.395 2.806 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000291119065 381673303 /nfs/dbraw/zinc/67/33/03/381673303.db2.gz MAOQHQVKHCQJBU-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000348712071 381678922 /nfs/dbraw/zinc/67/89/22/381678922.db2.gz HIKUVLWMIOXEGE-LLBKUYECSA-N 1 0 278.352 2.701 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343404247 381690498 /nfs/dbraw/zinc/69/04/98/381690498.db2.gz QTEAQHBCWADNOZ-HOTGVXAUSA-N 1 0 299.330 2.610 20 5 CFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000291290506 381736732 /nfs/dbraw/zinc/73/67/32/381736732.db2.gz PPBPMHQNMSKEPR-CYBMUJFWSA-N 1 0 282.315 2.733 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O ZINC000360027932 381737255 /nfs/dbraw/zinc/73/72/55/381737255.db2.gz PKBKDJULOQMXNY-SNVBAGLBSA-N 1 0 286.759 2.839 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000360052660 381753130 /nfs/dbraw/zinc/75/31/30/381753130.db2.gz PYDGCGFKCVNZKU-UHFFFAOYSA-N 1 0 283.347 2.820 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000343500303 381754257 /nfs/dbraw/zinc/75/42/57/381754257.db2.gz WAISSRWQADGNDT-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372337851 381792290 /nfs/dbraw/zinc/79/22/90/381792290.db2.gz GAWHELMVDYOODA-NSHDSACASA-N 1 0 264.300 2.966 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292208804 381794681 /nfs/dbraw/zinc/79/46/81/381794681.db2.gz TVCQBWKKKIQGTP-CJNGLKHVSA-N 1 0 289.379 2.683 20 5 CFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292244325 381796964 /nfs/dbraw/zinc/79/69/64/381796964.db2.gz JRZAGWZOEANPIT-CQSZACIVSA-N 1 0 295.770 2.780 20 5 CFBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000291849684 381778122 /nfs/dbraw/zinc/77/81/22/381778122.db2.gz OYRVFPJRTISUOP-HNNXBMFYSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000343608979 381837622 /nfs/dbraw/zinc/83/76/22/381837622.db2.gz LYRRRCNWYCGAJQ-KBPBESRZSA-N 1 0 289.379 2.966 20 5 CFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292447375 381805741 /nfs/dbraw/zinc/80/57/41/381805741.db2.gz YWDRWSIGFJWXDT-CYBMUJFWSA-N 1 0 289.379 2.905 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000343669136 381879001 /nfs/dbraw/zinc/87/90/01/381879001.db2.gz CCKMPEXQFNJUSW-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343621097 381849183 /nfs/dbraw/zinc/84/91/83/381849183.db2.gz JVPZZIQEWVVLLJ-UHFFFAOYSA-N 1 0 279.340 2.655 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349210499 381849672 /nfs/dbraw/zinc/84/96/72/381849672.db2.gz FHNDVKFLCSDKPN-UWVGGRQHSA-N 1 0 283.759 2.777 20 5 CFBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415505306 381851694 /nfs/dbraw/zinc/85/16/94/381851694.db2.gz PXMBDQWKYRPXCW-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356867731 381874021 /nfs/dbraw/zinc/87/40/21/381874021.db2.gz MYCJEYONGXEJAV-JSGCOSHPSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC23CCC3)c1 ZINC000373100221 381926438 /nfs/dbraw/zinc/92/64/38/381926438.db2.gz QQUBRYJESOMIER-CQSZACIVSA-N 1 0 276.336 2.647 20 5 CFBDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000293028359 381956833 /nfs/dbraw/zinc/95/68/33/381956833.db2.gz PPMRGBKPBHMKOA-CYBMUJFWSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@@H]1C ZINC000292993585 381941193 /nfs/dbraw/zinc/94/11/93/381941193.db2.gz MKOAQVMJOGYWBW-NEPJUHHUSA-N 1 0 291.351 2.572 20 5 CFBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000293121799 381998644 /nfs/dbraw/zinc/99/86/44/381998644.db2.gz ZFQYIWNCIFBCIW-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000293121795 381998658 /nfs/dbraw/zinc/99/86/58/381998658.db2.gz ZFQYIWNCIFBCIW-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO CO[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000293147855 382008056 /nfs/dbraw/zinc/00/80/56/382008056.db2.gz URMJEQJKDILDAM-CSPWOOARSA-N 1 0 276.336 2.623 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000293062635 381974666 /nfs/dbraw/zinc/97/46/66/381974666.db2.gz MIRNODZRYXNTPY-JTQLQIEISA-N 1 0 283.759 2.636 20 5 CFBDRO C[C@@H](CO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347178 382048212 /nfs/dbraw/zinc/04/82/12/382048212.db2.gz WSPADJVPFJAQJC-IAQYHMDHSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929418 382024719 /nfs/dbraw/zinc/02/47/19/382024719.db2.gz QMNDMINPYUPYOX-IAQYHMDHSA-N 1 0 277.368 2.586 20 5 CFBDRO CCCNC(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299727574 382037396 /nfs/dbraw/zinc/03/73/96/382037396.db2.gz VLGMPDUMXOXTCX-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO CC[NH+]1CCC(N(C)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301243839 382118572 /nfs/dbraw/zinc/11/85/72/382118572.db2.gz GZBKOIIMZIKMAR-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1ccnc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301265827 382128801 /nfs/dbraw/zinc/12/88/01/382128801.db2.gz GMCWOJKMBBMVTD-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000301074132 382074556 /nfs/dbraw/zinc/07/45/56/382074556.db2.gz GICCBMWRDQYQFX-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000344026846 382076513 /nfs/dbraw/zinc/07/65/13/382076513.db2.gz JECPEFRCYLQKLL-CQSZACIVSA-N 1 0 260.337 2.869 20 5 CFBDRO COC1(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000293357635 382092145 /nfs/dbraw/zinc/09/21/45/382092145.db2.gz DXBBYVYETQIETF-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301269987 382130022 /nfs/dbraw/zinc/13/00/22/382130022.db2.gz HKXKXEUMEJVNGY-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301337813 382152648 /nfs/dbraw/zinc/15/26/48/382152648.db2.gz HAPKLVQYAZBWKW-LLVKDONJSA-N 1 0 265.357 2.983 20 5 CFBDRO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301375011 382161166 /nfs/dbraw/zinc/16/11/66/382161166.db2.gz VLQRFKGIDNHZDP-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO CCOCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357549020 382221115 /nfs/dbraw/zinc/22/11/15/382221115.db2.gz CTQGXUNDGLNXHX-NSHDSACASA-N 1 0 252.314 2.624 20 5 CFBDRO COCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000187616442 382225934 /nfs/dbraw/zinc/22/59/34/382225934.db2.gz ZCTNNZDPAXJLII-UHFFFAOYSA-N 1 0 276.336 2.682 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419331668 382289891 /nfs/dbraw/zinc/28/98/91/382289891.db2.gz JNZUHRJJHFLOLW-KGLIPLIRSA-N 1 0 294.399 2.938 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293722773 382251615 /nfs/dbraw/zinc/25/16/15/382251615.db2.gz PRDTUXPHVMDSLP-YPMHNXCESA-N 1 0 279.384 2.752 20 5 CFBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293775851 382273470 /nfs/dbraw/zinc/27/34/70/382273470.db2.gz YWIQJBZRQWVJOR-FZBZROKSSA-N 1 0 289.379 2.632 20 5 CFBDRO C[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000187935161 382303366 /nfs/dbraw/zinc/30/33/66/382303366.db2.gz QRBXNSWTVLPHEL-LBPRGKRZSA-N 1 0 291.351 2.655 20 5 CFBDRO COCCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000419377102 382304871 /nfs/dbraw/zinc/30/48/71/382304871.db2.gz AWNZCMRCCOXDAN-UHFFFAOYSA-N 1 0 293.323 2.594 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccsc3)C2)c1 ZINC000364326667 382307944 /nfs/dbraw/zinc/30/79/44/382307944.db2.gz HIHWFCDYDPOMPH-GFCCVEGCSA-N 1 0 292.364 2.690 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975609 382313518 /nfs/dbraw/zinc/31/35/18/382313518.db2.gz CDDFJQVFYHWNGE-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000352416063 382319610 /nfs/dbraw/zinc/31/96/10/382319610.db2.gz CUGONHBNAMRXPJ-CQSZACIVSA-N 1 0 291.395 2.992 20 5 CFBDRO CCOc1cc(N2CC[C@H]([N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000302792863 382320606 /nfs/dbraw/zinc/32/06/06/382320606.db2.gz ZKAXFPRGJZTEKZ-ZDUSSCGKSA-N 1 0 293.367 2.524 20 5 CFBDRO [NH3+][C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420129741 382331797 /nfs/dbraw/zinc/33/17/97/382331797.db2.gz XGRIWGOONNLPAD-QMMMGPOBSA-N 1 0 290.150 2.829 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346199424 382336251 /nfs/dbraw/zinc/33/62/51/382336251.db2.gz VRFKTNVCAKDOSS-CHWSQXEVSA-N 1 0 291.395 2.818 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420234951 382336553 /nfs/dbraw/zinc/33/65/53/382336553.db2.gz HWKDCDLIBLSQCD-GHMZBOCLSA-N 1 0 286.335 2.825 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000420288840 382341221 /nfs/dbraw/zinc/34/12/21/382341221.db2.gz SKLVKPOXMXUPCN-KOLCDFICSA-N 1 0 267.304 2.663 20 5 CFBDRO C[NH2+][C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420287870 382341679 /nfs/dbraw/zinc/34/16/79/382341679.db2.gz GREVNWYRSLKXEJ-STQMWFEESA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420287890 382342387 /nfs/dbraw/zinc/34/23/87/382342387.db2.gz RSBHYXFTJDIFIB-VXGBXAGGSA-N 1 0 263.341 2.833 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420290602 382343359 /nfs/dbraw/zinc/34/33/59/382343359.db2.gz UQQISDPVBPKSRU-RKDXNWHRSA-N 1 0 285.294 2.802 20 5 CFBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000419353594 382295379 /nfs/dbraw/zinc/29/53/79/382295379.db2.gz LLXLUMGIHCZXSE-MXWKQRLJSA-N 1 0 288.351 2.947 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293962631 382355303 /nfs/dbraw/zinc/35/53/03/382355303.db2.gz AFMNNEQBUKBJRQ-ZDUSSCGKSA-N 1 0 298.770 2.948 20 5 CFBDRO CC[C@H](O)[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000304092510 382374946 /nfs/dbraw/zinc/37/49/46/382374946.db2.gz CKXBJTMUZNXMOM-NEPJUHHUSA-N 1 0 284.381 2.782 20 5 CFBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294004984 382375869 /nfs/dbraw/zinc/37/58/69/382375869.db2.gz CYCXXEOSTOQXBD-BONVTDFDSA-N 1 0 293.367 2.643 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CSC)ccc1[N+](=O)[O-] ZINC000352524482 382380266 /nfs/dbraw/zinc/38/02/66/382380266.db2.gz BDIRYEMUKQQCML-GFCCVEGCSA-N 1 0 296.392 2.931 20 5 CFBDRO NC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420357952 382382279 /nfs/dbraw/zinc/38/22/79/382382279.db2.gz DYRSTAIBCKAXPE-MRXNPFEDSA-N 1 0 291.395 2.635 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CCC([NH+](C)C)CC2)n1 ZINC000420626379 382433136 /nfs/dbraw/zinc/43/31/36/382433136.db2.gz MAHFHDOKXHCBDH-UHFFFAOYSA-N 1 0 292.383 2.891 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294151031 382436173 /nfs/dbraw/zinc/43/61/73/382436173.db2.gz QBFNUYBZZQHJIE-BXUZGUMPSA-N 1 0 286.335 2.629 20 5 CFBDRO Cc1ccnc(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420634186 382436955 /nfs/dbraw/zinc/43/69/55/382436955.db2.gz ZOZKSXDJPAACKC-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000294164031 382440597 /nfs/dbraw/zinc/44/05/97/382440597.db2.gz IQLLINHXIJJOQY-KOLCDFICSA-N 1 0 272.370 2.807 20 5 CFBDRO CC(F)(F)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000294090800 382411149 /nfs/dbraw/zinc/41/11/49/382411149.db2.gz BCGFLTSLTJYSSC-UHFFFAOYSA-N 1 0 250.270 2.791 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(F)c1 ZINC000352617478 382418837 /nfs/dbraw/zinc/41/88/37/382418837.db2.gz DFXOQWCCNOFHCB-WFASDCNBSA-N 1 0 294.326 2.735 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000308401388 382475384 /nfs/dbraw/zinc/47/53/84/382475384.db2.gz WUMLCUDTWPSVLL-ZIAGYGMSSA-N 1 0 276.336 2.642 20 5 CFBDRO Cc1ccc(CNC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000308627834 382482033 /nfs/dbraw/zinc/48/20/33/382482033.db2.gz JVYUBCICQRJVOP-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310785647 382496856 /nfs/dbraw/zinc/49/68/56/382496856.db2.gz AEBUGERSXYYPMP-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCOC(F)(F)F ZINC000353179904 382517727 /nfs/dbraw/zinc/51/77/27/382517727.db2.gz GMLDHWUWCPRLFM-UHFFFAOYSA-N 1 0 278.230 2.529 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000346868993 382551790 /nfs/dbraw/zinc/55/17/90/382551790.db2.gz JTAFBNSCYRRVQD-QWHCGFSZSA-N 1 0 278.352 2.980 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358297988 382555314 /nfs/dbraw/zinc/55/53/14/382555314.db2.gz LWLNVRUYFJVRLK-GXTWGEPZSA-N 1 0 298.408 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000353749346 382625522 /nfs/dbraw/zinc/62/55/22/382625522.db2.gz FPZZVXDOQITPLK-INIZCTEOSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000353751907 382625916 /nfs/dbraw/zinc/62/59/16/382625916.db2.gz QMBYZCDWUSASIM-MRXNPFEDSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c(Cl)c1 ZINC000189928036 382645433 /nfs/dbraw/zinc/64/54/33/382645433.db2.gz ZKPIVPIXOCYEQQ-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1C ZINC000190975369 382687113 /nfs/dbraw/zinc/68/71/13/382687113.db2.gz CZDCOBHEIQPEDD-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190211195 382657080 /nfs/dbraw/zinc/65/70/80/382657080.db2.gz UOXPRZJEHVHHID-MRXNPFEDSA-N 1 0 292.379 2.888 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000190954757 382686229 /nfs/dbraw/zinc/68/62/29/382686229.db2.gz AJGSHBAQDXXLEU-TZMCWYRMSA-N 1 0 294.351 2.651 20 5 CFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191293976 382697885 /nfs/dbraw/zinc/69/78/85/382697885.db2.gz DUCUPEDOHISEID-ZIAGYGMSSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000192249912 382706030 /nfs/dbraw/zinc/70/60/30/382706030.db2.gz QSDNBICOKCZHRD-GHMZBOCLSA-N 1 0 274.324 2.740 20 5 CFBDRO CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000192474032 382709330 /nfs/dbraw/zinc/70/93/30/382709330.db2.gz KMFLKDPGWCVLGK-UHFFFAOYSA-N 1 0 286.401 2.972 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000192502862 382709615 /nfs/dbraw/zinc/70/96/15/382709615.db2.gz HTFUEQVFBOIXLU-LLVKDONJSA-N 1 0 298.412 2.831 20 5 CFBDRO CCN(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192748427 382711796 /nfs/dbraw/zinc/71/17/96/382711796.db2.gz LYICMXQMOPFWBE-OAHLLOKOSA-N 1 0 277.368 2.514 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193300891 382718383 /nfs/dbraw/zinc/71/83/83/382718383.db2.gz KSFBXGKIDFNVIX-LLEDDSNTSA-N 1 0 290.363 2.889 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000336828903 382725620 /nfs/dbraw/zinc/72/56/20/382725620.db2.gz DYDYSFYPUYJTNW-KGLIPLIRSA-N 1 0 278.352 2.808 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000195510644 382768619 /nfs/dbraw/zinc/76/86/19/382768619.db2.gz VYUAEDDOEACNJI-VHSXEESVSA-N 1 0 284.385 2.584 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214745908 382776941 /nfs/dbraw/zinc/77/69/41/382776941.db2.gz OUDBFCXFLSTTHT-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)OC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000337253612 382786582 /nfs/dbraw/zinc/78/65/82/382786582.db2.gz LYDNKXFGDACNCL-GFCCVEGCSA-N 1 0 266.341 2.540 20 5 CFBDRO CN(CCC[NH+]1CCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000337270418 382790762 /nfs/dbraw/zinc/79/07/62/382790762.db2.gz MPWQBWYVAOTNKZ-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000194620703 382750333 /nfs/dbraw/zinc/75/03/33/382750333.db2.gz BELFXSKTJIETQF-JQWIXIFHSA-N 1 0 294.351 2.977 20 5 CFBDRO Cc1c(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000228317712 382846520 /nfs/dbraw/zinc/84/65/20/382846520.db2.gz IPXFBSXSZPMZRJ-SLEUVZQESA-N 1 0 291.395 2.722 20 5 CFBDRO CC(C)OCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000228564436 382847942 /nfs/dbraw/zinc/84/79/42/382847942.db2.gz FKVIUUZVQVEHNK-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1 ZINC000223258169 382804672 /nfs/dbraw/zinc/80/46/72/382804672.db2.gz ZIWYLQLLASFHKY-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO CCOC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000224434885 382811003 /nfs/dbraw/zinc/81/10/03/382811003.db2.gz HJFXSPXCRFCVGN-UHFFFAOYSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cnc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000576122973 382811664 /nfs/dbraw/zinc/81/16/64/382811664.db2.gz VNKKPYZDUILNLR-CHWSQXEVSA-N 1 0 293.367 2.655 20 5 CFBDRO COCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225589314 382818414 /nfs/dbraw/zinc/81/84/14/382818414.db2.gz TYIOMLVUPTXRGU-UHFFFAOYSA-N 1 0 258.343 2.563 20 5 CFBDRO COc1cccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000225587131 382818605 /nfs/dbraw/zinc/81/86/05/382818605.db2.gz FLAIZLLDNDNEMH-UHFFFAOYSA-N 1 0 292.360 2.997 20 5 CFBDRO C[NH+]1CCC(C)(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000227307443 382835064 /nfs/dbraw/zinc/83/50/64/382835064.db2.gz NDLHQNBQZZXFOV-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227378666 382836606 /nfs/dbraw/zinc/83/66/06/382836606.db2.gz WEQJSGLLYOPVIN-GOEBONIOSA-N 1 0 290.363 2.722 20 5 CFBDRO C[NH2+]CCS[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576820316 382837292 /nfs/dbraw/zinc/83/72/92/382837292.db2.gz RMHJECPZNOTBRU-JTQLQIEISA-N 1 0 254.355 2.917 20 5 CFBDRO CC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)COC1 ZINC000441253451 382904231 /nfs/dbraw/zinc/90/42/31/382904231.db2.gz XKOIZEGLZVADGX-UHFFFAOYSA-N 1 0 276.336 2.596 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000577301155 382854941 /nfs/dbraw/zinc/85/49/41/382854941.db2.gz UVHCCZSDSBPXAI-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681678 382854992 /nfs/dbraw/zinc/85/49/92/382854992.db2.gz IBBSYKXXTRCZGE-PWSUYJOCSA-N 1 0 291.351 2.572 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000230690412 382862718 /nfs/dbraw/zinc/86/27/18/382862718.db2.gz CZBCXMOTRPVZIF-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO CCOC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000233728009 382871824 /nfs/dbraw/zinc/87/18/24/382871824.db2.gz LQTBHQVNCFXCEY-OAHLLOKOSA-N 1 0 280.368 2.788 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000444255241 382972831 /nfs/dbraw/zinc/97/28/31/382972831.db2.gz YTUDLCTUNWWSMW-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@H]1C[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772556 382980150 /nfs/dbraw/zinc/98/01/50/382980150.db2.gz FZCFHMIGMHPTRC-QWHCGFSZSA-N 1 0 290.363 2.768 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000338346672 382998084 /nfs/dbraw/zinc/99/80/84/382998084.db2.gz DZOXLMHAGMTFLG-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245453699 383001732 /nfs/dbraw/zinc/00/17/32/383001732.db2.gz RKIFOORPZXFPHG-PWSUYJOCSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1c([C@H](C)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423355658 383062897 /nfs/dbraw/zinc/06/28/97/383062897.db2.gz FREJSNZFDJURJQ-QWHCGFSZSA-N 1 0 277.368 2.696 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000423369078 383067432 /nfs/dbraw/zinc/06/74/32/383067432.db2.gz SFNWGZURVUSMNG-VHRBIJSZSA-N 1 0 277.368 2.552 20 5 CFBDRO C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000423041808 383026227 /nfs/dbraw/zinc/02/62/27/383026227.db2.gz JWNKZJZGYGCFOO-ZWNOBZJWSA-N 1 0 297.786 2.521 20 5 CFBDRO Cc1c(NC(=O)C[N@@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000608886440 383133754 /nfs/dbraw/zinc/13/37/54/383133754.db2.gz WTTMADZSOYABLT-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246682682 383092250 /nfs/dbraw/zinc/09/22/50/383092250.db2.gz MPKYGRLYYOCZCI-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO COc1ccc(C[NH2+]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000584522510 383109700 /nfs/dbraw/zinc/10/97/00/383109700.db2.gz NAYNKIHCZYDQBD-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000339004485 383116870 /nfs/dbraw/zinc/11/68/70/383116870.db2.gz XIMMZWWQXUFPRE-NWDGAFQWSA-N 1 0 278.356 2.665 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000588550963 383119112 /nfs/dbraw/zinc/11/91/12/383119112.db2.gz DBBKESAONOLNEM-XRJQOLIDSA-N 1 0 288.347 2.765 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000449092676 383171981 /nfs/dbraw/zinc/17/19/81/383171981.db2.gz MQAJLFHEUKFXAW-NSHDSACASA-N 1 0 260.293 2.909 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000566572383 383190473 /nfs/dbraw/zinc/19/04/73/383190473.db2.gz SGDMDJJWRGIBLL-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOC(F)(F)F ZINC000449279663 383196995 /nfs/dbraw/zinc/19/69/95/383196995.db2.gz SBCIOUVQTJKLSQ-VIFPVBQESA-N 1 0 292.257 2.652 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000339468558 383208167 /nfs/dbraw/zinc/20/81/67/383208167.db2.gz ODJQVPCYMGZSJU-INIZCTEOSA-N 1 0 292.379 2.934 20 5 CFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449419095 383278607 /nfs/dbraw/zinc/27/86/07/383278607.db2.gz GVIUQDZZKQULHS-SJKUQHEZSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334383 383224042 /nfs/dbraw/zinc/22/40/42/383224042.db2.gz JFFVXHPHEUMCGR-ZIAGYGMSSA-N 1 0 293.411 2.844 20 5 CFBDRO CC(C)c1ccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248414967 383239253 /nfs/dbraw/zinc/23/92/53/383239253.db2.gz NKSYDPBXIYPTRB-JSGCOSHPSA-N 1 0 292.379 2.921 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cc[nH]n1)CCCC2 ZINC000567096052 383240260 /nfs/dbraw/zinc/24/02/60/383240260.db2.gz VOGUBOWKAUYIRJ-HNNXBMFYSA-N 1 0 286.335 2.875 20 5 CFBDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449492057 383329993 /nfs/dbraw/zinc/32/99/93/383329993.db2.gz BDZCITVGLOLTFV-MOCUHTECSA-N 1 0 290.363 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000449502395 383339441 /nfs/dbraw/zinc/33/94/41/383339441.db2.gz RPISLRUQEYBISS-ZDUSSCGKSA-N 1 0 286.335 2.698 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449506687 383342277 /nfs/dbraw/zinc/34/22/77/383342277.db2.gz ZKIJESWVNZDLCR-AWEZNQCLSA-N 1 0 278.352 2.842 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cs1 ZINC000449514775 383349599 /nfs/dbraw/zinc/34/95/99/383349599.db2.gz YWKPYDLAQDUQDM-GXTWGEPZSA-N 1 0 296.392 2.543 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000567994900 383342601 /nfs/dbraw/zinc/34/26/01/383342601.db2.gz XUYXITOYSQJFEZ-GOEBONIOSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000466827252 383346229 /nfs/dbraw/zinc/34/62/29/383346229.db2.gz UWUSYFFMJCWPCL-NOZJJQNGSA-N 1 0 279.315 2.629 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000249049837 383321871 /nfs/dbraw/zinc/32/18/71/383321871.db2.gz XFAPDTPVBWSMSK-WQGACYEGSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H](F)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000568472433 383405060 /nfs/dbraw/zinc/40/50/60/383405060.db2.gz UUOOYLKXVQCYDI-QWRGUYRKSA-N 1 0 297.330 2.650 20 5 CFBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000449635645 383358590 /nfs/dbraw/zinc/35/85/90/383358590.db2.gz UZYZIUQVBWUVMU-LSDHHAIUSA-N 1 0 290.363 2.984 20 5 CFBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630798 383358649 /nfs/dbraw/zinc/35/86/49/383358649.db2.gz JEIYXTKIYBFMQV-LSDHHAIUSA-N 1 0 290.363 2.984 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468632290 383361714 /nfs/dbraw/zinc/36/17/14/383361714.db2.gz SJYNZXOPFCLRAU-KANSDYPASA-N 1 0 292.379 2.995 20 5 CFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000524596682 383376140 /nfs/dbraw/zinc/37/61/40/383376140.db2.gz PEWPTYVWWHOPMX-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000250989374 383383560 /nfs/dbraw/zinc/38/35/60/383383560.db2.gz XFYKKZPZUHGPLQ-STQMWFEESA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649367 383423098 /nfs/dbraw/zinc/42/30/98/383423098.db2.gz WWAYETPSKNTSPB-CFVMTHIKSA-N 1 0 289.379 2.872 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])nc1 ZINC000450477567 383427074 /nfs/dbraw/zinc/42/70/74/383427074.db2.gz WZINJLOSDGLPLP-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000569089987 383465637 /nfs/dbraw/zinc/46/56/37/383465637.db2.gz RTZAVWHNVVQNSY-FRRDWIJNSA-N 1 0 292.383 2.768 20 5 CFBDRO Cc1c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000488002913 383486737 /nfs/dbraw/zinc/48/67/37/383486737.db2.gz CPCYBONKWXKFCT-MRXNPFEDSA-N 1 0 291.395 2.675 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000428549454 383490571 /nfs/dbraw/zinc/49/05/71/383490571.db2.gz GWAHRVNCWIGWGU-CYBMUJFWSA-N 1 0 284.315 2.557 20 5 CFBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000488170154 383502388 /nfs/dbraw/zinc/50/23/88/383502388.db2.gz UTVUUGVVCRKZPH-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CO)CCCC1 ZINC000569590898 383516011 /nfs/dbraw/zinc/51/60/11/383516011.db2.gz QQVSXONSKUTONB-CQSZACIVSA-N 1 0 290.363 2.724 20 5 CFBDRO CC(C)([NH2+]Cc1cnc(N)s1)c1ccc([N+](=O)[O-])cc1 ZINC000261878757 383573964 /nfs/dbraw/zinc/57/39/64/383573964.db2.gz QOCJENVOYUTPKB-UHFFFAOYSA-N 1 0 292.364 2.658 20 5 CFBDRO CC(C)c1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000570216033 383583039 /nfs/dbraw/zinc/58/30/39/383583039.db2.gz MACALLGPQBHSSL-GHMZBOCLSA-N 1 0 293.367 2.574 20 5 CFBDRO CO[C@H](C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546741 383641337 /nfs/dbraw/zinc/64/13/37/383641337.db2.gz JOSWFVZGXIPODB-OCCSQVGLSA-N 1 0 278.352 2.809 20 5 CFBDRO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551775 383644076 /nfs/dbraw/zinc/64/40/76/383644076.db2.gz VGSOQOUKQVNKSM-DZGCQCFKSA-N 1 0 278.352 2.545 20 5 CFBDRO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553594 383645562 /nfs/dbraw/zinc/64/55/62/383645562.db2.gz YAXNKQKNHVDFRL-HOCLYGCPSA-N 1 0 292.379 2.791 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCCO ZINC000570980859 383653364 /nfs/dbraw/zinc/65/33/64/383653364.db2.gz FTOKZAGBVUDEBD-RAXLEYEMSA-N 1 0 278.352 2.750 20 5 CFBDRO CC1(F)CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453236244 383811252 /nfs/dbraw/zinc/81/12/52/383811252.db2.gz KWNPNZJQCXSLAP-BEVNXUHPSA-N 1 0 296.346 2.755 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C(C)(C)C ZINC000453197437 383797763 /nfs/dbraw/zinc/79/77/63/383797763.db2.gz TWQOSAZSCOJAPD-WFASDCNBSA-N 1 0 294.395 2.913 20 5 CFBDRO CC1(C)C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000453577964 383856062 /nfs/dbraw/zinc/85/60/62/383856062.db2.gz ICDJZTRKXDEUNU-ZDUSSCGKSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281003658 195065716 /nfs/dbraw/zinc/06/57/16/195065716.db2.gz KXFZWAAOWAXIDU-PRWKNARSSA-N 1 0 296.392 2.547 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000531712278 383910233 /nfs/dbraw/zinc/91/02/33/383910233.db2.gz SNCSBDRBLCGORS-IUODEOHRSA-N 1 0 280.368 2.961 20 5 CFBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](CC)CC ZINC000265409678 383910403 /nfs/dbraw/zinc/91/04/03/383910403.db2.gz BXHAONNSHDKNQU-AWEZNQCLSA-N 1 0 293.367 2.962 20 5 CFBDRO Cc1ccnc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000265291913 383887389 /nfs/dbraw/zinc/88/73/89/383887389.db2.gz XZYZKVMLJNSNEW-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)CCO ZINC000532240718 384000620 /nfs/dbraw/zinc/00/06/20/384000620.db2.gz VVSXOBFGHZEMIX-LBPRGKRZSA-N 1 0 280.368 2.962 20 5 CFBDRO COc1ccc(C[N@H+](C)CCCOC(C)C)cc1[N+](=O)[O-] ZINC000265838747 384013109 /nfs/dbraw/zinc/01/31/09/384013109.db2.gz FWTPLYGWSJBEBQ-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO O=C(CC[NH+]1C2CCC1CC2)Nc1ccccc1[N+](=O)[O-] ZINC000532466304 384033290 /nfs/dbraw/zinc/03/32/90/384033290.db2.gz ITAROCYOLGZCHP-UHFFFAOYSA-N 1 0 289.335 2.550 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000266227520 384123846 /nfs/dbraw/zinc/12/38/46/384123846.db2.gz SAGFMNMVJWUNFQ-SNVBAGLBSA-N 1 0 298.774 2.564 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420378674 285088750 /nfs/dbraw/zinc/08/87/50/285088750.db2.gz BIVCWQGPIJYIDS-BETUJISGSA-N 1 0 295.770 2.575 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000266745411 384230788 /nfs/dbraw/zinc/23/07/88/384230788.db2.gz ATSVECNSDFRUDV-BXUZGUMPSA-N 1 0 266.341 2.916 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266761208 384234946 /nfs/dbraw/zinc/23/49/46/384234946.db2.gz GQGJURMBGUWAAS-GWCFXTLKSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266990314 384275203 /nfs/dbraw/zinc/27/52/03/384275203.db2.gz AMNTYIDEYCNWBJ-WCQYABFASA-N 1 0 295.358 2.648 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CCF)cc1[N+](=O)[O-] ZINC000281127957 195114110 /nfs/dbraw/zinc/11/41/10/195114110.db2.gz STRLKFSHHFHOGM-VIFPVBQESA-N 1 0 256.277 2.614 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000277420494 384296486 /nfs/dbraw/zinc/29/64/86/384296486.db2.gz ARTNWHCEKDBJLG-MRXNPFEDSA-N 1 0 289.379 2.701 20 5 CFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccs1 ZINC000267085682 384296510 /nfs/dbraw/zinc/29/65/10/384296510.db2.gz OKEJINGIWOLORB-UHFFFAOYSA-N 1 0 294.380 2.763 20 5 CFBDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267106667 384300214 /nfs/dbraw/zinc/30/02/14/384300214.db2.gz WIMGLBPVWYDJLY-CYBMUJFWSA-N 1 0 288.351 2.793 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCSC1 ZINC000267246495 384335608 /nfs/dbraw/zinc/33/56/08/384335608.db2.gz YOYQYRBPNXANNP-LBPRGKRZSA-N 1 0 296.392 2.979 20 5 CFBDRO COc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000267262753 384339944 /nfs/dbraw/zinc/33/99/44/384339944.db2.gz KUPMFRGVCOSIQO-DGCLKSJQSA-N 1 0 293.367 2.888 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000267219080 384327281 /nfs/dbraw/zinc/32/72/81/384327281.db2.gz IXRYDJXLKNWMSL-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000289401050 197329806 /nfs/dbraw/zinc/32/98/06/197329806.db2.gz KZFRDKQYYAPLDW-GOEBONIOSA-N 1 0 290.363 2.750 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000268025662 384512852 /nfs/dbraw/zinc/51/28/52/384512852.db2.gz IZCRFKGOISSLIR-STQMWFEESA-N 1 0 277.368 2.822 20 5 CFBDRO CCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000289373504 197317449 /nfs/dbraw/zinc/31/74/49/197317449.db2.gz BLXJUXYZDPZYEL-UHFFFAOYSA-N 1 0 279.384 2.677 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278364858 384542859 /nfs/dbraw/zinc/54/28/59/384542859.db2.gz BNKYMCQUWHEOSV-JKOKRWQUSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278364866 384542898 /nfs/dbraw/zinc/54/28/98/384542898.db2.gz BNKYMCQUWHEOSV-VHRBIJSZSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279402813 384627441 /nfs/dbraw/zinc/62/74/41/384627441.db2.gz ZRYJMKVRXFIWOM-MJVIPROJSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000268299720 384594470 /nfs/dbraw/zinc/59/44/70/384594470.db2.gz XPBAYIGQHOSENO-MQMHXKEQSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000301382603 285133724 /nfs/dbraw/zinc/13/37/24/285133724.db2.gz ZKSKQERTIBLIJJ-MAZHCROVSA-N 1 0 287.363 2.515 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000268895847 384688195 /nfs/dbraw/zinc/68/81/95/384688195.db2.gz YUQLQHOSTIJYMU-DGCLKSJQSA-N 1 0 293.342 2.654 20 5 CFBDRO C[C@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000268950293 384700263 /nfs/dbraw/zinc/70/02/63/384700263.db2.gz CCLZGDREHOYPDD-LBPRGKRZSA-N 1 0 286.335 2.753 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000269636636 384815644 /nfs/dbraw/zinc/81/56/44/384815644.db2.gz HOPQGRWBFQPSRZ-IUODEOHRSA-N 1 0 280.368 2.995 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000269676460 384831147 /nfs/dbraw/zinc/83/11/47/384831147.db2.gz WRNPSAFEDDZRCE-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269628057 384810495 /nfs/dbraw/zinc/81/04/95/384810495.db2.gz DFHKKXUMJCEMLP-LALPHHSUSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280265468 384949957 /nfs/dbraw/zinc/94/99/57/384949957.db2.gz YADZXVPRVXJDDS-DOMZBBRYSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)CCC2 ZINC000192861648 285144469 /nfs/dbraw/zinc/14/44/69/285144469.db2.gz WYSGDJVWMGHNPD-JYJNAYRXSA-N 1 0 290.363 2.865 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1=CCOCC1)CCC2 ZINC000453289669 285144571 /nfs/dbraw/zinc/14/45/71/285144571.db2.gz MIMBSHBMZWCOJW-MRXNPFEDSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000253103985 285153497 /nfs/dbraw/zinc/15/34/97/285153497.db2.gz ZDPZNGVTUACHOC-BZUAXINKSA-N 1 0 290.363 2.720 20 5 CFBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000271027567 385309046 /nfs/dbraw/zinc/30/90/46/385309046.db2.gz AXNLPIGEESFFLD-SOFGYWHQSA-N 1 0 264.325 2.576 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282457753 385315728 /nfs/dbraw/zinc/31/57/28/385315728.db2.gz JNKNHUYTTFSXII-OAHLLOKOSA-N 1 0 296.342 2.718 20 5 CFBDRO C[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000270984780 385291694 /nfs/dbraw/zinc/29/16/94/385291694.db2.gz FMYGWEQBWXPMBQ-UHFFFAOYSA-N 1 0 292.360 2.747 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCC[C@@H]1O ZINC000283161092 385441621 /nfs/dbraw/zinc/44/16/21/385441621.db2.gz OYONCPXQUNSJIM-DOMZBBRYSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccco2)n1 ZINC000351519757 285169580 /nfs/dbraw/zinc/16/95/80/285169580.db2.gz VJNKBQJOISKMOV-OLZOCXBDSA-N 1 0 290.323 2.658 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCO[C@@H]1C1CC1 ZINC000283238687 385448854 /nfs/dbraw/zinc/44/88/54/385448854.db2.gz UPDGVDWTSKCREJ-CABCVRRESA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000192538662 285173854 /nfs/dbraw/zinc/17/38/54/285173854.db2.gz YRUOPPXMKGSDLI-NSHDSACASA-N 1 0 296.396 2.506 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000272620776 385577323 /nfs/dbraw/zinc/57/73/23/385577323.db2.gz YHZYIELWWKYJAR-ZBFHGGJFSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H]1CCC[C@H](CO)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681217 385587286 /nfs/dbraw/zinc/58/72/86/385587286.db2.gz RYQYGTYYDVVORQ-GXFFZTMASA-N 1 0 298.770 2.984 20 5 CFBDRO CC(=O)c1cc(NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000286552185 385648289 /nfs/dbraw/zinc/64/82/89/385648289.db2.gz DPSDNFCGYNDRQC-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000286950595 385747675 /nfs/dbraw/zinc/74/76/75/385747675.db2.gz HIQXVBQEDRWVKE-JQWIXIFHSA-N 1 0 265.357 2.504 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000287130470 385787823 /nfs/dbraw/zinc/78/78/23/385787823.db2.gz ZUCSXVBETAZZIZ-UHFFFAOYSA-N 1 0 294.351 2.603 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000286850988 385723966 /nfs/dbraw/zinc/72/39/66/385723966.db2.gz AKRWMQWXYCKSMC-NWDGAFQWSA-N 1 0 295.383 2.594 20 5 CFBDRO COC[C@@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347365058 285204049 /nfs/dbraw/zinc/20/40/49/285204049.db2.gz SMLLKLNJHIEKPF-LLBKUYECSA-N 1 0 278.352 2.965 20 5 CFBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000275675792 385977957 /nfs/dbraw/zinc/97/79/57/385977957.db2.gz DBMGLZSLJOSCOX-AWEZNQCLSA-N 1 0 278.352 2.890 20 5 CFBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276841251 386056130 /nfs/dbraw/zinc/05/61/30/386056130.db2.gz CJXJPPKKRXPOBE-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO CC(C)(CNCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276737402 386029977 /nfs/dbraw/zinc/02/99/77/386029977.db2.gz XFTRTXWVSXGYFS-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO CCOc1cc(C[NH2+][C@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000276860897 386062005 /nfs/dbraw/zinc/06/20/05/386062005.db2.gz GHMUXDAQQVRTBN-SNVBAGLBSA-N 1 0 290.323 2.567 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276892584 386072289 /nfs/dbraw/zinc/07/22/89/386072289.db2.gz GOVCYQUIKTUPPR-LLVKDONJSA-N 1 0 299.330 2.815 20 5 CFBDRO COc1ccc(C[NH2+]CC2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000276962985 386092857 /nfs/dbraw/zinc/09/28/57/386092857.db2.gz MWQGQRMKBCJPRI-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1=CCCOC1 ZINC000288408795 197070450 /nfs/dbraw/zinc/07/04/50/197070450.db2.gz IOGAVVXMVIRAJE-XVNBXDOJSA-N 1 0 274.320 2.544 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281279873 195178443 /nfs/dbraw/zinc/17/84/43/195178443.db2.gz XKFIGYAZWMQWCP-RISCZKNCSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414063191 533222508 /nfs/dbraw/zinc/22/25/08/533222508.db2.gz CNAMNJOTBZQOEA-CWSCBRNRSA-N 1 0 264.325 2.738 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281663043 195326851 /nfs/dbraw/zinc/32/68/51/195326851.db2.gz KWNGHULUEOHIDH-RISCZKNCSA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281703271 195345218 /nfs/dbraw/zinc/34/52/18/195345218.db2.gz NXYDVMWNEWCJFD-YPMHNXCESA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190946321 533260336 /nfs/dbraw/zinc/26/03/36/533260336.db2.gz ZWWWHTOOPQKMPX-OLZOCXBDSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000413230026 533612873 /nfs/dbraw/zinc/61/28/73/533612873.db2.gz KLFVXPGQHOLIHB-NSHDSACASA-N 1 0 296.346 2.805 20 5 CFBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000230379325 130902514 /nfs/dbraw/zinc/90/25/14/130902514.db2.gz RHOTWODDKWZRGI-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000237205475 131013623 /nfs/dbraw/zinc/01/36/23/131013623.db2.gz KBSCEEITQQPTGG-SECBINFHSA-N 1 0 280.324 2.500 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248358206 131114495 /nfs/dbraw/zinc/11/44/95/131114495.db2.gz QMPLRWKBXSMEJD-WOPDTQHZSA-N 1 0 291.351 2.652 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261661301 131160202 /nfs/dbraw/zinc/16/02/02/131160202.db2.gz KNUIXAYJCXIJHG-WCQYABFASA-N 1 0 291.351 2.749 20 5 CFBDRO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262096979 131190767 /nfs/dbraw/zinc/19/07/67/131190767.db2.gz BXLMAWQTBJEPCD-ABAIWWIYSA-N 1 0 293.367 2.598 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCCCC1 ZINC000264520258 131465212 /nfs/dbraw/zinc/46/52/12/131465212.db2.gz ZVSHAHMIRVWQSR-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO Cc1nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268524932 132022188 /nfs/dbraw/zinc/02/21/88/132022188.db2.gz VVGOXPPIYDTPMA-NWDGAFQWSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000268932978 132090356 /nfs/dbraw/zinc/09/03/56/132090356.db2.gz SXDYMHHHOFCNBL-PWSUYJOCSA-N 1 0 265.357 2.504 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000178869974 393449225 /nfs/dbraw/zinc/44/92/25/393449225.db2.gz CIWANCHFTVEKIT-SECBINFHSA-N 1 0 285.294 2.769 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000178869968 393449303 /nfs/dbraw/zinc/44/93/03/393449303.db2.gz CIWANCHFTVEKIT-VIFPVBQESA-N 1 0 285.294 2.769 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301702120 393476141 /nfs/dbraw/zinc/47/61/41/393476141.db2.gz GMZRIGUYJJNEDJ-BBRMVZONSA-N 1 0 289.379 2.824 20 5 CFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000180966086 393487400 /nfs/dbraw/zinc/48/74/00/393487400.db2.gz SQKMNAVOQUTBFT-AWEZNQCLSA-N 1 0 292.314 2.671 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184369633 393527241 /nfs/dbraw/zinc/52/72/41/393527241.db2.gz NBZKARUNHMAOJC-UHFFFAOYSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000051995994 393617455 /nfs/dbraw/zinc/61/74/55/393617455.db2.gz ZEKVCHLBOXNNCB-BPNCWPANSA-N 1 0 264.325 2.549 20 5 CFBDRO CC1(C)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000077382734 393698131 /nfs/dbraw/zinc/69/81/31/393698131.db2.gz WAMDQTMWZXOSFD-UHFFFAOYSA-N 1 0 292.335 2.836 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000089580911 393768126 /nfs/dbraw/zinc/76/81/26/393768126.db2.gz QUFGAPWVVHYZFX-NSHDSACASA-N 1 0 264.325 2.752 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CC=C(C)CC2)n1 ZINC000339975594 393835034 /nfs/dbraw/zinc/83/50/34/393835034.db2.gz NMQZJQVMQLJQPU-UHFFFAOYSA-N 1 0 290.367 2.671 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000424190229 393791275 /nfs/dbraw/zinc/79/12/75/393791275.db2.gz FRUBREBUYJQJGB-QWHCGFSZSA-N 1 0 276.336 2.882 20 5 CFBDRO [NH3+]C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071575 393810806 /nfs/dbraw/zinc/81/08/06/393810806.db2.gz WOYFIDXKKMJZMF-ZHMISCPASA-N 1 0 289.379 2.715 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000415134492 393811802 /nfs/dbraw/zinc/81/18/02/393811802.db2.gz HWXJKVFRJYUOGI-HNNXBMFYSA-N 1 0 297.358 2.793 20 5 CFBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424289327 393815222 /nfs/dbraw/zinc/81/52/22/393815222.db2.gz BXCIWCBVIWDXJX-LERXQTSPSA-N 1 0 263.341 2.515 20 5 CFBDRO COC(=O)CC1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000424353708 393839080 /nfs/dbraw/zinc/83/90/80/393839080.db2.gz RNBSLAWHGRSNCX-ZBOXLXRLSA-N 1 0 292.335 2.587 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109543938 393879768 /nfs/dbraw/zinc/87/97/68/393879768.db2.gz CLNWHBYDOGIQLZ-JSGCOSHPSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000112209041 393890041 /nfs/dbraw/zinc/89/00/41/393890041.db2.gz DVADYBYKXUKKOC-GFCCVEGCSA-N 1 0 275.352 2.799 20 5 CFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000424368117 393840099 /nfs/dbraw/zinc/84/00/99/393840099.db2.gz OYQULNSWQFQSJA-CHWSQXEVSA-N 1 0 283.759 2.608 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119121115 393914475 /nfs/dbraw/zinc/91/44/75/393914475.db2.gz PCVXVDBXOJMQRY-LLVKDONJSA-N 1 0 297.786 2.632 20 5 CFBDRO C[C@H](O)[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000120597941 393936757 /nfs/dbraw/zinc/93/67/57/393936757.db2.gz YCYBHGDDYQAFBT-WDEREUQCSA-N 1 0 298.770 2.841 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000430208256 393967702 /nfs/dbraw/zinc/96/77/02/393967702.db2.gz AZNKCHPCWWBNLI-VXGBXAGGSA-N 1 0 276.336 2.835 20 5 CFBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430208818 393967857 /nfs/dbraw/zinc/96/78/57/393967857.db2.gz PLQYKKRDGIIVLY-UHFFFAOYSA-N 1 0 296.367 2.708 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC1(C)C ZINC000430218875 393969709 /nfs/dbraw/zinc/96/97/09/393969709.db2.gz MTAJDDVREOYDJZ-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000430228253 393970473 /nfs/dbraw/zinc/97/04/73/393970473.db2.gz RRTJREXMMNKIFG-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000349972921 393974690 /nfs/dbraw/zinc/97/46/90/393974690.db2.gz UQRXIEPAHWTLLD-ZBFHGGJFSA-N 1 0 290.363 2.904 20 5 CFBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000430540499 393991835 /nfs/dbraw/zinc/99/18/35/393991835.db2.gz GUPXPINSXBSHCJ-ZDUSSCGKSA-N 1 0 283.347 2.539 20 5 CFBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000125616835 394009956 /nfs/dbraw/zinc/00/99/56/394009956.db2.gz NUMJHZYQDCQWCQ-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO CC[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000125708881 394011245 /nfs/dbraw/zinc/01/12/45/394011245.db2.gz UZUMRAUFEUSYAK-GFCCVEGCSA-N 1 0 291.351 2.574 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N[C@H]1CC[NH2+]C1 ZINC000420150944 394086129 /nfs/dbraw/zinc/08/61/29/394086129.db2.gz LSFAFEZARNUNSN-ZETCQYMHSA-N 1 0 276.123 2.675 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000420201290 394093098 /nfs/dbraw/zinc/09/30/98/394093098.db2.gz NGIAFDXVAGZOHX-SNVBAGLBSA-N 1 0 288.351 2.719 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000420273670 394112035 /nfs/dbraw/zinc/11/20/35/394112035.db2.gz FBPCDZBOIATGLS-WCBMZHEXSA-N 1 0 284.747 2.573 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420277607 394113614 /nfs/dbraw/zinc/11/36/14/394113614.db2.gz INVOGARULGOKDR-NEPJUHHUSA-N 1 0 263.341 2.833 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420938678 394130879 /nfs/dbraw/zinc/13/08/79/394130879.db2.gz KXKYGCJVERAKED-UPJWGTAASA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000285144364 394139796 /nfs/dbraw/zinc/13/97/96/394139796.db2.gz OTZNOOYDDPSNLD-MBNYWOFBSA-N 1 0 278.352 2.918 20 5 CFBDRO Cc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000360068208 394145594 /nfs/dbraw/zinc/14/55/94/394145594.db2.gz ZUKGIMBLXPIWSO-HNNXBMFYSA-N 1 0 295.358 2.819 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CC1 ZINC000135260349 394215595 /nfs/dbraw/zinc/21/55/95/394215595.db2.gz WSCSHRXKUOTVLL-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000289474377 394218481 /nfs/dbraw/zinc/21/84/81/394218481.db2.gz DRLUWGQROZWEIL-CYBMUJFWSA-N 1 0 279.384 2.805 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139851 394227058 /nfs/dbraw/zinc/22/70/58/394227058.db2.gz LYRJHXCQFZOKOF-XEZPLFJOSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC1CC1 ZINC000449143580 394227728 /nfs/dbraw/zinc/22/77/28/394227728.db2.gz ICWJEDLATGTLDM-LBPRGKRZSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cscn1 ZINC000449171844 394241103 /nfs/dbraw/zinc/24/11/03/394241103.db2.gz UYYWGMRIYOCIIB-NSHDSACASA-N 1 0 291.376 2.815 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000449174087 394241403 /nfs/dbraw/zinc/24/14/03/394241403.db2.gz HFNZGRVRNQBYRQ-LBPRGKRZSA-N 1 0 273.336 2.654 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057647 195970360 /nfs/dbraw/zinc/97/03/60/195970360.db2.gz KPWWPESISCPIQE-NEPJUHHUSA-N 1 0 295.383 2.626 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449209541 394253233 /nfs/dbraw/zinc/25/32/33/394253233.db2.gz UUSHNSRUPKELJS-STQMWFEESA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCCC1 ZINC000449218217 394254875 /nfs/dbraw/zinc/25/48/75/394254875.db2.gz GJTAPYBPHKTLTB-CQSZACIVSA-N 1 0 291.395 2.601 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccon1 ZINC000449235204 394262276 /nfs/dbraw/zinc/26/22/76/394262276.db2.gz FQAFMIUPHZLEMJ-QWRGUYRKSA-N 1 0 275.308 2.865 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000449245649 394265773 /nfs/dbraw/zinc/26/57/73/394265773.db2.gz BSVDLOROYCQJJB-MCIONIFRSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423176643 394272933 /nfs/dbraw/zinc/27/29/33/394272933.db2.gz HMYNKVPETODBOA-LBPRGKRZSA-N 1 0 277.368 2.907 20 5 CFBDRO CC[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000449539203 394280324 /nfs/dbraw/zinc/28/03/24/394280324.db2.gz IEIVBDVOUOWZQA-LFIVMHCDSA-N 1 0 278.352 2.747 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292559 394281858 /nfs/dbraw/zinc/28/18/58/394281858.db2.gz ZHBLDEDSDAVPNS-MFKMUULPSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1ccc([C@H](C)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423516080 394287973 /nfs/dbraw/zinc/28/79/73/394287973.db2.gz AOTKIOOQUUFSGL-LBPRGKRZSA-N 1 0 277.368 2.696 20 5 CFBDRO C[C@H](O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000451057897 394352550 /nfs/dbraw/zinc/35/25/50/394352550.db2.gz UJOROIFAVVBLOW-NSHDSACASA-N 1 0 266.341 2.581 20 5 CFBDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451293512 394374243 /nfs/dbraw/zinc/37/42/43/394374243.db2.gz VVGBDUNUHCZNHI-AWEZNQCLSA-N 1 0 280.372 2.692 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCSC1 ZINC000520333672 394380118 /nfs/dbraw/zinc/38/01/18/394380118.db2.gz RRBNDYMSAQWUOR-LLVKDONJSA-N 1 0 296.392 2.836 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000178314241 394387220 /nfs/dbraw/zinc/38/72/20/394387220.db2.gz KSOUMYSTYNRGQY-ZGFBFQLVSA-N 1 0 276.336 2.874 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000536357382 394555474 /nfs/dbraw/zinc/55/54/74/394555474.db2.gz ZEJLZFXGLYQXEQ-FRRDWIJNSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000543469003 394732526 /nfs/dbraw/zinc/73/25/26/394732526.db2.gz KOQJRLHQUKUUPQ-CMPLNLGQSA-N 1 0 293.367 2.866 20 5 CFBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000546810326 394845184 /nfs/dbraw/zinc/84/51/84/394845184.db2.gz AZINOPRNMPPTKI-ZDUSSCGKSA-N 1 0 284.743 2.595 20 5 CFBDRO COc1cc(C[NH+]2[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000548753012 394950251 /nfs/dbraw/zinc/95/02/51/394950251.db2.gz HRYFFASBMDEGBR-NXEZZACHSA-N 1 0 250.298 2.586 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](OC(F)F)C1 ZINC000558863477 395077996 /nfs/dbraw/zinc/07/79/96/395077996.db2.gz UXFQMQYGVSYVRD-UWVGGRQHSA-N 1 0 286.278 2.969 20 5 CFBDRO C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000557425001 395035560 /nfs/dbraw/zinc/03/55/60/395035560.db2.gz JJFNLJLFZGFXHO-GFCCVEGCSA-N 1 0 293.367 2.504 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000356389426 155250121 /nfs/dbraw/zinc/25/01/21/155250121.db2.gz CISSNIOGTFQCKK-GFCCVEGCSA-N 1 0 270.304 2.639 20 5 CFBDRO Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000343228315 154149095 /nfs/dbraw/zinc/14/90/95/154149095.db2.gz PLQVQKYYTASFBL-UHFFFAOYSA-N 1 0 271.320 2.977 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343386075 154193463 /nfs/dbraw/zinc/19/34/63/154193463.db2.gz MJNXJMNDQWERIQ-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCC2CCCCCC2)c1 ZINC000348099842 154318531 /nfs/dbraw/zinc/31/85/31/154318531.db2.gz WTESQRRPZZFFNT-UHFFFAOYSA-N 1 0 280.372 2.741 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000355735525 155071126 /nfs/dbraw/zinc/07/11/26/155071126.db2.gz DOBNCCZGDCYMPM-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cnc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361258766 156072142 /nfs/dbraw/zinc/07/21/42/156072142.db2.gz AEFYKAYCFACEIR-CHWSQXEVSA-N 1 0 292.383 2.973 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000362951571 156125437 /nfs/dbraw/zinc/12/54/37/156125437.db2.gz MZKKUXAMGYWZRP-ZFWWWQNUSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367056080 156274232 /nfs/dbraw/zinc/27/42/32/156274232.db2.gz VSFFCMMEKVCGQR-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO Cc1ccc(C[N@H+]2CCOCC[C@H]2C)cc1[N+](=O)[O-] ZINC000367699277 156378375 /nfs/dbraw/zinc/37/83/75/156378375.db2.gz HKHGFOJJRODKBV-GFCCVEGCSA-N 1 0 264.325 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000374863220 157166357 /nfs/dbraw/zinc/16/63/57/157166357.db2.gz NTAYTYFHJWZEIP-STQMWFEESA-N 1 0 294.326 2.592 20 5 CFBDRO Cc1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1[N+](=O)[O-] ZINC000375123848 157198383 /nfs/dbraw/zinc/19/83/83/157198383.db2.gz JOBPLJAEBONTDL-UHFFFAOYSA-N 1 0 290.363 2.952 20 5 CFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4csc([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000375742767 157278156 /nfs/dbraw/zinc/27/81/56/157278156.db2.gz MHZJIHGWPTVRJN-NARNDRFESA-N 1 0 294.376 2.512 20 5 CFBDRO CCC[C@](C)(CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344336294 162015673 /nfs/dbraw/zinc/01/56/73/162015673.db2.gz BMQHJCLAVFSPPI-DDJMYBDESA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000344360227 162023168 /nfs/dbraw/zinc/02/31/68/162023168.db2.gz AICTURJARWSREX-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344430345 162042243 /nfs/dbraw/zinc/04/22/43/162042243.db2.gz JROLOXXITBNZMC-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C1CC1 ZINC000344788167 162122365 /nfs/dbraw/zinc/12/23/65/162122365.db2.gz DRSGJKQWNYAHCI-RCLKMUNOSA-N 1 0 290.363 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CCC1 ZINC000344814375 162126637 /nfs/dbraw/zinc/12/66/37/162126637.db2.gz PASIBZUAHRXVCY-MDWZMJQESA-N 1 0 290.363 2.750 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCCC1 ZINC000344818811 162128291 /nfs/dbraw/zinc/12/82/91/162128291.db2.gz FXTDYXFENKROMR-UKTHLTGXSA-N 1 0 290.363 2.893 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCN1C ZINC000344829024 162129749 /nfs/dbraw/zinc/12/97/49/162129749.db2.gz CMIKPVACURJFBA-OVHOFWQVSA-N 1 0 289.379 2.682 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C(C)C ZINC000344882995 162140346 /nfs/dbraw/zinc/14/03/46/162140346.db2.gz RZTADDYXVZKUBM-LRFDDAOPSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000345042059 162167205 /nfs/dbraw/zinc/16/72/05/162167205.db2.gz XPTDUGWZJHIMLU-IZDYIRMOSA-N 1 0 288.347 2.525 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345154537 162188987 /nfs/dbraw/zinc/18/89/87/162188987.db2.gz XJXVDHPWNLRQFE-VXGBXAGGSA-N 1 0 263.341 2.514 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000346169356 162337015 /nfs/dbraw/zinc/33/70/15/162337015.db2.gz QFKKQBUUFLYBLM-STQMWFEESA-N 1 0 277.368 2.509 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000346784396 162515016 /nfs/dbraw/zinc/51/50/16/162515016.db2.gz AYQYTUVKTKCMQA-QMTHXVAHSA-N 1 0 298.770 2.948 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000347183450 162620987 /nfs/dbraw/zinc/62/09/87/162620987.db2.gz XDDXQAQRHJUSHT-CYBMUJFWSA-N 1 0 295.770 2.575 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349850532 163026364 /nfs/dbraw/zinc/02/63/64/163026364.db2.gz FROUJLGLTGCLAG-IFLORULSSA-N 1 0 276.336 2.525 20 5 CFBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350037292 163051811 /nfs/dbraw/zinc/05/18/11/163051811.db2.gz NALWLVDGGAWQRO-ZFWWWQNUSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1cnn(C)c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352763008 163228268 /nfs/dbraw/zinc/22/82/68/163228268.db2.gz GBISXZZBMNHNIM-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO Cc1cn[nH]c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000352811110 163239809 /nfs/dbraw/zinc/23/98/09/163239809.db2.gz QLXOCHBSIVMUHX-UHFFFAOYSA-N 1 0 288.351 2.739 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353447329 163368628 /nfs/dbraw/zinc/36/86/28/163368628.db2.gz JPMDCPDMAHBKKK-WCQYABFASA-N 1 0 293.367 2.636 20 5 CFBDRO COc1ccncc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353610661 163406415 /nfs/dbraw/zinc/40/64/15/163406415.db2.gz WBVSBLKRAIWCIO-GQCTYLIASA-N 1 0 299.330 2.801 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000186798337 287057082 /nfs/dbraw/zinc/05/70/82/287057082.db2.gz ZEKVCHLBOXNNCB-LERXQTSPSA-N 1 0 264.325 2.549 20 5 CFBDRO CC[C@@H]([NH2+]CCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000284506735 196072370 /nfs/dbraw/zinc/07/23/70/196072370.db2.gz YBYCIQJAWFGHLP-CQSZACIVSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000020127926 171013688 /nfs/dbraw/zinc/01/36/88/171013688.db2.gz OEILMWXTSXZQAT-NSHDSACASA-N 1 0 257.293 2.841 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000020140519 171026741 /nfs/dbraw/zinc/02/67/41/171026741.db2.gz SFHVVTQPOVFKAH-LLVKDONJSA-N 1 0 257.293 2.841 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000020141409 171027636 /nfs/dbraw/zinc/02/76/36/171027636.db2.gz CYRPCOMPTMYVRO-LLVKDONJSA-N 1 0 257.293 2.841 20 5 CFBDRO CCC[NH+]1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000020190044 171056779 /nfs/dbraw/zinc/05/67/79/171056779.db2.gz YMMOESJRYNPXMF-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1F ZINC000020474749 171218544 /nfs/dbraw/zinc/21/85/44/171218544.db2.gz HOHXHTSZNXLLOV-UHFFFAOYSA-N 1 0 269.320 2.734 20 5 CFBDRO CC(C)[NH+](CCNc1ncccc1[N+](=O)[O-])C(C)C ZINC000022152166 171358915 /nfs/dbraw/zinc/35/89/15/171358915.db2.gz DSUNJYDFURJIMB-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284947529 196162432 /nfs/dbraw/zinc/16/24/32/196162432.db2.gz WVIACYRIIIOCMA-HUUCEWRRSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284947539 196162502 /nfs/dbraw/zinc/16/25/02/196162502.db2.gz WVIACYRIIIOCMA-LSDHHAIUSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCn2ccnc2)c1 ZINC000035368257 172159473 /nfs/dbraw/zinc/15/94/73/172159473.db2.gz MQOWNZDNFPCYSD-UHFFFAOYSA-N 1 0 294.742 2.625 20 5 CFBDRO CCSCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285382174 196267516 /nfs/dbraw/zinc/26/75/16/196267516.db2.gz WLAWGQUTBAXDBL-SNVBAGLBSA-N 1 0 283.397 2.971 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC000285624386 196348231 /nfs/dbraw/zinc/34/82/31/196348231.db2.gz QVZPXJXCPGJHDW-YPMHNXCESA-N 1 0 295.408 2.715 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285688207 196367400 /nfs/dbraw/zinc/36/74/00/196367400.db2.gz VGRDAGNURLGZIZ-CQSZACIVSA-N 1 0 264.325 2.644 20 5 CFBDRO CC[C@@H]([NH2+]C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037266985 173076584 /nfs/dbraw/zinc/07/65/84/173076584.db2.gz MRJINEIMAKKEOR-OAHLLOKOSA-N 1 0 277.368 2.730 20 5 CFBDRO CCC[C@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285715968 196376283 /nfs/dbraw/zinc/37/62/83/196376283.db2.gz WRCSAAUXGLPUSE-HNNXBMFYSA-N 1 0 294.351 2.522 20 5 CFBDRO COC(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037415848 173192693 /nfs/dbraw/zinc/19/26/93/173192693.db2.gz IFAUQQIUJXNRHX-NSHDSACASA-N 1 0 280.324 2.507 20 5 CFBDRO C[NH2+]C[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000040593238 174347410 /nfs/dbraw/zinc/34/74/10/174347410.db2.gz GSTNXFALBACUSM-CHWSQXEVSA-N 1 0 277.368 2.587 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000040623988 174356365 /nfs/dbraw/zinc/35/63/65/174356365.db2.gz XBJSLAJTXXAYRM-GFCCVEGCSA-N 1 0 263.341 2.737 20 5 CFBDRO C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669960 174368257 /nfs/dbraw/zinc/36/82/57/174368257.db2.gz OYELYZQANNWXRX-WFASDCNBSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669956 174368300 /nfs/dbraw/zinc/36/83/00/174368300.db2.gz OYELYZQANNWXRX-DOMZBBRYSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672539 174370298 /nfs/dbraw/zinc/37/02/98/174370298.db2.gz KEZKAFYFVMDVRV-OCCSQVGLSA-N 1 0 277.368 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(O)c2)cc1 ZINC000040675897 174373176 /nfs/dbraw/zinc/37/31/76/174373176.db2.gz UCRXBHSGMJTLRN-UHFFFAOYSA-N 1 0 272.304 2.633 20 5 CFBDRO CCc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000040676016 174373926 /nfs/dbraw/zinc/37/39/26/174373926.db2.gz CJNAYSRCHUWKPV-UHFFFAOYSA-N 1 0 291.376 2.946 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044417330 175173270 /nfs/dbraw/zinc/17/32/70/175173270.db2.gz FYRKPDLFTTWEEA-SNVBAGLBSA-N 1 0 281.743 2.897 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534302 175197128 /nfs/dbraw/zinc/19/71/28/175197128.db2.gz UKAZFNOYKOWBAQ-KBPBESRZSA-N 1 0 291.395 2.896 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044690444 175233422 /nfs/dbraw/zinc/23/34/22/175233422.db2.gz LEODKUWDNQVTEJ-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000053237728 175544879 /nfs/dbraw/zinc/54/48/79/175544879.db2.gz MXZKGMQFJBVQNO-CYBMUJFWSA-N 1 0 289.379 2.683 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1C ZINC000071207308 176080771 /nfs/dbraw/zinc/08/07/71/176080771.db2.gz CQFNDGRRDSGXCN-MFKMUULPSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)C1CCCC1 ZINC000071377573 176143114 /nfs/dbraw/zinc/14/31/14/176143114.db2.gz RKYKLBPTSRCPFI-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CC12CC2 ZINC000418089230 228024231 /nfs/dbraw/zinc/02/42/31/228024231.db2.gz BTIIYLAOYOCOFA-HSBHDXMMSA-N 1 0 258.321 2.998 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC23CC3)c(F)c1 ZINC000418101840 228042772 /nfs/dbraw/zinc/04/27/72/228042772.db2.gz TZWKYOZRCUOUTA-JTQLQIEISA-N 1 0 250.273 2.624 20 5 CFBDRO O=[N+]([O-])c1ncccc1NCC1C[NH+](Cc2ccccc2)C1 ZINC000716221888 782031111 /nfs/dbraw/zinc/03/11/11/782031111.db2.gz OKEHNLXVVOHJSH-UHFFFAOYSA-N 1 0 298.346 2.534 20 5 CFBDRO O=[N+]([O-])c1ccnc(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC000716223437 782031268 /nfs/dbraw/zinc/03/12/68/782031268.db2.gz VGSHPDHEHCADPI-UHFFFAOYSA-N 1 0 298.346 2.534 20 5 CFBDRO CCN(Cc1cnn(C)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000195518991 270254499 /nfs/dbraw/zinc/25/44/99/270254499.db2.gz INJOGWKEPBQMNV-UHFFFAOYSA-N 1 0 288.351 2.659 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517756900 260189219 /nfs/dbraw/zinc/18/92/19/260189219.db2.gz LJAHRGOUJNKDOD-OUJBWJOFSA-N 1 0 264.325 2.595 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312854530 260213038 /nfs/dbraw/zinc/21/30/38/260213038.db2.gz WOLSHGUHNSPVCQ-MNOVXSKESA-N 1 0 281.331 2.937 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313110907 260249797 /nfs/dbraw/zinc/24/97/97/260249797.db2.gz FABYQSYOQDSYFD-MFKMUULPSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000311945164 260259161 /nfs/dbraw/zinc/25/91/61/260259161.db2.gz IMBKZGBVXCYWCS-SNVBAGLBSA-N 1 0 269.320 2.794 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CCCC2)cc1 ZINC000313249305 260272114 /nfs/dbraw/zinc/27/21/14/260272114.db2.gz HFKVUCLEXVAULX-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000517946232 260324255 /nfs/dbraw/zinc/32/42/55/260324255.db2.gz ZOPJBTIEYXCQHE-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCCC[C@@H]1O)C2 ZINC000518192451 260352780 /nfs/dbraw/zinc/35/27/80/260352780.db2.gz KAUCHTFIKSSFDE-CJNGLKHVSA-N 1 0 290.363 2.504 20 5 CFBDRO C[C@H]([NH2+]CCCc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000518211190 260357122 /nfs/dbraw/zinc/35/71/22/260357122.db2.gz CVJCKRNYBFDFRQ-LBPRGKRZSA-N 1 0 288.351 2.612 20 5 CFBDRO COc1ccc(C[NH2+]CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000308511274 260387091 /nfs/dbraw/zinc/38/70/91/260387091.db2.gz HPEKGCFEYXWGSO-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000161728035 261142929 /nfs/dbraw/zinc/14/29/29/261142929.db2.gz BJOIHOINABTAGV-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000516663333 261671426 /nfs/dbraw/zinc/67/14/26/261671426.db2.gz LQGOGRBYKGPAFL-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000391192302 262387076 /nfs/dbraw/zinc/38/70/76/262387076.db2.gz WMPMYNHDILNPKP-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CCCO)CC2)cc1 ZINC000272903164 263009865 /nfs/dbraw/zinc/00/98/65/263009865.db2.gz GJNRIDRODBSQEG-UHFFFAOYSA-N 1 0 292.379 2.622 20 5 CFBDRO CS[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296212355 270284738 /nfs/dbraw/zinc/28/47/38/270284738.db2.gz JSGBAPGWIOEZSP-CYBMUJFWSA-N 1 0 266.366 2.575 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316113789 270293882 /nfs/dbraw/zinc/29/38/82/270293882.db2.gz FNVXFNSQXKFRAC-LSDHHAIUSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316198916 270294075 /nfs/dbraw/zinc/29/40/75/270294075.db2.gz PFPZXKNOLQMXSI-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1 ZINC000397921846 270320528 /nfs/dbraw/zinc/32/05/28/270320528.db2.gz IAYMXBBZWVNITK-APPZFPTMSA-N 1 0 258.368 2.640 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000399749823 270330150 /nfs/dbraw/zinc/33/01/50/270330150.db2.gz DQKIKKFEDHFQCC-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1 ZINC000399789287 270330175 /nfs/dbraw/zinc/33/01/75/270330175.db2.gz ROCRBWAPTOWTRX-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414495460 270331226 /nfs/dbraw/zinc/33/12/26/270331226.db2.gz HEGASVPCPKGFCO-JQWIXIFHSA-N 1 0 266.366 2.887 20 5 CFBDRO CO[C@@](C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000515670700 270374463 /nfs/dbraw/zinc/37/44/63/270374463.db2.gz UPUKLSQFBRGCCY-HOCLYGCPSA-N 1 0 290.363 2.987 20 5 CFBDRO CN(CCC[NH+](C)C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000517010735 270394995 /nfs/dbraw/zinc/39/49/95/270394995.db2.gz GLKQXJGFTUULCD-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC(F)F ZINC000530407290 270790576 /nfs/dbraw/zinc/79/05/76/270790576.db2.gz MUGZBHWGYWJVLX-SNVBAGLBSA-N 1 0 288.294 2.836 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532475943 270860539 /nfs/dbraw/zinc/86/05/39/270860539.db2.gz SWQUUOFVUMASOC-JQWIXIFHSA-N 1 0 266.341 2.836 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000450859170 273716489 /nfs/dbraw/zinc/71/64/89/273716489.db2.gz MJRYRFFCEZKIRR-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296144308 273744267 /nfs/dbraw/zinc/74/42/67/273744267.db2.gz XKYXCIJTYIPOTD-JTQLQIEISA-N 1 0 298.774 2.564 20 5 CFBDRO C[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276690693 273870558 /nfs/dbraw/zinc/87/05/58/273870558.db2.gz WFLWGYKJTSTNBC-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417329033 274075910 /nfs/dbraw/zinc/07/59/10/274075910.db2.gz JGLAQLJFWIQWRP-ABAIWWIYSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000278822617 274225410 /nfs/dbraw/zinc/22/54/10/274225410.db2.gz SOQAFBYIDRLUKZ-XHDPSFHLSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000375583537 274292776 /nfs/dbraw/zinc/29/27/76/274292776.db2.gz NZXQVTOHRRLURL-SNVBAGLBSA-N 1 0 296.396 2.504 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000331417851 274303241 /nfs/dbraw/zinc/30/32/41/274303241.db2.gz DJNGOVAPHQZTGW-NXEZZACHSA-N 1 0 274.324 2.701 20 5 CFBDRO C[C@@H]1CSCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000172594272 274381827 /nfs/dbraw/zinc/38/18/27/274381827.db2.gz GZHOLGHSMHMDTO-LLVKDONJSA-N 1 0 266.366 2.575 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433074009 275862329 /nfs/dbraw/zinc/86/23/29/275862329.db2.gz HNEWLMODQSXBHI-IINYFYTJSA-N 1 0 276.336 2.696 20 5 CFBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357045 276033576 /nfs/dbraw/zinc/03/35/76/276033576.db2.gz WMMCIWVWHJKZHJ-UKRRQHHQSA-N 1 0 278.352 2.888 20 5 CFBDRO CCC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000296364251 276045862 /nfs/dbraw/zinc/04/58/62/276045862.db2.gz SCHSTPQULFOVQP-HNNXBMFYSA-N 1 0 278.352 2.720 20 5 CFBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331079948 276050950 /nfs/dbraw/zinc/05/09/50/276050950.db2.gz WZRYVXSUYVJHNX-RYUDHWBXSA-N 1 0 280.372 2.729 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000227084076 276163543 /nfs/dbraw/zinc/16/35/43/276163543.db2.gz REAAPTVSHJXWOE-NWANDNLSSA-N 1 0 290.363 2.888 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(F)cc1[N+](=O)[O-] ZINC000301592818 276234287 /nfs/dbraw/zinc/23/42/87/276234287.db2.gz UNOPGEFLWGNGDP-OLZOCXBDSA-N 1 0 293.342 2.797 20 5 CFBDRO CCOc1cccc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302108754 276498745 /nfs/dbraw/zinc/49/87/45/276498745.db2.gz OQGFCSKDWSJBFC-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000079735826 276628474 /nfs/dbraw/zinc/62/84/74/276628474.db2.gz ZHKPZSCVTHCXCK-CMPLNLGQSA-N 1 0 252.314 2.670 20 5 CFBDRO C[NH+](C)CC1(CNc2ncc([N+](=O)[O-])s2)CCCC1 ZINC000192530372 276780677 /nfs/dbraw/zinc/78/06/77/276780677.db2.gz SDOUJIDSGGYKSW-UHFFFAOYSA-N 1 0 284.385 2.585 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000129165660 277070129 /nfs/dbraw/zinc/07/01/29/277070129.db2.gz FONZXADCSPTZQT-YPMHNXCESA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292928650 277072834 /nfs/dbraw/zinc/07/28/34/277072834.db2.gz ZBZTVLXHJBDGPD-OAHLLOKOSA-N 1 0 293.342 2.656 20 5 CFBDRO COc1cccc(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277146651 277455790 /nfs/dbraw/zinc/45/57/90/277455790.db2.gz KLFFOWQOLQENJE-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086696838 277570501 /nfs/dbraw/zinc/57/05/01/277570501.db2.gz VLZWPIUZNDLLQT-SMDDNHRTSA-N 1 0 266.341 2.916 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553819 278170733 /nfs/dbraw/zinc/17/07/33/278170733.db2.gz ZFKNFRKANAZMAK-NEPJUHHUSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000271823031 278174739 /nfs/dbraw/zinc/17/47/39/278174739.db2.gz NGECFADUCZEXGM-CYBMUJFWSA-N 1 0 292.379 2.873 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000217628728 278274798 /nfs/dbraw/zinc/27/47/98/278274798.db2.gz RLGYINIOSYPFMM-MAZHCROVSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536035 278279384 /nfs/dbraw/zinc/27/93/84/278279384.db2.gz YXXQFPZEUDVEQK-XHDPSFHLSA-N 1 0 277.368 2.763 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000222672584 278283578 /nfs/dbraw/zinc/28/35/78/278283578.db2.gz OYOGIQJDSHLHBU-NZVBXONLSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCCC1 ZINC000449331779 278298838 /nfs/dbraw/zinc/29/88/38/278298838.db2.gz AWYNVRYXIVNHBS-SWLSCSKDSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453289095 278368723 /nfs/dbraw/zinc/36/87/23/278368723.db2.gz HWSHESZZXNRLIC-RTXFEEFZSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261644421 278552912 /nfs/dbraw/zinc/55/29/12/278552912.db2.gz MXAOSDAMDQVJLF-MFKMUULPSA-N 1 0 297.786 2.807 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000296382276 288061395 /nfs/dbraw/zinc/06/13/95/288061395.db2.gz JQQCKROSSIZTRB-UWJYBYFXSA-N 1 0 288.294 2.650 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058160 279314631 /nfs/dbraw/zinc/31/46/31/279314631.db2.gz GWTAKKMIAHJFOG-DZGCQCFKSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000449231857 279382384 /nfs/dbraw/zinc/38/23/84/279382384.db2.gz FXPKXSASQNCUBE-UMVBOHGHSA-N 1 0 291.395 2.598 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423386396 279516081 /nfs/dbraw/zinc/51/60/81/279516081.db2.gz RUJKGSAAYLWTFV-NEPJUHHUSA-N 1 0 265.357 2.552 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311511285 279919740 /nfs/dbraw/zinc/91/97/40/279919740.db2.gz SJWXVRBVFWTKLV-JOYOIKCWSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]1SCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118415784 280090761 /nfs/dbraw/zinc/09/07/61/280090761.db2.gz AMDOJGITLYVHAJ-WDEREUQCSA-N 1 0 266.366 2.921 20 5 CFBDRO CC[C@@H](N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423573813 280197325 /nfs/dbraw/zinc/19/73/25/280197325.db2.gz ZQCJNNQBMJPUKU-DZGCQCFKSA-N 1 0 277.368 2.778 20 5 CFBDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000130658937 280442752 /nfs/dbraw/zinc/44/27/52/280442752.db2.gz IZPBUOYJSJAGHT-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301077053 280554268 /nfs/dbraw/zinc/55/42/68/280554268.db2.gz GHANWLTUDAYQCU-HNNXBMFYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cc(N2CC[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450608321 280567499 /nfs/dbraw/zinc/56/74/99/280567499.db2.gz YWCGKIHMBRAQTQ-SNVBAGLBSA-N 1 0 275.283 3.000 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000189352970 280872523 /nfs/dbraw/zinc/87/25/23/280872523.db2.gz XTDFCNGBUBTVMK-HUUCEWRRSA-N 1 0 292.379 2.967 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000186788531 280955630 /nfs/dbraw/zinc/95/56/30/280955630.db2.gz FOUQEIRDXNIRDK-RRFJBIMHSA-N 1 0 278.352 2.939 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249035422 281045124 /nfs/dbraw/zinc/04/51/24/281045124.db2.gz SGJFLEYRAIUEKO-UVBJJODRSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249541876 281062072 /nfs/dbraw/zinc/06/20/72/281062072.db2.gz FELNTLFELRUDSY-MLGOLLRUSA-N 1 0 292.379 2.886 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[C@H]1O ZINC000252928673 281078746 /nfs/dbraw/zinc/07/87/46/281078746.db2.gz RAUWWFKPNOXFIF-ZIAGYGMSSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000294909250 281140378 /nfs/dbraw/zinc/14/03/78/281140378.db2.gz XYCAPACYPSAQFK-ZDUSSCGKSA-N 1 0 294.395 2.914 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000300134148 281146559 /nfs/dbraw/zinc/14/65/59/281146559.db2.gz ATVAPWXVVLJOLY-GNXNZQSNSA-N 1 0 278.352 2.949 20 5 CFBDRO Cc1cc(N2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359839836 281182732 /nfs/dbraw/zinc/18/27/32/281182732.db2.gz LQNVGYZGCWJPKX-UHFFFAOYSA-N 1 0 281.331 2.573 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000398099913 281204756 /nfs/dbraw/zinc/20/47/56/281204756.db2.gz HGKQVWIZPMAPST-DGCLKSJQSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763224 281209495 /nfs/dbraw/zinc/20/94/95/281209495.db2.gz WQPNUKZWCWETQE-QWRGUYRKSA-N 1 0 298.770 2.699 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCCC2)CC1 ZINC000301144718 281259708 /nfs/dbraw/zinc/25/97/08/281259708.db2.gz AEFLAWXHWQZPCF-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459454998 281265337 /nfs/dbraw/zinc/26/53/37/281265337.db2.gz DRJGRZMFZKDGOB-TXEJJXNPSA-N 1 0 295.358 2.648 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2c(OC)cccc2[N+](=O)[O-])C1 ZINC000515477755 281293973 /nfs/dbraw/zinc/29/39/73/281293973.db2.gz CNPVDOYURCAACH-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1 ZINC000520229165 281309493 /nfs/dbraw/zinc/30/94/93/281309493.db2.gz CTLMVKRATDLRJM-VXGBXAGGSA-N 1 0 252.289 2.965 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000527198002 281326172 /nfs/dbraw/zinc/32/61/72/281326172.db2.gz UCXPINIATOJUAI-GHMZBOCLSA-N 1 0 252.314 2.589 20 5 CFBDRO C[C@H](NC(=O)CCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000557425002 281962928 /nfs/dbraw/zinc/96/29/28/281962928.db2.gz JJFNLJLFZGFXHO-LBPRGKRZSA-N 1 0 293.367 2.504 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000557539621 281965472 /nfs/dbraw/zinc/96/54/72/281965472.db2.gz FMXGAEYLJRAIAQ-WOPDTQHZSA-N 1 0 266.341 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000558251523 281978221 /nfs/dbraw/zinc/97/82/21/281978221.db2.gz ZVTMOOQOJOSINN-HUUCEWRRSA-N 1 0 276.336 2.752 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000558251522 281978558 /nfs/dbraw/zinc/97/85/58/281978558.db2.gz ZVTMOOQOJOSINN-GJZGRUSLSA-N 1 0 276.336 2.752 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc([N+](=O)[O-])cc1 ZINC000151804323 289831498 /nfs/dbraw/zinc/83/14/98/289831498.db2.gz QMCVSTNPWKRPCL-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC1CCOCC1)C2 ZINC000562409957 290041459 /nfs/dbraw/zinc/04/14/59/290041459.db2.gz SQGIXUNZNQYRDL-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000563417794 290147076 /nfs/dbraw/zinc/14/70/76/290147076.db2.gz MHVXDFLRNOWEGE-YWPYICTPSA-N 1 0 290.363 2.987 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000564039977 290189492 /nfs/dbraw/zinc/18/94/92/290189492.db2.gz WEECXSDFBCMFGJ-DDTOSNHZSA-N 1 0 264.325 2.731 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217556 290283231 /nfs/dbraw/zinc/28/32/31/290283231.db2.gz MFQUUCHWYJCACP-WFASDCNBSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420365754 301869609 /nfs/dbraw/zinc/86/96/09/301869609.db2.gz LMJQWRLFDUSATB-LMOYCYGVSA-N 1 0 291.395 2.940 20 5 CFBDRO Cc1cnc(NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000308663342 302363302 /nfs/dbraw/zinc/36/33/02/302363302.db2.gz BGZMCGQJLGMVTM-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO [NH3+]CCCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000336726434 303378091 /nfs/dbraw/zinc/37/80/91/303378091.db2.gz ZDPIISQDGPDNED-UHFFFAOYSA-N 1 0 299.374 2.946 20 5 CFBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162539049 322366011 /nfs/dbraw/zinc/36/60/11/322366011.db2.gz RKUYLLNPTGAFEI-OLZOCXBDSA-N 1 0 280.372 2.596 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163600559 322377476 /nfs/dbraw/zinc/37/74/76/322377476.db2.gz XGRBLVWKFIRUTE-WCQYABFASA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000166261496 322386099 /nfs/dbraw/zinc/38/60/99/322386099.db2.gz ZQFFMRFGHYXOFA-LRDDRELGSA-N 1 0 291.395 2.894 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166794361 322387406 /nfs/dbraw/zinc/38/74/06/322387406.db2.gz APRCTNLQHISVNU-OLZOCXBDSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166794134 322387600 /nfs/dbraw/zinc/38/76/00/322387600.db2.gz APRCTNLQHISVNU-STQMWFEESA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@@H](COC)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569848723 322500689 /nfs/dbraw/zinc/50/06/89/322500689.db2.gz WLVGAGAAUXPLCN-LBPRGKRZSA-N 1 0 291.351 2.633 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN(C)C ZINC000570345843 322527773 /nfs/dbraw/zinc/52/77/73/322527773.db2.gz WUAIUIHTPQYLBH-FSBNRTBOSA-N 1 0 277.368 2.538 20 5 CFBDRO CO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000570463318 322534285 /nfs/dbraw/zinc/53/42/85/322534285.db2.gz YCGWHLWRVXJZTJ-UKRRQHHQSA-N 1 0 278.352 2.843 20 5 CFBDRO COc1ccc(OCC[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000573104791 322644416 /nfs/dbraw/zinc/64/44/16/322644416.db2.gz DWWOYPGUCOIJFZ-AWEZNQCLSA-N 1 0 294.351 2.760 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCOC1 ZINC000573137095 322645828 /nfs/dbraw/zinc/64/58/28/322645828.db2.gz DTOVJCUWKKOQGO-FZMZJTMJSA-N 1 0 276.336 2.598 20 5 CFBDRO Cc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000573227320 322648958 /nfs/dbraw/zinc/64/89/58/322648958.db2.gz HIOMEWJDUNDUKQ-HNNXBMFYSA-N 1 0 293.342 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccnc3)c2c1 ZINC000573230462 322649239 /nfs/dbraw/zinc/64/92/39/322649239.db2.gz MBSVEQXHKTVBET-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO C[C@@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000574872783 322709321 /nfs/dbraw/zinc/70/93/21/322709321.db2.gz ATYHZJSFOQDIHE-CVEARBPZSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCSC1 ZINC000574927175 322711864 /nfs/dbraw/zinc/71/18/64/322711864.db2.gz ZKALUZOZAOXXLU-BXKDBHETSA-N 1 0 264.350 2.677 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182294319 323854086 /nfs/dbraw/zinc/85/40/86/323854086.db2.gz VJGAZKOJBGNKNJ-LSDHHAIUSA-N 1 0 278.352 2.685 20 5 CFBDRO COC[C@@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189667501 324031676 /nfs/dbraw/zinc/03/16/76/324031676.db2.gz UZYMMTBRESSLEM-LBPRGKRZSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1ccoc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000383398130 324439085 /nfs/dbraw/zinc/43/90/85/324439085.db2.gz WCUMCOWEZKJLCL-UHFFFAOYSA-N 1 0 276.292 2.665 20 5 CFBDRO CO[C@H]([C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000388321103 324504485 /nfs/dbraw/zinc/50/44/85/324504485.db2.gz XIEJDNVEYUCOPX-PRHODGIISA-N 1 0 270.354 2.559 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccno1 ZINC000577610383 324758116 /nfs/dbraw/zinc/75/81/16/324758116.db2.gz GPCPECSDLILMEO-NSHDSACASA-N 1 0 275.308 2.694 20 5 CFBDRO COCC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000578442557 324852280 /nfs/dbraw/zinc/85/22/80/324852280.db2.gz XLVUHBMTSTWEAX-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CCC[C@H](CC)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579827546 324982888 /nfs/dbraw/zinc/98/28/88/324982888.db2.gz PJEYYODUAUXTHA-GXTWGEPZSA-N 1 0 296.367 2.503 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC000580193774 325014900 /nfs/dbraw/zinc/01/49/00/325014900.db2.gz UCESPPURRNNYIC-RYUDHWBXSA-N 1 0 252.289 2.965 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449402 325037845 /nfs/dbraw/zinc/03/78/45/325037845.db2.gz OWVKCGXAECSZNA-FZMZJTMJSA-N 1 0 278.352 2.580 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000582915521 325245322 /nfs/dbraw/zinc/24/53/22/325245322.db2.gz PFTXJOIVZWXFRD-LALPHHSUSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000583082155 325258841 /nfs/dbraw/zinc/25/88/41/325258841.db2.gz HXNRMTQVNKDGAO-HOCLYGCPSA-N 1 0 290.363 2.986 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000583844877 325314051 /nfs/dbraw/zinc/31/40/51/325314051.db2.gz JRAUWGCJDFSKIT-RYUDHWBXSA-N 1 0 275.352 2.940 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1O)CCCC2 ZINC000584042466 325326379 /nfs/dbraw/zinc/32/63/79/325326379.db2.gz NLPPJGUGHOWVQT-ARFHVFGLSA-N 1 0 290.363 2.865 20 5 CFBDRO C[NH2+]CCSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584289725 325344165 /nfs/dbraw/zinc/34/41/65/325344165.db2.gz FLWNTMYZZAACOF-UHFFFAOYSA-N 1 0 293.348 2.702 20 5 CFBDRO CC[N@H+](CCN[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000156634097 521085084 /nfs/dbraw/zinc/08/50/84/521085084.db2.gz SNRYKIUEUZQDIJ-CYBMUJFWSA-N 1 0 279.384 2.976 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000054128366 519627407 /nfs/dbraw/zinc/62/74/07/519627407.db2.gz PHULOYGSINOJLE-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000361033559 519836350 /nfs/dbraw/zinc/83/63/50/519836350.db2.gz TUNBKMFMBWNTLL-RYUDHWBXSA-N 1 0 280.368 2.967 20 5 CFBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361239647 520291672 /nfs/dbraw/zinc/29/16/72/520291672.db2.gz WSDQYZKQGFCVFH-DYLGSBMWSA-N 1 0 276.336 2.719 20 5 CFBDRO CC1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000174258133 520378634 /nfs/dbraw/zinc/37/86/34/520378634.db2.gz XZGUUPVJGXSFBI-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])cc1C ZINC000190966622 520594894 /nfs/dbraw/zinc/59/48/94/520594894.db2.gz XRCOBJXVMYNHGO-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO CC[N@H+](CCNc1cc(OC)ccc1[N+](=O)[O-])C(C)C ZINC000338661487 521083585 /nfs/dbraw/zinc/08/35/85/521083585.db2.gz HTLRZWJSGOEQRY-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444808 522045289 /nfs/dbraw/zinc/04/52/89/522045289.db2.gz ZMIDNWBGMMXMLA-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067949205 522088686 /nfs/dbraw/zinc/08/86/86/522088686.db2.gz YGJUOXHVIMWETM-CYBMUJFWSA-N 1 0 275.308 2.903 20 5 CFBDRO COC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000231884722 522690320 /nfs/dbraw/zinc/69/03/20/522690320.db2.gz LGVQXJCBHQCCHP-UHFFFAOYSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1cccc([N+](=O)[O-])c1 ZINC000160327708 522746027 /nfs/dbraw/zinc/74/60/27/522746027.db2.gz SJBUUUZLIQEJSV-OCCSQVGLSA-N 1 0 298.408 2.750 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000300240635 522762187 /nfs/dbraw/zinc/76/21/87/522762187.db2.gz UGUBWVORUOPONX-NXEZZACHSA-N 1 0 297.330 2.637 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000311609434 522900396 /nfs/dbraw/zinc/90/03/96/522900396.db2.gz FAHWBHOKXRXBOU-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553779 522909075 /nfs/dbraw/zinc/90/90/75/522909075.db2.gz SQGNKSXFXSSMNP-SWLSCSKDSA-N 1 0 279.384 2.976 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(OC)CC1 ZINC000361526952 522975775 /nfs/dbraw/zinc/97/57/75/522975775.db2.gz DOYCNDWRSRKPTH-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072260 523281497 /nfs/dbraw/zinc/28/14/97/523281497.db2.gz DNPJZYIHTVJSNT-AWEZNQCLSA-N 1 0 280.393 2.965 20 5 CFBDRO CC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072037 523444716 /nfs/dbraw/zinc/44/47/16/523444716.db2.gz UASJQHLMKYSAIU-CQSZACIVSA-N 1 0 296.392 2.801 20 5 CFBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC000076676159 523727933 /nfs/dbraw/zinc/72/79/33/523727933.db2.gz MZKSEODLSNWSOY-UHFFFAOYSA-N 1 0 296.367 2.578 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000234832697 523760387 /nfs/dbraw/zinc/76/03/87/523760387.db2.gz TXOIIYCSCHUOJM-ZIAGYGMSSA-N 1 0 278.352 2.540 20 5 CFBDRO Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000300420239 534748436 /nfs/dbraw/zinc/74/84/36/534748436.db2.gz AHQKVFVJXOFFIB-VXGBXAGGSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@H](CN1CCCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049501359 524333401 /nfs/dbraw/zinc/33/34/01/524333401.db2.gz QTYXFRANHFDXKG-CQSZACIVSA-N 1 0 291.395 2.601 20 5 CFBDRO Cc1ccc(C[NH+]2CCC3(CCO3)CC2)cc1[N+](=O)[O-] ZINC000374375759 524443393 /nfs/dbraw/zinc/44/33/93/524443393.db2.gz AALAWNRPQFPZEV-UHFFFAOYSA-N 1 0 276.336 2.658 20 5 CFBDRO Cc1cccc(NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000338682143 524682946 /nfs/dbraw/zinc/68/29/46/524682946.db2.gz WJAHTWUITVNVBK-CQSZACIVSA-N 1 0 295.408 2.752 20 5 CFBDRO Cc1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000227535113 524699416 /nfs/dbraw/zinc/69/94/16/524699416.db2.gz ARJKSNAJKJEUCD-QWHCGFSZSA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230152463 525053483 /nfs/dbraw/zinc/05/34/83/525053483.db2.gz SOSIBUMSVIEMDJ-RNCFNFMXSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000311764474 525272928 /nfs/dbraw/zinc/27/29/28/525272928.db2.gz GKCJQRSDJATNEH-JTQLQIEISA-N 1 0 267.304 2.548 20 5 CFBDRO Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159608906 525315275 /nfs/dbraw/zinc/31/52/75/525315275.db2.gz OAHFZFAQZKEBOT-NWDGAFQWSA-N 1 0 275.352 2.940 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000050443431 525442285 /nfs/dbraw/zinc/44/22/85/525442285.db2.gz DCPOQMXFIIEYMQ-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172954093 525460653 /nfs/dbraw/zinc/46/06/53/525460653.db2.gz YQRQSRQCHHHNDN-BETUJISGSA-N 1 0 276.336 2.691 20 5 CFBDRO CC(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000264045393 534868325 /nfs/dbraw/zinc/86/83/25/534868325.db2.gz WXRZHNOMRXSTFX-UHFFFAOYSA-N 1 0 291.351 2.695 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230411574 525728354 /nfs/dbraw/zinc/72/83/54/525728354.db2.gz CZRYFUKXBXVUNC-OLZOCXBDSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000310707932 525728532 /nfs/dbraw/zinc/72/85/32/525728532.db2.gz DYPVEXKOOIWNNJ-JOYOIKCWSA-N 1 0 266.366 2.744 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000230897709 525729476 /nfs/dbraw/zinc/72/94/76/525729476.db2.gz MOUBQJGOIQWAGO-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228273995 525934432 /nfs/dbraw/zinc/93/44/32/525934432.db2.gz UBCUEIFFPRPBFT-SRVKXCTJSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000228412611 525940387 /nfs/dbraw/zinc/94/03/87/525940387.db2.gz JLNPPSSMBKENCM-UTUOFQBUSA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228273982 525941747 /nfs/dbraw/zinc/94/17/47/525941747.db2.gz UBCUEIFFPRPBFT-WOPDTQHZSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000339398785 526055461 /nfs/dbraw/zinc/05/54/61/526055461.db2.gz XRCFUNFGEFKKHH-GFCCVEGCSA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH2+]C(C)(C)C)c1 ZINC000088718692 526059269 /nfs/dbraw/zinc/05/92/69/526059269.db2.gz ZZBALCUXZRBPTA-UHFFFAOYSA-N 1 0 251.330 2.703 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)C ZINC000339251450 526160605 /nfs/dbraw/zinc/16/06/05/526160605.db2.gz AGABYXLCLWSEIK-LLVKDONJSA-N 1 0 293.367 2.900 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000269134571 536473612 /nfs/dbraw/zinc/47/36/12/536473612.db2.gz PCAFIPUUGWFIAR-QWHCGFSZSA-N 1 0 295.408 2.572 20 5 CFBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000052048473 526828151 /nfs/dbraw/zinc/82/81/51/526828151.db2.gz WMMSOPFNURVJBI-UHFFFAOYSA-N 1 0 270.292 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000227378213 527348484 /nfs/dbraw/zinc/34/84/84/527348484.db2.gz YLSGSGQUKNXFTN-GOEBONIOSA-N 1 0 290.363 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316732 527355616 /nfs/dbraw/zinc/35/56/16/527355616.db2.gz AKSBDJYYPQCVCK-ZIAGYGMSSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000154430213 527362372 /nfs/dbraw/zinc/36/23/72/527362372.db2.gz QKZJZAWXNUTYTQ-SBJJXXPASA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)cc1C(F)(F)F ZINC000339699809 527364158 /nfs/dbraw/zinc/36/41/58/527364158.db2.gz HNHVWERADWXKJX-UHFFFAOYSA-N 1 0 289.257 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000367551487 527386734 /nfs/dbraw/zinc/38/67/34/527386734.db2.gz KCDLMTRGJRTFEA-CQSZACIVSA-N 1 0 286.335 2.528 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000246297262 527394801 /nfs/dbraw/zinc/39/48/01/527394801.db2.gz PKWAUEJNXGRJNX-HOTGVXAUSA-N 1 0 290.363 2.893 20 5 CFBDRO [NH3+][C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000157432714 527418687 /nfs/dbraw/zinc/41/86/87/527418687.db2.gz FQDNDRLDSAKGPX-GJZGRUSLSA-N 1 0 283.331 2.829 20 5 CFBDRO CC[N@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413083418 527801538 /nfs/dbraw/zinc/80/15/38/527801538.db2.gz JVJINGHXLUPUQV-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO CC(C)c1ccc(CNCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414806973 528100822 /nfs/dbraw/zinc/10/08/22/528100822.db2.gz QUQHATYNAXCFRW-UHFFFAOYSA-N 1 0 265.357 2.545 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000414153186 528103205 /nfs/dbraw/zinc/10/32/05/528103205.db2.gz YRSDHJIANLMPKG-QKCSRTOESA-N 1 0 264.325 2.813 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413312824 528353951 /nfs/dbraw/zinc/35/39/51/528353951.db2.gz QSXGIINZZVPGJM-SNVBAGLBSA-N 1 0 284.335 2.661 20 5 CFBDRO CCOCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000131491110 528694149 /nfs/dbraw/zinc/69/41/49/528694149.db2.gz ZRAWILXXLSVXDZ-OAHLLOKOSA-N 1 0 292.379 2.932 20 5 CFBDRO CCCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000116916476 528844991 /nfs/dbraw/zinc/84/49/91/528844991.db2.gz JVULNCZBYSAOLM-UHFFFAOYSA-N 1 0 288.351 2.534 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000098135138 528942385 /nfs/dbraw/zinc/94/23/85/528942385.db2.gz FTUUERVNXOVFPY-OAHLLOKOSA-N 1 0 278.352 2.984 20 5 CFBDRO CCC([NH3+])(CC)CNCc1ccc([N+](=O)[O-])cc1C ZINC000414803995 528947947 /nfs/dbraw/zinc/94/79/47/528947947.db2.gz DNJPOEMQIIHWAW-UHFFFAOYSA-N 1 0 265.357 2.510 20 5 CFBDRO CCC([NH3+])(CC)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414809345 528948417 /nfs/dbraw/zinc/94/84/17/528948417.db2.gz MGUPFGDMZDNVOO-UHFFFAOYSA-N 1 0 285.775 2.855 20 5 CFBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000430540495 529046328 /nfs/dbraw/zinc/04/63/28/529046328.db2.gz GUPXPINSXBSHCJ-CYBMUJFWSA-N 1 0 283.347 2.539 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449785926 535243032 /nfs/dbraw/zinc/24/30/32/535243032.db2.gz JYBLRBOZOVYYOI-AWEZNQCLSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000459802591 535947948 /nfs/dbraw/zinc/94/79/48/535947948.db2.gz MSHIAZIYAJYGDJ-HONMWMINSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@](C)(CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000268524591 535977575 /nfs/dbraw/zinc/97/75/75/535977575.db2.gz GPGSWZPWSOTNNS-VFADXPBXSA-N 1 0 278.352 2.749 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000263733824 536806928 /nfs/dbraw/zinc/80/69/28/536806928.db2.gz YREBXRIGOWZFMI-CYBMUJFWSA-N 1 0 280.324 2.500 20 5 CFBDRO COC(=O)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754514456 574106495 /nfs/dbraw/zinc/10/64/95/574106495.db2.gz IJCXLQOHZXVQRG-HZMBPMFUSA-N 1 0 292.335 2.587 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000731033567 574108332 /nfs/dbraw/zinc/10/83/32/574108332.db2.gz YQVLQRRCEOQIHE-CQSZACIVSA-N 1 0 295.358 2.696 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209742 574112697 /nfs/dbraw/zinc/11/26/97/574112697.db2.gz YBMWFLIMGONSBW-JTQLQIEISA-N 1 0 292.364 2.711 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000746048507 574132366 /nfs/dbraw/zinc/13/23/66/574132366.db2.gz BBOVBYCHXQXDJF-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000738056820 574157161 /nfs/dbraw/zinc/15/71/61/574157161.db2.gz ZQBRLWFRUJEYJY-UHFFFAOYSA-N 1 0 274.324 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756902195 574272228 /nfs/dbraw/zinc/27/22/28/574272228.db2.gz QVYHSHYUIZPHLB-BXUZGUMPSA-N 1 0 294.326 2.735 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000740887912 574272866 /nfs/dbraw/zinc/27/28/66/574272866.db2.gz HTPHYAQSZATSRF-NSHDSACASA-N 1 0 284.331 2.979 20 5 CFBDRO C[C@@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000749673243 574304750 /nfs/dbraw/zinc/30/47/50/574304750.db2.gz SWUFIPUGCCVUDB-RISCZKNCSA-N 1 0 280.368 2.995 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]2c2ccccc2)c1 ZINC000749693961 574304894 /nfs/dbraw/zinc/30/48/94/574304894.db2.gz WNANCZZNSBOTSD-IXDOHACOSA-N 1 0 298.342 2.774 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000749693957 574305090 /nfs/dbraw/zinc/30/50/90/574305090.db2.gz WNANCZZNSBOTSD-BRWVUGGUSA-N 1 0 298.342 2.774 20 5 CFBDRO CCC(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834579 574305187 /nfs/dbraw/zinc/30/51/87/574305187.db2.gz XSSXVXVLIGWQHB-UHFFFAOYSA-N 1 0 257.677 2.657 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000742380879 574326248 /nfs/dbraw/zinc/32/62/48/574326248.db2.gz RZPGZNXEQUMYHX-ZIAGYGMSSA-N 1 0 278.352 2.808 20 5 CFBDRO CC(=O)OC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000753187284 574399945 /nfs/dbraw/zinc/39/99/45/574399945.db2.gz BTKQDJHROBUFOB-LLVKDONJSA-N 1 0 292.335 2.683 20 5 CFBDRO C[C@H]1CSCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934303838 617993257 /nfs/dbraw/zinc/99/32/57/617993257.db2.gz OPWHZYROPIWLAI-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)c(F)c1 ZINC000934395556 618029603 /nfs/dbraw/zinc/02/96/03/618029603.db2.gz KYHULNOKEFEECW-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO Cc1c(C[N@H+](CCO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000050107053 618080133 /nfs/dbraw/zinc/08/01/33/618080133.db2.gz HSJJXVMSRYXOKZ-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000121251084 617608985 /nfs/dbraw/zinc/60/89/85/617608985.db2.gz WHOAVTNTFUQTGM-GFCCVEGCSA-N 1 0 288.351 2.942 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000097507033 617688218 /nfs/dbraw/zinc/68/82/18/617688218.db2.gz KFQIFVQQSNJSAL-CYBMUJFWSA-N 1 0 278.356 2.794 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC000891821734 617769312 /nfs/dbraw/zinc/76/93/12/617769312.db2.gz LPXVCACXSLDOQM-NSHDSACASA-N 1 0 294.351 2.931 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804678685 617799689 /nfs/dbraw/zinc/79/96/89/617799689.db2.gz PCQPOCFSXYYKSG-AWEZNQCLSA-N 1 0 292.383 2.709 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CCCC2)cc1F ZINC000934010200 617862664 /nfs/dbraw/zinc/86/26/64/617862664.db2.gz WOFPCGBVTSZBCQ-CQSZACIVSA-N 1 0 296.342 2.765 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000934013718 617863321 /nfs/dbraw/zinc/86/33/21/617863321.db2.gz FSWACAWYOAGYKL-CQSZACIVSA-N 1 0 296.342 2.765 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934013716 617863707 /nfs/dbraw/zinc/86/37/07/617863707.db2.gz FSWACAWYOAGYKL-AWEZNQCLSA-N 1 0 296.342 2.765 20 5 CFBDRO CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000812781036 617897581 /nfs/dbraw/zinc/89/75/81/617897581.db2.gz YETWCBMEGHTCDG-LBPRGKRZSA-N 1 0 284.743 2.859 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000892101942 617950003 /nfs/dbraw/zinc/95/00/03/617950003.db2.gz OYEFVHXQSJBENV-ZJUUUORDSA-N 1 0 280.324 2.539 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000934382201 618024028 /nfs/dbraw/zinc/02/40/28/618024028.db2.gz QNVWPXRTQWZLHA-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC000934398385 618030801 /nfs/dbraw/zinc/03/08/01/618030801.db2.gz YZOKMDPKPYKDLS-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000049963384 618054396 /nfs/dbraw/zinc/05/43/96/618054396.db2.gz NJSKWBCQWODGCY-TVQRCGJNSA-N 1 0 284.743 2.905 20 5 CFBDRO CC1(C)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000840850022 618105340 /nfs/dbraw/zinc/10/53/40/618105340.db2.gz MIASLHZHLMCBEE-HNNXBMFYSA-N 1 0 289.379 2.952 20 5 CFBDRO CCON1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000926492452 618157658 /nfs/dbraw/zinc/15/76/58/618157658.db2.gz AAOIHWHANQVLAT-LBPRGKRZSA-N 1 0 293.367 2.661 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219163734 618166119 /nfs/dbraw/zinc/16/61/19/618166119.db2.gz KMUPQIUWVBWBOS-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO COc1c(O)ccc(C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000891445499 618208709 /nfs/dbraw/zinc/20/87/09/618208709.db2.gz WDEOMOQZPIZEPA-UHFFFAOYSA-N 1 0 280.324 2.685 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000892401368 618227381 /nfs/dbraw/zinc/22/73/81/618227381.db2.gz DJNZQCWFIXJWHV-UHFFFAOYSA-N 1 0 280.324 2.731 20 5 CFBDRO [NH3+][C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000925581669 618266990 /nfs/dbraw/zinc/26/69/90/618266990.db2.gz ULZYEBIERMVHPC-STQMWFEESA-N 1 0 295.770 2.608 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351053 618375540 /nfs/dbraw/zinc/37/55/40/618375540.db2.gz RROUQRDLOSBSDY-FZMZJTMJSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCSC1 ZINC000167454017 618382493 /nfs/dbraw/zinc/38/24/93/618382493.db2.gz NYDHKGMIKHNOEX-GFCCVEGCSA-N 1 0 266.366 2.623 20 5 CFBDRO CC[NH+](CC)Cc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398698 620806090 /nfs/dbraw/zinc/80/60/90/620806090.db2.gz GIYPINVQOYEGPZ-UHFFFAOYSA-N 1 0 265.269 2.685 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@]2(C)CC2(C)C)c1[N+](=O)[O-] ZINC000895442230 618589151 /nfs/dbraw/zinc/58/91/51/618589151.db2.gz LRUZEUILCPOHQL-CQSZACIVSA-N 1 0 280.324 2.587 20 5 CFBDRO CC[C@H](CO)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930641088 618903554 /nfs/dbraw/zinc/90/35/54/618903554.db2.gz VTMCTDDQHHHUCM-UONOGXRCSA-N 1 0 278.352 2.545 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633645 619041564 /nfs/dbraw/zinc/04/15/64/619041564.db2.gz SCWZVRYASIJFEQ-ZWNOBZJWSA-N 1 0 297.786 2.950 20 5 CFBDRO Cc1ccc([C@@H](C)NCc2cc(N)cc[nH+]2)cc1[N+](=O)[O-] ZINC000925772807 619088423 /nfs/dbraw/zinc/08/84/23/619088423.db2.gz WTPPTMVDMCLYBG-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932182693 619204243 /nfs/dbraw/zinc/20/42/43/619204243.db2.gz MVDYZDYVJOYSIN-LLVKDONJSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1cc(C(=O)OCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000747684165 619261179 /nfs/dbraw/zinc/26/11/79/619261179.db2.gz XYRZCFLTJQYADM-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633680 619281972 /nfs/dbraw/zinc/28/19/72/619281972.db2.gz YAOJRLUSSDFXIV-GHMZBOCLSA-N 1 0 297.786 2.807 20 5 CFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055858 619316785 /nfs/dbraw/zinc/31/67/85/619316785.db2.gz NQZCZUHRISYCPJ-NWDGAFQWSA-N 1 0 266.345 2.649 20 5 CFBDRO C[NH+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000894797029 619468752 /nfs/dbraw/zinc/46/87/52/619468752.db2.gz HWPCFVLTRNEXPT-GJZGRUSLSA-N 1 0 293.342 2.512 20 5 CFBDRO Cc1ccc(N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894847203 619481835 /nfs/dbraw/zinc/48/18/35/619481835.db2.gz AJRZRWAYVWCHPT-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](CF)C1 ZINC000895575367 619558474 /nfs/dbraw/zinc/55/84/74/619558474.db2.gz SEVTXLFDFGYPTN-FHMRSRPSSA-N 1 0 264.300 2.899 20 5 CFBDRO C[C@@H](Nc1nccc(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000895668229 619581837 /nfs/dbraw/zinc/58/18/37/619581837.db2.gz ZKHGWPUQMFXLEL-SNVBAGLBSA-N 1 0 287.323 2.624 20 5 CFBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000895739217 619593667 /nfs/dbraw/zinc/59/36/67/619593667.db2.gz YAPPFXZPYLHMFF-CMPLNLGQSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000895741051 619593881 /nfs/dbraw/zinc/59/38/81/619593881.db2.gz XMTZXNBUBLGQQF-MFKMUULPSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895736318 619597346 /nfs/dbraw/zinc/59/73/46/619597346.db2.gz KUKUCAIMEBWSTN-ZYHUDNBSSA-N 1 0 286.335 2.648 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000896609241 619773562 /nfs/dbraw/zinc/77/35/62/619773562.db2.gz YLBWVKJVZOAZIT-VIFPVBQESA-N 1 0 293.323 2.639 20 5 CFBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000896914407 619884682 /nfs/dbraw/zinc/88/46/82/619884682.db2.gz DYGJSGGRXWOZHG-YGRLFVJLSA-N 1 0 295.770 2.636 20 5 CFBDRO C[NH+]1CCC2(CCN2c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000897133706 619937522 /nfs/dbraw/zinc/93/75/22/619937522.db2.gz NWHIOCRTMUCHBP-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO C[C@@H](C[NH2+]CCC[C@@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000897461104 620176632 /nfs/dbraw/zinc/17/66/32/620176632.db2.gz LGIBTGQNWNECEM-QWHCGFSZSA-N 1 0 278.352 2.857 20 5 CFBDRO Cc1ncoc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461808 620176872 /nfs/dbraw/zinc/17/68/72/620176872.db2.gz XZVJGZZOPREFPN-JTQLQIEISA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000897464843 620176987 /nfs/dbraw/zinc/17/69/87/620176987.db2.gz PFGTUEQHPWSKJM-UPJWGTAASA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H](C[NH2+]C[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465794 620177090 /nfs/dbraw/zinc/17/70/90/620177090.db2.gz IINJJDGUMKNQAD-QWHCGFSZSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000897464888 620177112 /nfs/dbraw/zinc/17/71/12/620177112.db2.gz QABCHQVYOMIPNX-JTQLQIEISA-N 1 0 275.308 2.785 20 5 CFBDRO CCn1ccnc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469351 620178348 /nfs/dbraw/zinc/17/83/48/620178348.db2.gz IMUSNQGTKGQZOP-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000897469757 620178627 /nfs/dbraw/zinc/17/86/27/620178627.db2.gz PXXUIGROLREIIA-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cccc1[N+](=O)[O-] ZINC000897501076 620192186 /nfs/dbraw/zinc/19/21/86/620192186.db2.gz MDGLIABXSAKQOC-ZBFHGGJFSA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000925310702 620243494 /nfs/dbraw/zinc/24/34/94/620243494.db2.gz OYTVVDGICAJULL-ZBFHGGJFSA-N 1 0 290.363 2.890 20 5 CFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841031792 620258964 /nfs/dbraw/zinc/25/89/64/620258964.db2.gz XXVWZZVTOVPCNU-YGRLFVJLSA-N 1 0 297.786 2.855 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000897953452 620310017 /nfs/dbraw/zinc/31/00/17/620310017.db2.gz PIWQFVDACOINBD-JHJVBQTASA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CC1 ZINC000898203947 620344527 /nfs/dbraw/zinc/34/45/27/620344527.db2.gz LMDZLBGXIVSUHM-MLGOLLRUSA-N 1 0 292.379 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c(Cl)c1 ZINC000898381725 620378389 /nfs/dbraw/zinc/37/83/89/620378389.db2.gz LKNIWECZKSWMKA-JSGCOSHPSA-N 1 0 296.754 2.763 20 5 CFBDRO C[N@@H+]1CCN(c2ccsc2[N+](=O)[O-])CCC1(C)C ZINC000866109115 620378452 /nfs/dbraw/zinc/37/84/52/620378452.db2.gz CMASQWXQHBPVBT-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059117 620423396 /nfs/dbraw/zinc/42/33/96/620423396.db2.gz XVWXPNQFHCXDNJ-NEPJUHHUSA-N 1 0 283.759 2.608 20 5 CFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000041123775 620430740 /nfs/dbraw/zinc/43/07/40/620430740.db2.gz UCSLKNJRASIRQH-SNVBAGLBSA-N 1 0 296.714 2.954 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000898386783 620457779 /nfs/dbraw/zinc/45/77/79/620457779.db2.gz LNEACHPVAXDJMP-NVXWUHKLSA-N 1 0 298.342 2.651 20 5 CFBDRO [NH3+][C@@H]1CCc2cc(-c3cc([N+](=O)[O-])ccc3CO)ccc2C1 ZINC000899322181 620543467 /nfs/dbraw/zinc/54/34/67/620543467.db2.gz DWONIBUNMKPIPF-OAHLLOKOSA-N 1 0 298.342 2.570 20 5 CFBDRO CCN(CC)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000899859692 620606498 /nfs/dbraw/zinc/60/64/98/620606498.db2.gz MNKKQUFDCCGLNX-CQSZACIVSA-N 1 0 299.802 2.589 20 5 CFBDRO CC[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902446001 621083530 /nfs/dbraw/zinc/08/35/30/621083530.db2.gz NQWVGWGAUSRYFX-KGLIPLIRSA-N 1 0 277.368 2.634 20 5 CFBDRO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000902674274 621145915 /nfs/dbraw/zinc/14/59/15/621145915.db2.gz PLANOZDVSXWPKF-OLZOCXBDSA-N 1 0 292.383 2.876 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903078287 621244438 /nfs/dbraw/zinc/24/44/38/621244438.db2.gz FIRJWQQJJRYYPM-MNOVXSKESA-N 1 0 282.340 2.537 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903100164 621252871 /nfs/dbraw/zinc/25/28/71/621252871.db2.gz QZVCRUJJHJSVGF-TUAOUCFPSA-N 1 0 296.367 2.661 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)C(C)C ZINC000903100387 621253008 /nfs/dbraw/zinc/25/30/08/621253008.db2.gz RIAQISDMBYVLOY-NHYWBVRUSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903103071 621254156 /nfs/dbraw/zinc/25/41/56/621254156.db2.gz DIKQFJJIQFEJLB-GRYCIOLGSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)CCO)cc([N+](=O)[O-])c1 ZINC000903104935 621254605 /nfs/dbraw/zinc/25/46/05/621254605.db2.gz ZDVNLAGDVWRPKL-NSHDSACASA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903096845 621259214 /nfs/dbraw/zinc/25/92/14/621259214.db2.gz LVZDWBKQEOYMJL-XHDPSFHLSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119843 621260803 /nfs/dbraw/zinc/26/08/03/621260803.db2.gz KNFMJSWRLIYCBM-SMDDNHRTSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cc([N+](=O)[O-])c1 ZINC000903129694 621263159 /nfs/dbraw/zinc/26/31/59/621263159.db2.gz IADIFPFKQXKYAQ-ZJUUUORDSA-N 1 0 290.323 2.738 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000903132311 621263744 /nfs/dbraw/zinc/26/37/44/621263744.db2.gz XYRJZULJCBNDNH-HNNXBMFYSA-N 1 0 290.363 2.829 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131471 621263880 /nfs/dbraw/zinc/26/38/80/621263880.db2.gz SPMMVFVGKSERKO-MDZLAQPJSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903159375 621270765 /nfs/dbraw/zinc/27/07/65/621270765.db2.gz HBNXCPUHYMMDKS-ZIBATOQPSA-N 1 0 294.351 2.679 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903172025 621273854 /nfs/dbraw/zinc/27/38/54/621273854.db2.gz LXJHSKBMRUOLTL-GXFFZTMASA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)cc([N+](=O)[O-])c1 ZINC000903179105 621276505 /nfs/dbraw/zinc/27/65/05/621276505.db2.gz MPXROACUQKKDCV-YGRLFVJLSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CCCCO)cc([N+](=O)[O-])c1 ZINC000903180207 621277022 /nfs/dbraw/zinc/27/70/22/621277022.db2.gz XKJYLBCZSSJARO-RYUDHWBXSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CC23CC3)cc([N+](=O)[O-])c1 ZINC000903192333 621280505 /nfs/dbraw/zinc/28/05/05/621280505.db2.gz LLXZPDAMPUIQTI-TVQRCGJNSA-N 1 0 262.309 2.807 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246396 621294950 /nfs/dbraw/zinc/29/49/50/621294950.db2.gz UPXLVTLVZALDQF-AAEUAGOBSA-N 1 0 286.335 2.629 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000903244783 621295664 /nfs/dbraw/zinc/29/56/64/621295664.db2.gz DIZREGCQZDPPOJ-NEPJUHHUSA-N 1 0 288.351 2.783 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244895 621295679 /nfs/dbraw/zinc/29/56/79/621295679.db2.gz GANZQELFROWEQX-OUCADQQQSA-N 1 0 278.352 2.713 20 5 CFBDRO Cc1nonc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245223 621296187 /nfs/dbraw/zinc/29/61/87/621296187.db2.gz KQMUHSQLYMLHMP-NXEZZACHSA-N 1 0 290.323 2.741 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1ccnnc1)c1ccccc1[N+](=O)[O-] ZINC000903245306 621296286 /nfs/dbraw/zinc/29/62/86/621296286.db2.gz DKHUZDGDDIJJET-NWDGAFQWSA-N 1 0 286.335 2.839 20 5 CFBDRO C[C@@H]1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000903299796 621314286 /nfs/dbraw/zinc/31/42/86/621314286.db2.gz DZEBFXWXBIXVPU-LYRGGWFBSA-N 1 0 289.379 2.654 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287888 621319064 /nfs/dbraw/zinc/31/90/64/621319064.db2.gz SHOFKQDONCLQKJ-MDZLAQPJSA-N 1 0 264.325 2.670 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903315530 621329459 /nfs/dbraw/zinc/32/94/59/621329459.db2.gz HUNBQJIABDCGBN-PWSUYJOCSA-N 1 0 295.408 2.671 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN1C ZINC000903315528 621329727 /nfs/dbraw/zinc/32/97/27/621329727.db2.gz HUNBQJIABDCGBN-CMPLNLGQSA-N 1 0 295.408 2.671 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(CCO)C2)cc1[N+](=O)[O-] ZINC000903328548 621339920 /nfs/dbraw/zinc/33/99/20/621339920.db2.gz LZBGWLFNGWAOCY-LKSINWNRSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000903407299 621362364 /nfs/dbraw/zinc/36/23/64/621362364.db2.gz NORTUTGTDXJRSE-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903445455 621384022 /nfs/dbraw/zinc/38/40/22/621384022.db2.gz TVVPKFVXXDLGDU-YAPUSRSVSA-N 1 0 255.705 2.580 20 5 CFBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903854482 621456458 /nfs/dbraw/zinc/45/64/58/621456458.db2.gz JIGLLLFMDWZIOY-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO CCC1([NH3+])CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000903945991 621483989 /nfs/dbraw/zinc/48/39/89/621483989.db2.gz CFWHILDFZCQWPC-UHFFFAOYSA-N 1 0 297.786 2.952 20 5 CFBDRO Cc1cc(COC(=O)CC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000904286157 621567707 /nfs/dbraw/zinc/56/77/07/621567707.db2.gz KPERLTCIKJAHFB-UHFFFAOYSA-N 1 0 294.351 2.725 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000905074559 621698515 /nfs/dbraw/zinc/69/85/15/621698515.db2.gz ZHKKWMPTYWJCNL-UHFFFAOYSA-N 1 0 284.359 2.707 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000905113075 621702014 /nfs/dbraw/zinc/70/20/14/621702014.db2.gz CZDDMEUXPFDUPE-JTQLQIEISA-N 1 0 275.135 2.847 20 5 CFBDRO COC1(C[NH2+]CC[N+](=O)[O-])CCC(c2ccccc2)CC1 ZINC000905257192 621728882 /nfs/dbraw/zinc/72/88/82/621728882.db2.gz PMIZNZGFZHTCFW-UHFFFAOYSA-N 1 0 292.379 2.596 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000905279981 621737544 /nfs/dbraw/zinc/73/75/44/621737544.db2.gz LNGAFSGVXUHZCW-AAEUAGOBSA-N 1 0 268.744 2.842 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C[C@H](c2ccccc2)C1 ZINC000905289842 621738552 /nfs/dbraw/zinc/73/85/52/621738552.db2.gz KGLRBGWILRZSBC-NWANDNLSSA-N 1 0 262.353 2.825 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(CC3CC3)CC2)c1 ZINC000905422585 621765110 /nfs/dbraw/zinc/76/51/10/621765110.db2.gz JGASBSYUFQUXIQ-HNNXBMFYSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000905436661 621771751 /nfs/dbraw/zinc/77/17/51/621771751.db2.gz HKMDHICAVKPPSR-KSYCFECVSA-N 1 0 290.363 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000905439059 621772191 /nfs/dbraw/zinc/77/21/91/621772191.db2.gz RFOHUHGHMINYKX-ARLBYUKCSA-N 1 0 290.363 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1 ZINC000905508258 621783692 /nfs/dbraw/zinc/78/36/92/621783692.db2.gz HQWYILGNCKQIND-UHOFOFEASA-N 1 0 290.363 2.654 20 5 CFBDRO CCCC[NH+](CCCC)Cn1cc([N+](=O)[O-])cn1 ZINC000078493960 623059549 /nfs/dbraw/zinc/05/95/49/623059549.db2.gz RTYFWTWZVJDJDX-UHFFFAOYSA-N 1 0 254.334 2.651 20 5 CFBDRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000168441501 623095001 /nfs/dbraw/zinc/09/50/01/623095001.db2.gz ZCKOLTLXNWXRNW-TZMCWYRMSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCCCC[NH3+])n1 ZINC000822807779 623178988 /nfs/dbraw/zinc/17/89/88/623178988.db2.gz HAGILAQDLBTWFN-UHFFFAOYSA-N 1 0 290.323 2.625 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069153 623227582 /nfs/dbraw/zinc/22/75/82/623227582.db2.gz HDGGMYBWAMFNAS-SFYZADRCSA-N 1 0 294.336 2.562 20 5 CFBDRO Cc1c(CNC[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000062071723 623246902 /nfs/dbraw/zinc/24/69/02/623246902.db2.gz VKYHRMWOMJAQMO-ZDUSSCGKSA-N 1 0 291.395 2.725 20 5 CFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000172350392 623277895 /nfs/dbraw/zinc/27/78/95/623277895.db2.gz NBRKGMRXSPDCFK-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000230669875 623289526 /nfs/dbraw/zinc/28/95/26/623289526.db2.gz ANLNDLNCQVXMTQ-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000063196398 623331850 /nfs/dbraw/zinc/33/18/50/623331850.db2.gz QPUCALPNZXJFLV-HZMBPMFUSA-N 1 0 297.786 2.950 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000231981360 623378800 /nfs/dbraw/zinc/37/88/00/623378800.db2.gz TYIOZZGRJVQIDA-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO CCC1(CC)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834379163 625648183 /nfs/dbraw/zinc/64/81/83/625648183.db2.gz VZOOVNFZXMBGKL-CQSZACIVSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774673 623499915 /nfs/dbraw/zinc/49/99/15/623499915.db2.gz YCTBBBZINUBHKX-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153288141 623913655 /nfs/dbraw/zinc/91/36/55/623913655.db2.gz QNOMBIZBUZEYAW-GFCCVEGCSA-N 1 0 266.345 2.507 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOc1ccccc1[N+](=O)[O-] ZINC000916475293 624248604 /nfs/dbraw/zinc/24/86/04/624248604.db2.gz ZSXBEAIIWMMJBX-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCCCC1 ZINC000174837707 624318695 /nfs/dbraw/zinc/31/86/95/624318695.db2.gz ONLKFRHEHUMTQU-UHFFFAOYSA-N 1 0 280.372 2.836 20 5 CFBDRO COc1ccc(OCC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000917931653 624397164 /nfs/dbraw/zinc/39/71/64/624397164.db2.gz PHVXVABLJZNAQC-LBPRGKRZSA-N 1 0 294.351 2.857 20 5 CFBDRO CC(C)CC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000068961122 625041194 /nfs/dbraw/zinc/04/11/94/625041194.db2.gz ZBSRMLQSWZGKGS-UHFFFAOYSA-N 1 0 276.340 2.880 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000831533717 625044472 /nfs/dbraw/zinc/04/44/72/625044472.db2.gz KBTDBPHPFYNCIR-QMTHXVAHSA-N 1 0 282.315 2.591 20 5 CFBDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906102 625918234 /nfs/dbraw/zinc/91/82/34/625918234.db2.gz WAFVATOVFCXELB-NWDGAFQWSA-N 1 0 293.367 2.644 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834912988 625920948 /nfs/dbraw/zinc/92/09/48/625920948.db2.gz NVWHJCGFUJACEG-WDBKCZKBSA-N 1 0 293.367 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1cccnc1 ZINC000084439822 626015827 /nfs/dbraw/zinc/01/58/27/626015827.db2.gz GXFWUECVOUOQIU-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCO[C@@H]2CCCCO2)c1 ZINC000922230396 626245901 /nfs/dbraw/zinc/24/59/01/626245901.db2.gz WIZSRKLLKIGRAA-OAHLLOKOSA-N 1 0 294.351 2.618 20 5 CFBDRO COC(OC)[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922312646 626266880 /nfs/dbraw/zinc/26/68/80/626266880.db2.gz FOOSPPFVVSOIRJ-NXIHDVOMSA-N 1 0 294.351 2.595 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000922731975 626355164 /nfs/dbraw/zinc/35/51/64/626355164.db2.gz KDLDGLMXFPVDIA-JGVFFNPUSA-N 1 0 280.271 2.944 20 5 CFBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000922812790 626368788 /nfs/dbraw/zinc/36/87/88/626368788.db2.gz TYOYPWUIQOAMMR-CQSZACIVSA-N 1 0 264.325 2.644 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000922843659 626378736 /nfs/dbraw/zinc/37/87/36/626378736.db2.gz UQMIBTVHGUHEJP-JQWIXIFHSA-N 1 0 266.366 2.969 20 5 CFBDRO COC(CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000851735729 634500379 /nfs/dbraw/zinc/50/03/79/634500379.db2.gz IXGRQCBQVMJIMA-UHFFFAOYSA-N 1 0 296.367 2.814 20 5 CFBDRO COC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000922949685 626431464 /nfs/dbraw/zinc/43/14/64/626431464.db2.gz PHWPDSDSLVQPTN-LBPRGKRZSA-N 1 0 284.331 2.742 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000839190859 626530548 /nfs/dbraw/zinc/53/05/48/626530548.db2.gz AXHVNGGSNDSQKS-OLZOCXBDSA-N 1 0 284.743 2.905 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000839190516 626530638 /nfs/dbraw/zinc/53/06/38/626530638.db2.gz HFPWAQFPXYRJQE-KGLIPLIRSA-N 1 0 294.326 2.781 20 5 CFBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000839497110 626538068 /nfs/dbraw/zinc/53/80/68/626538068.db2.gz UWBABBPENIASTK-UHFFFAOYSA-N 1 0 297.742 2.671 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839512161 626538413 /nfs/dbraw/zinc/53/84/13/626538413.db2.gz JMLRIXWNJQFDCQ-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659017 626549843 /nfs/dbraw/zinc/54/98/43/626549843.db2.gz UQUOHEVZJOFJQX-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000839681126 626552172 /nfs/dbraw/zinc/55/21/72/626552172.db2.gz PRAPFYAEZMXEQL-ZBFHGGJFSA-N 1 0 290.363 2.750 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C2COC(C)(C)OC2)cc1[N+](=O)[O-] ZINC000757698865 626559094 /nfs/dbraw/zinc/55/90/94/626559094.db2.gz ULNYNEHVFRQFDV-LLVKDONJSA-N 1 0 294.351 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CCOC2)CC1 ZINC000761060934 626796011 /nfs/dbraw/zinc/79/60/11/626796011.db2.gz YTPALNDCMVZOJC-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccco2)cc1Cl ZINC000761520343 626842029 /nfs/dbraw/zinc/84/20/29/626842029.db2.gz BHXKEHAJPNHZOC-LBPRGKRZSA-N 1 0 296.710 2.664 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000763334110 626981053 /nfs/dbraw/zinc/98/10/53/626981053.db2.gz UXHUGKWEQSDLJC-LBPRGKRZSA-N 1 0 286.335 2.634 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765049316 627115601 /nfs/dbraw/zinc/11/56/01/627115601.db2.gz OSVGYUYWIMMXJW-JTQLQIEISA-N 1 0 274.324 2.695 20 5 CFBDRO C[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765338133 627131657 /nfs/dbraw/zinc/13/16/57/627131657.db2.gz VMYADTOENDFLEF-OLZOCXBDSA-N 1 0 289.379 2.809 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636525 627151898 /nfs/dbraw/zinc/15/18/98/627151898.db2.gz QJYNRDNLKWNCPN-WDEREUQCSA-N 1 0 281.331 2.653 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000765640991 627152646 /nfs/dbraw/zinc/15/26/46/627152646.db2.gz IRQBBOHXSFYCIS-NEPJUHHUSA-N 1 0 263.341 2.514 20 5 CFBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000773040974 627773061 /nfs/dbraw/zinc/77/30/61/627773061.db2.gz PJDXJCKVNWYBIP-UHFFFAOYSA-N 1 0 289.379 2.953 20 5 CFBDRO CO[C@H]1CC[C@@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000852018525 634628712 /nfs/dbraw/zinc/62/87/12/634628712.db2.gz NYGATSRJYOYWAK-HIFRSBDPSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1occc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276894 628125222 /nfs/dbraw/zinc/12/52/22/628125222.db2.gz LPZUQHGXOFWPBL-HNNXBMFYSA-N 1 0 290.319 2.662 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579689 628160598 /nfs/dbraw/zinc/16/05/98/628160598.db2.gz NYCVVALYKNKHKS-BDJLRTHQSA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000776581899 628160604 /nfs/dbraw/zinc/16/06/04/628160604.db2.gz OMYRTFKQOSOZPC-GJZGRUSLSA-N 1 0 276.336 2.503 20 5 CFBDRO CC1(C)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581511 628160783 /nfs/dbraw/zinc/16/07/83/628160783.db2.gz IVSZQAYJEFKQFO-CQSZACIVSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776591585 628163046 /nfs/dbraw/zinc/16/30/46/628163046.db2.gz KRCBKFSUVDPVKI-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC(C)(C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593205 628163331 /nfs/dbraw/zinc/16/33/31/628163331.db2.gz RMIGFXSXUSYWPL-CYBMUJFWSA-N 1 0 266.341 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC3(C2)CCCC3)cc1 ZINC000777659112 628244650 /nfs/dbraw/zinc/24/46/50/628244650.db2.gz IQXOMUQWFXVIFJ-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000778954475 628341256 /nfs/dbraw/zinc/34/12/56/628341256.db2.gz WZOJUKLBZRPWKB-QWHCGFSZSA-N 1 0 277.368 2.600 20 5 CFBDRO Cc1nn(CN2CCC(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000779867518 628415517 /nfs/dbraw/zinc/41/55/17/628415517.db2.gz VBLBNAUEVYGBKL-UHFFFAOYSA-N 1 0 280.372 2.815 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000780575582 628478998 /nfs/dbraw/zinc/47/89/98/628478998.db2.gz DOPPSCFJYTUNSL-ZYHUDNBSSA-N 1 0 292.335 2.644 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588818 628562521 /nfs/dbraw/zinc/56/25/21/628562521.db2.gz XIUYLZIFMLJSAQ-XHDPSFHLSA-N 1 0 292.383 2.878 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)O ZINC000783558558 628720111 /nfs/dbraw/zinc/72/01/11/628720111.db2.gz DHXBJLBMWLKECL-JTQLQIEISA-N 1 0 286.759 2.839 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1Cl ZINC000783598093 628724968 /nfs/dbraw/zinc/72/49/68/628724968.db2.gz FHGBVAYMMKUCOX-NSHDSACASA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659057 628731617 /nfs/dbraw/zinc/73/16/17/628731617.db2.gz FYLYMOQUIXPDID-ZYHUDNBSSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679755 628733903 /nfs/dbraw/zinc/73/39/03/628733903.db2.gz RCKRELRKARCBKF-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000784384753 628812899 /nfs/dbraw/zinc/81/28/99/628812899.db2.gz DTISXGDEUGOJEM-XJKSGUPXSA-N 1 0 290.363 2.916 20 5 CFBDRO Cc1cc(NC[C@H](C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000785776055 628913016 /nfs/dbraw/zinc/91/30/16/628913016.db2.gz MLSXMCOZHVLISC-VIFPVBQESA-N 1 0 271.748 2.919 20 5 CFBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000787047667 628990135 /nfs/dbraw/zinc/99/01/35/628990135.db2.gz BRYCWYLNCGWBIX-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788819774 629102809 /nfs/dbraw/zinc/10/28/09/629102809.db2.gz BJTUYQHTNMXVSZ-DGFSRKRXSA-N 1 0 293.367 2.785 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852290486 634712362 /nfs/dbraw/zinc/71/23/62/634712362.db2.gz JILHGKKEBCEYFJ-BXUZGUMPSA-N 1 0 266.341 2.749 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852290488 634712459 /nfs/dbraw/zinc/71/24/59/634712459.db2.gz JILHGKKEBCEYFJ-RISCZKNCSA-N 1 0 266.341 2.749 20 5 CFBDRO Cc1ccc(CCC2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000791054399 629284239 /nfs/dbraw/zinc/28/42/39/629284239.db2.gz UPBKRBNEKUJDNK-UHFFFAOYSA-N 1 0 276.380 2.916 20 5 CFBDRO CC[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000791052326 629284392 /nfs/dbraw/zinc/28/43/92/629284392.db2.gz MCIXOFIDELXYHK-ZFWWWQNUSA-N 1 0 262.353 2.779 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CCO ZINC000852461036 634749972 /nfs/dbraw/zinc/74/99/72/634749972.db2.gz FMZRVAJPEMXSTR-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000793619056 629580048 /nfs/dbraw/zinc/58/00/48/629580048.db2.gz CNDQRNJWIYTWJI-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534985 634773274 /nfs/dbraw/zinc/77/32/74/634773274.db2.gz SPYHJHQZXRPQHO-SMDDNHRTSA-N 1 0 296.754 2.717 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000852533699 634773510 /nfs/dbraw/zinc/77/35/10/634773510.db2.gz XJIAJNSVLYIIEM-SWLSCSKDSA-N 1 0 296.342 2.700 20 5 CFBDRO C[N@H+](CCCCCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000801601647 630461754 /nfs/dbraw/zinc/46/17/54/630461754.db2.gz JKQTUVMWRYZRLJ-UHFFFAOYSA-N 1 0 280.368 2.622 20 5 CFBDRO CC[N@@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000804572434 630756974 /nfs/dbraw/zinc/75/69/74/630756974.db2.gz BSGVIZXHPXBKKG-JTQLQIEISA-N 1 0 283.759 2.779 20 5 CFBDRO Cc1ccc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000041123500 649989089 /nfs/dbraw/zinc/98/90/89/649989089.db2.gz JCGDHTUJPYZWAE-NSHDSACASA-N 1 0 276.296 2.609 20 5 CFBDRO CC[NH+](CC)CCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807916184 630922064 /nfs/dbraw/zinc/92/20/64/630922064.db2.gz OPZXXPXCNWFHAX-UHFFFAOYSA-N 1 0 279.340 2.551 20 5 CFBDRO CO[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718357 631270377 /nfs/dbraw/zinc/27/03/77/631270377.db2.gz SZSQJLXDSALPFZ-SECBINFHSA-N 1 0 272.732 2.715 20 5 CFBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809735292 631273884 /nfs/dbraw/zinc/27/38/84/631273884.db2.gz ZWQDVMMFPOYBCG-UHFFFAOYSA-N 1 0 285.347 2.869 20 5 CFBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841072389 631331308 /nfs/dbraw/zinc/33/13/08/631331308.db2.gz JHVJTTYZDNLRET-CYBMUJFWSA-N 1 0 297.786 2.726 20 5 CFBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000841086178 631334617 /nfs/dbraw/zinc/33/46/17/631334617.db2.gz FOTYGFMCCCFPIO-CYBMUJFWSA-N 1 0 297.786 2.855 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000841105632 631341551 /nfs/dbraw/zinc/34/15/51/631341551.db2.gz TTZMUELAIIHDOP-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCF)CC2)cc1 ZINC000812737473 631765626 /nfs/dbraw/zinc/76/56/26/631765626.db2.gz WGEZLSWOJRSBSJ-UHFFFAOYSA-N 1 0 295.358 2.903 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCCC[NH3+] ZINC000843042287 631811005 /nfs/dbraw/zinc/81/10/05/631811005.db2.gz ISOQEUVTYTXEJE-UHFFFAOYSA-N 1 0 294.355 2.544 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])C(C)C)no1 ZINC000843152496 631865217 /nfs/dbraw/zinc/86/52/17/631865217.db2.gz JQGHBEHTXZEEDJ-GFCCVEGCSA-N 1 0 290.323 2.917 20 5 CFBDRO CCC[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218903 631900620 /nfs/dbraw/zinc/90/06/20/631900620.db2.gz JTAGIJAQUGARHJ-ZETCQYMHSA-N 1 0 282.325 2.767 20 5 CFBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843234021 631907537 /nfs/dbraw/zinc/90/75/37/631907537.db2.gz PCPXSYAHTNHORI-JTQLQIEISA-N 1 0 298.387 2.754 20 5 CFBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000814251966 632045301 /nfs/dbraw/zinc/04/53/01/632045301.db2.gz YOMXLYMXQSXIQU-HUUCEWRRSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846203761 632659512 /nfs/dbraw/zinc/65/95/12/632659512.db2.gz AYHGGBZJFHDHIK-MNOVXSKESA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817587405 632672348 /nfs/dbraw/zinc/67/23/48/632672348.db2.gz WGIKNWWAYNKJRK-NSHDSACASA-N 1 0 293.367 2.523 20 5 CFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000818341332 632832036 /nfs/dbraw/zinc/83/20/36/632832036.db2.gz ZDPFZTRBNIQPSK-CHWSQXEVSA-N 1 0 283.759 2.608 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819041277 632939864 /nfs/dbraw/zinc/93/98/64/632939864.db2.gz CELIKPLJLZPJSX-UXIGCNINSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000819222738 633025850 /nfs/dbraw/zinc/02/58/50/633025850.db2.gz WVKHZTPWVWYINH-UONOGXRCSA-N 1 0 296.392 2.504 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000819266620 633044482 /nfs/dbraw/zinc/04/44/82/633044482.db2.gz ZMVNEZVZQLFFPK-HNNXBMFYSA-N 1 0 290.363 2.941 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819279754 633051544 /nfs/dbraw/zinc/05/15/44/633051544.db2.gz RFDYZPRPXUPZKA-JMSVASOKSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000819381034 633140225 /nfs/dbraw/zinc/14/02/25/633140225.db2.gz UPCQGLZHNGEMOR-CWRNSKLLSA-N 1 0 290.363 2.654 20 5 CFBDRO C[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000847957113 633163436 /nfs/dbraw/zinc/16/34/36/633163436.db2.gz KKUJLPUWDOWUKK-GFCCVEGCSA-N 1 0 292.335 2.626 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848477034 633263433 /nfs/dbraw/zinc/26/34/33/633263433.db2.gz NCGIUNVKOYPIQW-GFCCVEGCSA-N 1 0 286.335 2.758 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCCCO ZINC000848538409 633282542 /nfs/dbraw/zinc/28/25/42/633282542.db2.gz YAGYAJWNGLCEFR-CQSZACIVSA-N 1 0 278.352 2.724 20 5 CFBDRO CC(C)c1ccccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000848542589 633284436 /nfs/dbraw/zinc/28/44/36/633284436.db2.gz LRCZZNIXHKLLAD-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850389491 633973427 /nfs/dbraw/zinc/97/34/27/633973427.db2.gz YLCFUMJEABWVJJ-CHWSQXEVSA-N 1 0 296.754 2.641 20 5 CFBDRO CCC[C@@H]([NH2+]CCN(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000850479676 634011268 /nfs/dbraw/zinc/01/12/68/634011268.db2.gz BAORUKLXTOCZEB-CQSZACIVSA-N 1 0 281.356 2.519 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C=CCC1 ZINC000850511259 634024895 /nfs/dbraw/zinc/02/48/95/634024895.db2.gz AOLLLBSZMFAUSJ-VXGBXAGGSA-N 1 0 289.335 2.620 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000853555310 635035929 /nfs/dbraw/zinc/03/59/29/635035929.db2.gz VLSCONFVHKUHFQ-CQSZACIVSA-N 1 0 292.383 2.959 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000853687291 635074895 /nfs/dbraw/zinc/07/48/95/635074895.db2.gz SFSSZKLDYDBBIC-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO CCC[N@@H+]1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000853906015 635157004 /nfs/dbraw/zinc/15/70/04/635157004.db2.gz JDSNABAJZBAEQK-JTQLQIEISA-N 1 0 297.330 2.639 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(F)c1 ZINC000859296145 636534446 /nfs/dbraw/zinc/53/44/46/636534446.db2.gz CEPXXMNQBBRQHJ-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000863578539 637701373 /nfs/dbraw/zinc/70/13/73/637701373.db2.gz NFTZBNAWFFEXNC-CJNGLKHVSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000863588332 637704598 /nfs/dbraw/zinc/70/45/98/637704598.db2.gz KRIFLZJVNXPSSV-HIFRSBDPSA-N 1 0 290.363 2.798 20 5 CFBDRO CC[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000863661259 637732930 /nfs/dbraw/zinc/73/29/30/637732930.db2.gz LIKXXTRFNWCISU-VIFPVBQESA-N 1 0 276.296 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000863717371 637757779 /nfs/dbraw/zinc/75/77/79/637757779.db2.gz SMMDSQWXYFGUDX-OAHLLOKOSA-N 1 0 283.331 2.951 20 5 CFBDRO CCCC[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077432883 650424340 /nfs/dbraw/zinc/42/43/40/650424340.db2.gz LWXLSQQKRYPKOE-UHFFFAOYSA-N 1 0 289.339 2.543 20 5 CFBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000865697650 638520746 /nfs/dbraw/zinc/52/07/46/638520746.db2.gz ASZHJIJNJNLQQA-ZIAGYGMSSA-N 1 0 278.352 2.624 20 5 CFBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000865838815 638603737 /nfs/dbraw/zinc/60/37/37/638603737.db2.gz CVTVJGLFCMEMJW-SMYYYNMVSA-N 1 0 286.335 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CCCC2)c(F)c1 ZINC000865874713 638633923 /nfs/dbraw/zinc/63/39/23/638633923.db2.gz HGZAXRNZNABARO-HNNXBMFYSA-N 1 0 296.342 2.765 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)c(C(F)F)c1 ZINC000865937539 638667520 /nfs/dbraw/zinc/66/75/20/638667520.db2.gz VBFCTAYOKATQML-UHFFFAOYSA-N 1 0 297.305 2.817 20 5 CFBDRO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000866113651 638744380 /nfs/dbraw/zinc/74/43/80/638744380.db2.gz BXGLWUZRMQQSLP-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H]1C ZINC000866241946 638778157 /nfs/dbraw/zinc/77/81/57/638778157.db2.gz HOTHATKMLUWHMF-CKYFFXLPSA-N 1 0 266.316 2.911 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]1C ZINC000866241950 638778222 /nfs/dbraw/zinc/77/82/22/638778222.db2.gz HOTHATKMLUWHMF-HOSYDEDBSA-N 1 0 266.316 2.911 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000866265777 638784224 /nfs/dbraw/zinc/78/42/24/638784224.db2.gz RQVVBUIIZVSMEL-IAQYHMDHSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000866265778 638784272 /nfs/dbraw/zinc/78/42/72/638784272.db2.gz RQVVBUIIZVSMEL-NHYWBVRUSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCCCO ZINC000866313799 638795629 /nfs/dbraw/zinc/79/56/29/638795629.db2.gz HTKUEXGDHCUWIY-LBPRGKRZSA-N 1 0 298.358 2.807 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866355871 638803223 /nfs/dbraw/zinc/80/32/23/638803223.db2.gz FYZWHEBBAKPZLM-AAEUAGOBSA-N 1 0 298.358 2.519 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866365290 638805200 /nfs/dbraw/zinc/80/52/00/638805200.db2.gz SHFVBEVDFLPPBB-LLVKDONJSA-N 1 0 298.358 2.927 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866415327 638817582 /nfs/dbraw/zinc/81/75/82/638817582.db2.gz RZWPYKJPTMBQKW-RISCZKNCSA-N 1 0 298.358 2.806 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866415329 638817640 /nfs/dbraw/zinc/81/76/40/638817640.db2.gz RZWPYKJPTMBQKW-SMDDNHRTSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000866447495 638823597 /nfs/dbraw/zinc/82/35/97/638823597.db2.gz JWUOVFDYIRMERP-YAMSLAJTSA-N 1 0 296.342 2.820 20 5 CFBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000122115966 638937260 /nfs/dbraw/zinc/93/72/60/638937260.db2.gz VWSGCOOOTZREFW-GFCCVEGCSA-N 1 0 266.345 2.649 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1OCC[C@@H]1CC[NH2+]C1 ZINC000122547276 639193088 /nfs/dbraw/zinc/19/30/88/639193088.db2.gz AOXSLLBZUFWWQX-VIFPVBQESA-N 1 0 270.716 2.627 20 5 CFBDRO COCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016342 641548474 /nfs/dbraw/zinc/54/84/74/641548474.db2.gz ISSYHWLMAUXQBR-SECBINFHSA-N 1 0 270.354 2.614 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029222 641558771 /nfs/dbraw/zinc/55/87/71/641558771.db2.gz PDPGMCKLDNEHPW-WDEREUQCSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028445 641559555 /nfs/dbraw/zinc/55/95/55/641559555.db2.gz PQCXWWMAGRSEEJ-QWRGUYRKSA-N 1 0 282.315 2.954 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000872030811 641560525 /nfs/dbraw/zinc/56/05/25/641560525.db2.gz CPBUTQHVRZUHGU-GHMZBOCLSA-N 1 0 295.408 2.671 20 5 CFBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037509 641570509 /nfs/dbraw/zinc/57/05/09/641570509.db2.gz CNUPUHZDFXTCBE-WOPDTQHZSA-N 1 0 295.358 2.867 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872059857 641592995 /nfs/dbraw/zinc/59/29/95/641592995.db2.gz JCOBYAWMWIRFBT-LPEHRKFASA-N 1 0 270.304 2.544 20 5 CFBDRO COC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872059877 641593580 /nfs/dbraw/zinc/59/35/80/641593580.db2.gz JTAGWYRYRHYAMJ-JTQLQIEISA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063497 641595900 /nfs/dbraw/zinc/59/59/00/641595900.db2.gz QQAOHSJJVVKLMS-XXILOJSOSA-N 1 0 282.315 2.544 20 5 CFBDRO C[C@@H]([NH2+]CCCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872066168 641597344 /nfs/dbraw/zinc/59/73/44/641597344.db2.gz FYBMYTIWDFBSCO-SNVBAGLBSA-N 1 0 270.304 2.547 20 5 CFBDRO C[C@H]([NH2+]CCCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872066167 641597903 /nfs/dbraw/zinc/59/79/03/641597903.db2.gz FYBMYTIWDFBSCO-JTQLQIEISA-N 1 0 270.304 2.547 20 5 CFBDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065335 641598082 /nfs/dbraw/zinc/59/80/82/641598082.db2.gz YTXDAUXIEMCSQK-SNVBAGLBSA-N 1 0 282.315 2.547 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069061 641599933 /nfs/dbraw/zinc/59/99/33/641599933.db2.gz LNPWCXNAAYVRRY-JQWIXIFHSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074888 641606853 /nfs/dbraw/zinc/60/68/53/641606853.db2.gz JXIFONSJMWJXSZ-NXEZZACHSA-N 1 0 284.331 2.934 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078732 641611178 /nfs/dbraw/zinc/61/11/78/641611178.db2.gz IYUMNLMQOXDOEL-NDMJEZRESA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079354 641612525 /nfs/dbraw/zinc/61/25/25/641612525.db2.gz XUIQDWLEWNDMEZ-NOZJJQNGSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082813 641615625 /nfs/dbraw/zinc/61/56/25/641615625.db2.gz BJMNUHWFODGVQP-LLVKDONJSA-N 1 0 296.342 2.937 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872084722 641618775 /nfs/dbraw/zinc/61/87/75/641618775.db2.gz UJNTWLNLUWLEND-SNVBAGLBSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000872129593 641657844 /nfs/dbraw/zinc/65/78/44/641657844.db2.gz RBCCXZFGYWSBFA-JTNHKYCSSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000872129594 641657894 /nfs/dbraw/zinc/65/78/94/641657894.db2.gz RBCCXZFGYWSBFA-UHIISALHSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCC23CC3)c1 ZINC000872218456 641706389 /nfs/dbraw/zinc/70/63/89/641706389.db2.gz OGILMEWTXRWBGT-KBPBESRZSA-N 1 0 276.336 2.551 20 5 CFBDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872254863 641718980 /nfs/dbraw/zinc/71/89/80/641718980.db2.gz MAIGKWJIPBVLJM-ZNMIVQPWSA-N 1 0 290.363 2.576 20 5 CFBDRO C[NH2+]C1(CNc2ncc(C)cc2[N+](=O)[O-])CCCCC1 ZINC000872629772 641881101 /nfs/dbraw/zinc/88/11/01/641881101.db2.gz QEPKOLJMZRLWMM-UHFFFAOYSA-N 1 0 278.356 2.632 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781034 641934892 /nfs/dbraw/zinc/93/48/92/641934892.db2.gz PCZGTEPTKVKIGD-UONOGXRCSA-N 1 0 295.770 2.921 20 5 CFBDRO Cc1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781387 641936270 /nfs/dbraw/zinc/93/62/70/641936270.db2.gz SMXKJZCNSLVVME-CHWSQXEVSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCCO1 ZINC000873010250 641983609 /nfs/dbraw/zinc/98/36/09/641983609.db2.gz HIOYWKRXRTYSFW-CYBMUJFWSA-N 1 0 278.352 2.870 20 5 CFBDRO Cc1n[nH]cc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873013197 641984345 /nfs/dbraw/zinc/98/43/45/641984345.db2.gz WEUVDXWJXALABC-UHFFFAOYSA-N 1 0 274.324 2.533 20 5 CFBDRO CC[C@H](O)CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873061506 641999684 /nfs/dbraw/zinc/99/96/84/641999684.db2.gz SFJHQIIXOPQNCL-ZDUSSCGKSA-N 1 0 280.368 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@H](C)CO ZINC000873098981 642012617 /nfs/dbraw/zinc/01/26/17/642012617.db2.gz XKPRHZYEVLMKIZ-NSHDSACASA-N 1 0 280.368 2.710 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOC(F)(F)F ZINC000873112407 642015319 /nfs/dbraw/zinc/01/53/19/642015319.db2.gz BLHJGZYYVSSLLG-UHFFFAOYSA-N 1 0 292.257 2.838 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](O)C(C)C ZINC000873132088 642023553 /nfs/dbraw/zinc/02/35/53/642023553.db2.gz GOBUQTWAANSVOQ-ZFWWWQNUSA-N 1 0 280.368 2.788 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC1(O)CCC1 ZINC000873132139 642023690 /nfs/dbraw/zinc/02/36/90/642023690.db2.gz ITPMDAOJIWAWMZ-UHFFFAOYSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cccc1[N+](=O)[O-] ZINC000873143097 642029732 /nfs/dbraw/zinc/02/97/32/642029732.db2.gz XQBNXAZQCZHXMS-DOMZBBRYSA-N 1 0 276.336 2.560 20 5 CFBDRO Cc1ccc(CN[C@H](C)c2c[nH+]ccc2N)cc1[N+](=O)[O-] ZINC000873253332 642099121 /nfs/dbraw/zinc/09/91/21/642099121.db2.gz VURGMLJJPORVHO-LLVKDONJSA-N 1 0 286.335 2.562 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000876693203 642977082 /nfs/dbraw/zinc/97/70/82/642977082.db2.gz BDCUWQPJQQRNOF-CQSZACIVSA-N 1 0 292.379 2.806 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000876804933 643016569 /nfs/dbraw/zinc/01/65/69/643016569.db2.gz WKYAPTAGRYUGAL-BBRMVZONSA-N 1 0 292.379 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000877020195 643106144 /nfs/dbraw/zinc/10/61/44/643106144.db2.gz ZFOHZTJCIKSRHS-JTQLQIEISA-N 1 0 289.162 2.921 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C/C=C\c3ccccc3)C2)c1 ZINC000877036804 643114793 /nfs/dbraw/zinc/11/47/93/643114793.db2.gz VUAAOEAZYNZKAJ-DAXSKMNVSA-N 1 0 298.346 2.798 20 5 CFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877046272 643118835 /nfs/dbraw/zinc/11/88/35/643118835.db2.gz KNZUCEVDHUTGNP-PKSQDBQZSA-N 1 0 278.356 2.663 20 5 CFBDRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877067462 643132609 /nfs/dbraw/zinc/13/26/09/643132609.db2.gz HWGLQICETGOATL-OKZRHMCRSA-N 1 0 280.372 2.909 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC4CCC3CC4)C2)c1 ZINC000877091048 643147643 /nfs/dbraw/zinc/14/76/43/643147643.db2.gz ZABXNFFHARPYQV-YZXOMZRCSA-N 1 0 290.367 2.663 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000877169905 643186031 /nfs/dbraw/zinc/18/60/31/643186031.db2.gz HGTHNWIZGCSHQK-ZIAGYGMSSA-N 1 0 292.379 2.804 20 5 CFBDRO C[C@H](CCC1CC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877398917 643259601 /nfs/dbraw/zinc/25/96/01/643259601.db2.gz JGBMNVOLSSYBLU-QFWMXSHPSA-N 1 0 278.356 2.663 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000877488231 643303030 /nfs/dbraw/zinc/30/30/30/643303030.db2.gz CTJJXPCPYFWKBJ-ZDUSSCGKSA-N 1 0 290.363 2.680 20 5 CFBDRO Cc1c(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000877530705 643335052 /nfs/dbraw/zinc/33/50/52/643335052.db2.gz GDNMGPINBGDDIB-DOMZBBRYSA-N 1 0 291.395 2.675 20 5 CFBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CC1(C)C ZINC000877593653 643385977 /nfs/dbraw/zinc/38/59/77/643385977.db2.gz XQTXCFXEWBFCDC-GVOSGWPFSA-N 1 0 292.383 2.909 20 5 CFBDRO CC(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000877637475 643421532 /nfs/dbraw/zinc/42/15/32/643421532.db2.gz IRTGMGJLZNLNFL-YIZWMMSDSA-N 1 0 278.356 2.519 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877736677 643495584 /nfs/dbraw/zinc/49/55/84/643495584.db2.gz ANAZOCNEWTWFDZ-OLZOCXBDSA-N 1 0 278.377 2.780 20 5 CFBDRO CC1(C)C[C@@H](O)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877752417 643528641 /nfs/dbraw/zinc/52/86/41/643528641.db2.gz FKPPYCGXPGEJPO-HZRUHFOJSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCCCCCCC1 ZINC000878681599 643989635 /nfs/dbraw/zinc/98/96/35/643989635.db2.gz AVPZUNRSRVYNAO-UHFFFAOYSA-N 1 0 280.372 2.756 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000878920786 644076157 /nfs/dbraw/zinc/07/61/57/644076157.db2.gz VZLIXSQIRSDBMR-DOMZBBRYSA-N 1 0 292.379 2.886 20 5 CFBDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000879317543 644221226 /nfs/dbraw/zinc/22/12/26/644221226.db2.gz FNOVQPKZAXDTNW-FZMZJTMJSA-N 1 0 264.325 2.594 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000880233992 644594999 /nfs/dbraw/zinc/59/49/99/644594999.db2.gz GJMMMAZNVSKDDU-LBPRGKRZSA-N 1 0 252.289 2.776 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000880235023 644596229 /nfs/dbraw/zinc/59/62/29/644596229.db2.gz MXZUSJLAFOPCEW-LBPRGKRZSA-N 1 0 282.315 2.655 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880294248 644633502 /nfs/dbraw/zinc/63/35/02/644633502.db2.gz AKRXDSYCXJHHBK-LLVKDONJSA-N 1 0 252.289 2.695 20 5 CFBDRO CC1([NH+]2CCC2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000880468564 644725012 /nfs/dbraw/zinc/72/50/12/644725012.db2.gz AZKVSFLXNOKGPR-UHFFFAOYSA-N 1 0 289.379 2.655 20 5 CFBDRO CC1([NH+]2CCC2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000880470433 644725663 /nfs/dbraw/zinc/72/56/63/644725663.db2.gz IJRZPSAZOLTGBA-UHFFFAOYSA-N 1 0 289.379 2.655 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000211118517 644811540 /nfs/dbraw/zinc/81/15/40/644811540.db2.gz PUCAMVUYTDOXRM-WDMOLILDSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000211118621 644811611 /nfs/dbraw/zinc/81/16/11/644811611.db2.gz PUCAMVUYTDOXRM-MJVIPROJSA-N 1 0 266.341 2.652 20 5 CFBDRO C[NH+](C)C1(CNc2ccnc(F)c2[N+](=O)[O-])CCCCC1 ZINC000881750529 645121458 /nfs/dbraw/zinc/12/14/58/645121458.db2.gz QPEVZCVPURYWQD-UHFFFAOYSA-N 1 0 296.346 2.805 20 5 CFBDRO CC(=O)c1c(NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000881961561 645163858 /nfs/dbraw/zinc/16/38/58/645163858.db2.gz ZJSZGWGSAFBKNB-GFCCVEGCSA-N 1 0 291.351 2.551 20 5 CFBDRO CC(C)C[N@H+](C)CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882524073 645352960 /nfs/dbraw/zinc/35/29/60/645352960.db2.gz VGOPMAPLGUALEU-UHFFFAOYSA-N 1 0 284.335 2.519 20 5 CFBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000882961858 645531435 /nfs/dbraw/zinc/53/14/35/645531435.db2.gz ZNMIPEKDMXNQBH-NSHDSACASA-N 1 0 286.335 2.649 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883090163 645601222 /nfs/dbraw/zinc/60/12/22/645601222.db2.gz DFBJSENERCXXRN-ZZKXABKFSA-N 1 0 284.743 2.665 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883263434 645708743 /nfs/dbraw/zinc/70/87/43/645708743.db2.gz STVJWCATNROPCU-YEORSEQZSA-N 1 0 294.351 2.508 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000305141051 651051568 /nfs/dbraw/zinc/05/15/68/651051568.db2.gz MJFNRTCOVSNRRL-JTQLQIEISA-N 1 0 286.759 2.839 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000800144401 646155927 /nfs/dbraw/zinc/15/59/27/646155927.db2.gz YSHFCZIQGBTGMB-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO Cc1cc(N2C[C@@H]3C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000884589882 646473417 /nfs/dbraw/zinc/47/34/17/646473417.db2.gz LAYACVXWOPYJQI-PHIMTYICSA-N 1 0 269.304 2.908 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000135211809 646492833 /nfs/dbraw/zinc/49/28/33/646492833.db2.gz KXXSJQHRWWBTTP-NXEZZACHSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000135211845 646493016 /nfs/dbraw/zinc/49/30/16/646493016.db2.gz KXXSJQHRWWBTTP-ZJUUUORDSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000886038568 646835270 /nfs/dbraw/zinc/83/52/70/646835270.db2.gz YSHKZJSHYXQWHN-HNNXBMFYSA-N 1 0 283.331 2.807 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886114320 646878508 /nfs/dbraw/zinc/87/85/08/646878508.db2.gz MQCZPMIVZITJOW-HUBLWGQQSA-N 1 0 276.336 2.672 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166992 646905015 /nfs/dbraw/zinc/90/50/15/646905015.db2.gz XNQJMKGWMPNHBY-WOPDTQHZSA-N 1 0 263.341 2.856 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000886204369 646918872 /nfs/dbraw/zinc/91/88/72/646918872.db2.gz CMJLSDYVQOVTCA-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000886207692 646921121 /nfs/dbraw/zinc/92/11/21/646921121.db2.gz JVHOGRSETIJQHK-UHFFFAOYSA-N 1 0 285.294 3.000 20 5 CFBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000886284504 646952367 /nfs/dbraw/zinc/95/23/67/646952367.db2.gz ZIKTYTCYZAOASZ-ZBOXLXRLSA-N 1 0 281.331 2.996 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000886517593 647025524 /nfs/dbraw/zinc/02/55/24/647025524.db2.gz JKTTZTGBYPJZRB-HNNXBMFYSA-N 1 0 288.351 2.815 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)c1 ZINC000886676989 647105613 /nfs/dbraw/zinc/10/56/13/647105613.db2.gz PLDXLDVFMHFJTA-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000886821375 647152377 /nfs/dbraw/zinc/15/23/77/647152377.db2.gz BOOZUHNQCLJSGU-DOMZBBRYSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1F ZINC000886821377 647152777 /nfs/dbraw/zinc/15/27/77/647152777.db2.gz BOOZUHNQCLJSGU-SWLSCSKDSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(F)c1 ZINC000886830736 647155643 /nfs/dbraw/zinc/15/56/43/647155643.db2.gz WSUFURWINQSCBF-DOMZBBRYSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886832495 647156937 /nfs/dbraw/zinc/15/69/37/647156937.db2.gz JGFSCRSZZFYTCZ-GDBMZVCRSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(C2CC2)CCC1 ZINC000887144895 647230109 /nfs/dbraw/zinc/23/01/09/647230109.db2.gz DTOXRJHRJIMSNM-UHFFFAOYSA-N 1 0 276.336 2.896 20 5 CFBDRO C[C@@H](N)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496672 647883737 /nfs/dbraw/zinc/88/37/37/647883737.db2.gz RZQBOLATNSNDEL-CXAGYDPISA-N 1 0 299.374 2.815 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000925311160 648154417 /nfs/dbraw/zinc/15/44/17/648154417.db2.gz PKRUVYUHCWFVLD-INIZCTEOSA-N 1 0 290.363 2.890 20 5 CFBDRO COC1(OC)CC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000925490707 648182499 /nfs/dbraw/zinc/18/24/99/648182499.db2.gz CJEBJHMMQDBGGX-BXUZGUMPSA-N 1 0 294.351 2.705 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]CCc3cccc([N+](=O)[O-])c3)C2)CO1 ZINC000925639168 648255542 /nfs/dbraw/zinc/25/55/42/648255542.db2.gz ADSRVMCTBAZGPC-XEBKBJJBSA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000926893101 648648245 /nfs/dbraw/zinc/64/82/45/648648245.db2.gz PXACTRDBWWKXAM-PUHVVEEASA-N 1 0 264.325 2.669 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000926893099 648648641 /nfs/dbraw/zinc/64/86/41/648648641.db2.gz PXACTRDBWWKXAM-MIJXAVMKSA-N 1 0 264.325 2.669 20 5 CFBDRO CC(C)(C)[N@H+](CC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000929833321 649134633 /nfs/dbraw/zinc/13/46/33/649134633.db2.gz HRMJEAVSDVVWEI-UHFFFAOYSA-N 1 0 254.305 2.703 20 5 CFBDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930449005 649250056 /nfs/dbraw/zinc/25/00/56/649250056.db2.gz KRRIBPUVKOOHAY-GXTWGEPZSA-N 1 0 278.352 2.745 20 5 CFBDRO O=[N+]([O-])CC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000930493354 649260696 /nfs/dbraw/zinc/26/06/96/649260696.db2.gz PTMHHQMRADRFLA-UHFFFAOYSA-N 1 0 291.326 2.763 20 5 CFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000930496522 649261340 /nfs/dbraw/zinc/26/13/40/649261340.db2.gz QIBQICYGYDMCRK-SNVBAGLBSA-N 1 0 262.284 2.906 20 5 CFBDRO Cc1cc(F)ccc1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930540298 649270280 /nfs/dbraw/zinc/27/02/80/649270280.db2.gz QPZPCSBWQWCSOB-UHFFFAOYSA-N 1 0 266.316 2.590 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000931354085 649414130 /nfs/dbraw/zinc/41/41/30/649414130.db2.gz JJYWEAOTZUDBTL-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000932177289 649559583 /nfs/dbraw/zinc/55/95/83/649559583.db2.gz WDCWTNHCDZQMBO-ZLDLUXBVSA-N 1 0 276.336 2.672 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H](C)C(C)(C)OC)ccc1[N+](=O)[O-] ZINC000932372507 649586946 /nfs/dbraw/zinc/58/69/46/649586946.db2.gz MYEYVIVAZCUVDQ-NSHDSACASA-N 1 0 296.367 2.897 20 5 CFBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932647892 649633633 /nfs/dbraw/zinc/63/36/33/649633633.db2.gz AFDDUBMDJMELHR-YPMHNXCESA-N 1 0 292.335 2.541 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000932971273 649665436 /nfs/dbraw/zinc/66/54/36/649665436.db2.gz HNROMHGYCHHEIF-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000933705866 649716310 /nfs/dbraw/zinc/71/63/10/649716310.db2.gz NTYYUXNDQKSJEM-ZAZJYDDPSA-N 1 0 291.351 2.759 20 5 CFBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934105831 649750128 /nfs/dbraw/zinc/75/01/28/649750128.db2.gz QFMQPWSUKMUPPI-JSGCOSHPSA-N 1 0 264.325 2.512 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934231357 649764742 /nfs/dbraw/zinc/76/47/42/649764742.db2.gz QKKCHXJSIVQTFP-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO C[C@H]1CSCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000934301484 649770543 /nfs/dbraw/zinc/77/05/43/649770543.db2.gz VFYMYZXUWVCJRH-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO CC[C@@H](C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000696143503 778849141 /nfs/dbraw/zinc/84/91/41/778849141.db2.gz LYZMCZQYHSCFBY-BXUZGUMPSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@H](C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000696143505 778849513 /nfs/dbraw/zinc/84/95/13/778849513.db2.gz LYZMCZQYHSCFBY-FZMZJTMJSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000723986230 770733990 /nfs/dbraw/zinc/73/39/90/770733990.db2.gz AQPLRPOXJZSZER-HIFRSBDPSA-N 1 0 278.352 2.890 20 5 CFBDRO [NH3+]Cc1cccn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001167596014 770958839 /nfs/dbraw/zinc/95/88/39/770958839.db2.gz QTIOVJNNVZVDDK-UHFFFAOYSA-N 1 0 267.288 2.997 20 5 CFBDRO COC[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001167646764 773210592 /nfs/dbraw/zinc/21/05/92/773210592.db2.gz GNQCVMOGHBBJIK-OAHLLOKOSA-N 1 0 292.379 2.872 20 5 CFBDRO Cc1cnc(CO[C@H]2CCC[N@@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC001224182027 775121600 /nfs/dbraw/zinc/12/16/00/775121600.db2.gz DNHWBYCNXXXDSV-ZDUSSCGKSA-N 1 0 293.367 2.608 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224330095 775159142 /nfs/dbraw/zinc/15/91/42/775159142.db2.gz CHDQXMFOOKAYTI-OAHLLOKOSA-N 1 0 278.352 2.637 20 5 CFBDRO CCOc1ccccc1OCCO[C@H](C)C[N+](C)(C)C ZINC001224494157 775202938 /nfs/dbraw/zinc/20/29/38/775202938.db2.gz JBVABJFMJREVKM-CQSZACIVSA-N 1 0 282.404 2.575 20 5 CFBDRO CCOC(=O)C[C@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224618378 775228569 /nfs/dbraw/zinc/22/85/69/775228569.db2.gz FNOASWNEFPPCQD-INIZCTEOSA-N 1 0 294.415 2.794 20 5 CFBDRO C[N+](C)(C)CCCOC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001224621618 775229433 /nfs/dbraw/zinc/22/94/33/775229433.db2.gz YDRKMZGTGKYMED-INIZCTEOSA-N 1 0 291.415 2.683 20 5 CFBDRO C[C@H](COCc1ccccc1)OCCC[N+](C)(C)C ZINC001224623165 775230051 /nfs/dbraw/zinc/23/00/51/775230051.db2.gz LRUPPILHAHDCKX-OAHLLOKOSA-N 1 0 266.405 2.705 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OCCCCOc1ccccc1 ZINC001224713585 775257555 /nfs/dbraw/zinc/25/75/55/775257555.db2.gz RJICBUNAEJLTGL-OAHLLOKOSA-N 1 0 266.405 2.957 20 5 CFBDRO C[N+](C)(C)CCO[C@@H]1Cc2cccc(Br)c2C1 ZINC001224776509 775271041 /nfs/dbraw/zinc/27/10/41/775271041.db2.gz WQKYLLOAHPYXMT-GFCCVEGCSA-N 1 0 299.232 2.639 20 5 CFBDRO COc1ccc(OC(C)C)c(COCC[N+](C)(C)C)c1 ZINC001224775723 775271611 /nfs/dbraw/zinc/27/16/11/775271611.db2.gz NVRIQEGXHBKYBL-UHFFFAOYSA-N 1 0 282.404 2.705 20 5 CFBDRO CCOC(=O)c1ccccc1CCO[C@H](C)C[N+](C)(C)C ZINC001224854099 775291067 /nfs/dbraw/zinc/29/10/67/775291067.db2.gz HBRNXYLQDBPFRU-CQSZACIVSA-N 1 0 294.415 2.517 20 5 CFBDRO COc1ccc(CCCO[C@H](C)C[N+](C)(C)C)cc1OC ZINC001225072501 775349399 /nfs/dbraw/zinc/34/93/99/775349399.db2.gz IQIBHNIDNDCNMK-CQSZACIVSA-N 1 0 296.431 2.748 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225383358 775437249 /nfs/dbraw/zinc/43/72/49/775437249.db2.gz YXGVMIMRWOGNQK-JTQLQIEISA-N 1 0 268.288 2.597 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383919 775437793 /nfs/dbraw/zinc/43/77/93/775437793.db2.gz IUQYYFNKHVYLTK-LLVKDONJSA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC001218028562 775453556 /nfs/dbraw/zinc/45/35/56/775453556.db2.gz GQWBRZSIQBBWQW-YGRLFVJLSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2sccc2c1 ZINC001225452004 775463046 /nfs/dbraw/zinc/46/30/46/775463046.db2.gz ULEWRIQRFTYMMU-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225580134 775510050 /nfs/dbraw/zinc/51/00/50/775510050.db2.gz ZEWSMWOJSIIBPC-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO Cc1c(O[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689930 775559874 /nfs/dbraw/zinc/55/98/74/775559874.db2.gz RPVPCNJFFIDHHJ-GFCCVEGCSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccccc2s1 ZINC001225696819 775562441 /nfs/dbraw/zinc/56/24/41/775562441.db2.gz ZBPSWCMMMWFFAH-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795042 775596428 /nfs/dbraw/zinc/59/64/28/775596428.db2.gz ANRPCAGTPQVYAU-SNVBAGLBSA-N 1 0 268.288 2.597 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225904389 775629696 /nfs/dbraw/zinc/62/96/96/775629696.db2.gz CLPIOKVUCCZEKT-NSHDSACASA-N 1 0 268.288 2.595 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225915734 775633390 /nfs/dbraw/zinc/63/33/90/775633390.db2.gz MKHBEXYBCSZIEU-GFCCVEGCSA-N 1 0 282.315 2.986 20 5 CFBDRO Cc1cc(C)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218400863 775634727 /nfs/dbraw/zinc/63/47/27/775634727.db2.gz XAWQUXOLPGOSEL-VXGBXAGGSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218456147 775675792 /nfs/dbraw/zinc/67/57/92/775675792.db2.gz ZVXHZYPZBAYOBF-SNVBAGLBSA-N 1 0 292.669 2.624 20 5 CFBDRO Cc1ccnc(O[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001226120519 775707439 /nfs/dbraw/zinc/70/74/39/775707439.db2.gz USRBSHGAKYHKRD-LBPRGKRZSA-N 1 0 279.340 2.550 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226255943 775757833 /nfs/dbraw/zinc/75/78/33/775757833.db2.gz QLHMJQQOMZLHLD-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270549 775764074 /nfs/dbraw/zinc/76/40/74/775764074.db2.gz SDHIOMSDYDFQNB-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226365115 775792287 /nfs/dbraw/zinc/79/22/87/775792287.db2.gz YPXHMJUJOHPJDV-SNVBAGLBSA-N 1 0 299.758 2.895 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001226446575 775825150 /nfs/dbraw/zinc/82/51/50/775825150.db2.gz NBJXNADDRGSRPX-ZDUSSCGKSA-N 1 0 294.351 2.855 20 5 CFBDRO Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001226842571 775986847 /nfs/dbraw/zinc/98/68/47/775986847.db2.gz VZNPJSYJYZOQFY-ZDUSSCGKSA-N 1 0 264.325 2.765 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915162 776016246 /nfs/dbraw/zinc/01/62/46/776016246.db2.gz FEGUDHCAGHTWEH-JTQLQIEISA-N 1 0 299.758 2.895 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001226949918 776031568 /nfs/dbraw/zinc/03/15/68/776031568.db2.gz BNZUEBAJRSXOFY-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[N@@H+](C)C1 ZINC001226988690 776049968 /nfs/dbraw/zinc/04/99/68/776049968.db2.gz IGGMRCRQYBAUNL-SECBINFHSA-N 1 0 270.716 2.640 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1noc2cc(Cl)ccc21 ZINC001227190550 776130731 /nfs/dbraw/zinc/13/07/31/776130731.db2.gz VGOVKVCKKBBSNF-VIFPVBQESA-N 1 0 269.752 2.955 20 5 CFBDRO CC[C@H](C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001227322497 776177796 /nfs/dbraw/zinc/17/77/96/776177796.db2.gz DPYKGEUJNBDHBM-DZGCQCFKSA-N 1 0 294.415 2.563 20 5 CFBDRO CC(=O)c1cccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001227343559 776180121 /nfs/dbraw/zinc/18/01/21/776180121.db2.gz QNIYUDQPOXJLKB-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO Cc1cccc2c(O[C@H](C)C[N+](C)(C)C)cc(=O)[nH]c12 ZINC001227920373 776329975 /nfs/dbraw/zinc/32/99/75/776329975.db2.gz XYGFSULWSFGTCV-GFCCVEGCSA-O 1 0 275.372 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2SCCS2)cc1 ZINC000692834584 776362551 /nfs/dbraw/zinc/36/25/51/776362551.db2.gz VZSLXRIPCJBKJD-UHFFFAOYSA-N 1 0 284.406 2.533 20 5 CFBDRO C[NH+](C)C1CCC(Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228016122 776364809 /nfs/dbraw/zinc/36/48/09/776364809.db2.gz AORFYZVBHUYKST-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228135673 776405938 /nfs/dbraw/zinc/40/59/38/776405938.db2.gz LJNPKYHAUQMFIF-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO CC(C)COC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001228398186 776480555 /nfs/dbraw/zinc/48/05/55/776480555.db2.gz MOEYDVMEESTEFR-CQSZACIVSA-N 1 0 294.415 2.973 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(Cl)c1Cl ZINC001228580148 776528181 /nfs/dbraw/zinc/52/81/81/776528181.db2.gz VCTRXHIBAGQHND-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001228915599 776657595 /nfs/dbraw/zinc/65/75/95/776657595.db2.gz HQSNYMFYPQTWNE-DABQJJPHSA-N 1 0 276.336 2.907 20 5 CFBDRO CC(=O)c1c(C)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001228991796 776681466 /nfs/dbraw/zinc/68/14/66/776681466.db2.gz GLGPQUILOUGUQZ-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO O=[N+]([O-])c1cc2cccnc2c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001229343763 776784865 /nfs/dbraw/zinc/78/48/65/776784865.db2.gz GRTHFCWWNUZPFF-OAHLLOKOSA-N 1 0 299.330 2.616 20 5 CFBDRO Cc1cc(O[C@@H](C)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC001229469616 776821339 /nfs/dbraw/zinc/82/13/39/776821339.db2.gz IYRVNXRWURXZNF-NSHDSACASA-N 1 0 252.314 2.541 20 5 CFBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC001229466483 776821421 /nfs/dbraw/zinc/82/14/21/776821421.db2.gz PMHSQZXOMDGMRG-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229915249 776917631 /nfs/dbraw/zinc/91/76/31/776917631.db2.gz MHQCYUQIUDVWBI-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229916876 776917963 /nfs/dbraw/zinc/91/79/63/776917963.db2.gz DJAQTCAEYZIAKH-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1cc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1Cl ZINC001229979283 776931486 /nfs/dbraw/zinc/93/14/86/776931486.db2.gz RKVURNVYIKHZHY-SECBINFHSA-N 1 0 270.716 2.640 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC001204952416 776991653 /nfs/dbraw/zinc/99/16/53/776991653.db2.gz ANTAFINPCLAVMA-VXGBXAGGSA-N 1 0 294.351 2.508 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230872310 777078365 /nfs/dbraw/zinc/07/83/65/777078365.db2.gz LVLOUDIMCQYUCD-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2cncn2C)cc1 ZINC001231083045 777136747 /nfs/dbraw/zinc/13/67/47/777136747.db2.gz BCBCXHTZXUOYNY-CYBMUJFWSA-N 1 0 274.388 2.561 20 5 CFBDRO C[NH+]1CCC(Oc2cnc3c(cccc3[N+](=O)[O-])c2)CC1 ZINC001231159520 777160475 /nfs/dbraw/zinc/16/04/75/777160475.db2.gz XOHFKHNJDVRDEL-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncc(F)cc2c1 ZINC001231168334 777163550 /nfs/dbraw/zinc/16/35/50/777163550.db2.gz DFOVAPKHWJUBLJ-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@]1(O)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219678 777479570 /nfs/dbraw/zinc/47/95/70/777479570.db2.gz YFIUIZTWCQLZBD-SFHVURJKSA-N 1 0 293.370 2.740 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCn1cccn1 ZINC000126734636 777507659 /nfs/dbraw/zinc/50/76/59/777507659.db2.gz PRWWPIXBWFLPHW-UHFFFAOYSA-N 1 0 294.742 2.625 20 5 CFBDRO C=C/C=C/CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000713501163 777646063 /nfs/dbraw/zinc/64/60/63/777646063.db2.gz FLKKNMAXISETGZ-ONEGZZNKSA-N 1 0 250.273 2.956 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000713928409 777879032 /nfs/dbraw/zinc/87/90/32/777879032.db2.gz WMOMJPRLQPMTDK-ZETCQYMHSA-N 1 0 276.695 2.716 20 5 CFBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC001234056290 778154792 /nfs/dbraw/zinc/15/47/92/778154792.db2.gz HYJYNRKNUQNFSX-UHFFFAOYSA-N 1 0 282.315 2.905 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087664 778161978 /nfs/dbraw/zinc/16/19/78/778161978.db2.gz QNSMIOZWFNYPKD-CYBMUJFWSA-N 1 0 279.343 2.866 20 5 CFBDRO O=[N+]([O-])c1c(F)cc(F)cc1OC1CC[NH+](C2CC2)CC1 ZINC001228612601 778173510 /nfs/dbraw/zinc/17/35/10/778173510.db2.gz KBHVTMQNTOLVJS-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO F[C@@H]1CC[NH2+]C[C@@H]1Nc1cc2cccnc2c2ncccc12 ZINC001168231280 778261092 /nfs/dbraw/zinc/26/10/92/778261092.db2.gz MBOGQDZTQTVKTG-HIFRSBDPSA-N 1 0 296.349 2.895 20 5 CFBDRO CC(C)C(=O)N(C)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001234837179 778305999 /nfs/dbraw/zinc/30/59/99/778305999.db2.gz OEGNBVLFCXUJFA-CQSZACIVSA-N 1 0 293.431 2.779 20 5 CFBDRO C[C@@H](CCNCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000697929380 778546197 /nfs/dbraw/zinc/54/61/97/778546197.db2.gz YCOODYXCMFJPEJ-JTQLQIEISA-N 1 0 285.775 2.678 20 5 CFBDRO CCOc1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+](C)C ZINC001168767502 778968391 /nfs/dbraw/zinc/96/83/91/778968391.db2.gz BDURHVBVTSFXFZ-UHFFFAOYSA-N 1 0 295.383 2.993 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c2c1CCC2=O ZINC001234506984 779238635 /nfs/dbraw/zinc/23/86/35/779238635.db2.gz AKEJJSLZZUMUOK-SNVBAGLBSA-N 1 0 282.791 2.942 20 5 CFBDRO COC1CCC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1 ZINC001168613319 780057850 /nfs/dbraw/zinc/05/78/50/780057850.db2.gz GYKAQHIABPJIPU-UHFFFAOYSA-N 1 0 291.351 2.568 20 5 CFBDRO CCCC[NH+](CCCC)Cn1nccc1[N+](=O)[O-] ZINC000123548125 780540171 /nfs/dbraw/zinc/54/01/71/780540171.db2.gz NGOZPDCCCJOYLF-UHFFFAOYSA-N 1 0 254.334 2.651 20 5 CFBDRO Cc1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000703579267 781034926 /nfs/dbraw/zinc/03/49/26/781034926.db2.gz PANBDAUFHPWENP-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO CC1([NH3+])CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000704581313 781106856 /nfs/dbraw/zinc/10/68/56/781106856.db2.gz LVXQPFFCHFAPGK-UHFFFAOYSA-N 1 0 269.732 2.566 20 5 CFBDRO CSC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000706747280 781199890 /nfs/dbraw/zinc/19/98/90/781199890.db2.gz UNIHKLVAMAPEIN-UHFFFAOYSA-N 1 0 266.366 2.621 20 5 CFBDRO [NH3+][C@H]1CCCCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000709043686 781287835 /nfs/dbraw/zinc/28/78/35/781287835.db2.gz XKLCPWQYSSMOEX-ZDUSSCGKSA-N 1 0 297.786 2.952 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)c1 ZINC000711463487 781441093 /nfs/dbraw/zinc/44/10/93/781441093.db2.gz RERHYFLUHDJYNG-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO COCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594513350 349436664 /nfs/dbraw/zinc/43/66/64/349436664.db2.gz XUBCMKFQMWNWSH-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO COCC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000594512010 349436497 /nfs/dbraw/zinc/43/64/97/349436497.db2.gz SHCQDADXYCIOJB-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594519866 349439838 /nfs/dbraw/zinc/43/98/38/349439838.db2.gz MEVZPXZSMGOBCZ-HOTGVXAUSA-N 1 0 289.379 2.701 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594518363 349440064 /nfs/dbraw/zinc/44/00/64/349440064.db2.gz PNMSFCKMYYXRBU-JTQLQIEISA-N 1 0 277.349 2.772 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594521844 349440748 /nfs/dbraw/zinc/44/07/48/349440748.db2.gz UWDSEEZYHUYRPR-CVEARBPZSA-N 1 0 289.379 2.701 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000594594703 349455170 /nfs/dbraw/zinc/45/51/70/349455170.db2.gz PXYGXMRPLXXXJR-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO Cc1ccnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594604393 349459645 /nfs/dbraw/zinc/45/96/45/349459645.db2.gz YWDKTSXETDBCHB-QWHCGFSZSA-N 1 0 290.367 2.727 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594614382 349464333 /nfs/dbraw/zinc/46/43/33/349464333.db2.gz GKPVKXLNIGUZGG-LLBKUYECSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124509049 187140645 /nfs/dbraw/zinc/14/06/45/187140645.db2.gz FBMGVGYJNMMMSJ-BXUZGUMPSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000594732735 349483100 /nfs/dbraw/zinc/48/31/00/349483100.db2.gz XJEGYCWCEMBQRK-NWDGAFQWSA-N 1 0 276.336 2.957 20 5 CFBDRO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594925137 349511434 /nfs/dbraw/zinc/51/14/34/349511434.db2.gz LEOZGSUZNFZVLO-LLVKDONJSA-N 1 0 286.335 2.588 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594955515 349527238 /nfs/dbraw/zinc/52/72/38/349527238.db2.gz AFJVVWUFCDXIQB-CYBMUJFWSA-N 1 0 277.368 2.557 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594956189 349527998 /nfs/dbraw/zinc/52/79/98/349527998.db2.gz HTILUEISTHUPPJ-OAHLLOKOSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594955879 349528259 /nfs/dbraw/zinc/52/82/59/349528259.db2.gz GKKHGLIMJHBHMB-AWEZNQCLSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594958037 349529166 /nfs/dbraw/zinc/52/91/66/349529166.db2.gz XZNNUBLXQVBGHM-AWEZNQCLSA-N 1 0 291.395 2.866 20 5 CFBDRO COC1CC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000594962886 349531984 /nfs/dbraw/zinc/53/19/84/349531984.db2.gz MUXBUVVPMTWILN-UHFFFAOYSA-N 1 0 270.354 2.561 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594973486 349535764 /nfs/dbraw/zinc/53/57/64/349535764.db2.gz CUFKUVZSKXXCNJ-BRLPQQTGSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccccc1[N+](=O)[O-] ZINC000594980763 349537545 /nfs/dbraw/zinc/53/75/45/349537545.db2.gz RQCBUKLWPCFTNF-AWEZNQCLSA-N 1 0 291.395 2.805 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000594982519 349537720 /nfs/dbraw/zinc/53/77/20/349537720.db2.gz UQQQHNCCPWIYOQ-UHFFFAOYSA-N 1 0 276.292 2.529 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000594984943 349538845 /nfs/dbraw/zinc/53/88/45/349538845.db2.gz RNRLMJVEFHEKKU-NHAGDIPZSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594983021 349539290 /nfs/dbraw/zinc/53/92/90/349539290.db2.gz DZPKKJSNDVIBJD-NSHDSACASA-N 1 0 256.252 2.730 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000595011205 349547929 /nfs/dbraw/zinc/54/79/29/349547929.db2.gz BPIZHCPZNAKWBC-RYUDHWBXSA-N 1 0 295.383 2.594 20 5 CFBDRO COC1([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000595035702 349558332 /nfs/dbraw/zinc/55/83/32/349558332.db2.gz LEMOYFXTFNVNTR-LBPRGKRZSA-N 1 0 278.352 2.685 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035381 349558357 /nfs/dbraw/zinc/55/83/57/349558357.db2.gz IQJNYPGBHNNCQJ-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000595018963 349551922 /nfs/dbraw/zinc/55/19/22/349551922.db2.gz VADVYTFTLVLGCC-NEPJUHHUSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000595020048 349552254 /nfs/dbraw/zinc/55/22/54/349552254.db2.gz SJHRDRWQUSPCHM-IAQYHMDHSA-N 1 0 296.367 2.661 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021587 349553157 /nfs/dbraw/zinc/55/31/57/349553157.db2.gz PWRPGEPRNDJEAH-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000595056894 349568322 /nfs/dbraw/zinc/56/83/22/349568322.db2.gz SCTNPGWUZFVHQG-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595056644 349568378 /nfs/dbraw/zinc/56/83/78/349568378.db2.gz OUVCGLVLPGNYKC-RISCZKNCSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595056643 349568662 /nfs/dbraw/zinc/56/86/62/349568662.db2.gz OUVCGLVLPGNYKC-FZMZJTMJSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/CO ZINC000595066168 349572166 /nfs/dbraw/zinc/57/21/66/349572166.db2.gz DKQUXPLZKJOBMH-BTDICHCPSA-N 1 0 296.392 2.604 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595068049 349573554 /nfs/dbraw/zinc/57/35/54/349573554.db2.gz NUESYFBGVGXLQY-JKOKRWQUSA-N 1 0 264.325 2.813 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1(O)CCC1 ZINC000595037957 349559157 /nfs/dbraw/zinc/55/91/57/349559157.db2.gz AVJLLWCDHNFGNE-NSHDSACASA-N 1 0 294.351 2.559 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595076287 349575223 /nfs/dbraw/zinc/57/52/23/349575223.db2.gz HIYMEYVYQQEXEJ-NWANDNLSSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cncc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000595088765 349577213 /nfs/dbraw/zinc/57/72/13/349577213.db2.gz CYSSSEWAPOUNPN-HNNXBMFYSA-N 1 0 298.346 2.513 20 5 CFBDRO C[C@@H]1C[NH+](CCCNc2ccsc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000067911503 346827562 /nfs/dbraw/zinc/82/75/62/346827562.db2.gz INHHYKFIXLCKNH-GHMZBOCLSA-N 1 0 299.396 2.568 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC)cc1[N+](=O)[O-] ZINC000595108446 349583177 /nfs/dbraw/zinc/58/31/77/349583177.db2.gz PXLCGKDZEPLDKO-KMUNFCNLSA-N 1 0 294.351 2.822 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595106114 349583386 /nfs/dbraw/zinc/58/33/86/349583386.db2.gz ILNAKLKULRALIH-BMFZPTHFSA-N 1 0 290.363 2.683 20 5 CFBDRO CC1(C)OCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595110238 349583897 /nfs/dbraw/zinc/58/38/97/349583897.db2.gz ZHCAZVVAXKGNHA-SMDDNHRTSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC000595070575 349574411 /nfs/dbraw/zinc/57/44/11/349574411.db2.gz YECUJXWQGUDKQU-WCQYABFASA-N 1 0 298.289 2.596 20 5 CFBDRO C[C@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595335997 349604608 /nfs/dbraw/zinc/60/46/08/349604608.db2.gz VVEYIDAYUWDNTL-UWVGGRQHSA-N 1 0 252.289 2.822 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595324211 349602007 /nfs/dbraw/zinc/60/20/07/349602007.db2.gz CCMZPSZXWBYZFL-ZJUUUORDSA-N 1 0 267.329 2.902 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328374 349602166 /nfs/dbraw/zinc/60/21/66/349602166.db2.gz ITDDPXQKHICNAL-ZFWWWQNUSA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328372 349602379 /nfs/dbraw/zinc/60/23/79/349602379.db2.gz ITDDPXQKHICNAL-HIFRSBDPSA-N 1 0 296.342 2.859 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595323907 349602533 /nfs/dbraw/zinc/60/25/33/349602533.db2.gz CCMZPSZXWBYZFL-NXEZZACHSA-N 1 0 267.329 2.902 20 5 CFBDRO C[C@@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595335996 349604070 /nfs/dbraw/zinc/60/40/70/349604070.db2.gz VVEYIDAYUWDNTL-NXEZZACHSA-N 1 0 252.289 2.822 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291968 349592280 /nfs/dbraw/zinc/59/22/80/349592280.db2.gz NPUQWHUZQWOMQY-VIFPVBQESA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000273096052 192041684 /nfs/dbraw/zinc/04/16/84/192041684.db2.gz URAHGVQZSXKDIY-STQMWFEESA-N 1 0 278.352 2.890 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413358 349618686 /nfs/dbraw/zinc/61/86/86/349618686.db2.gz ZOHIYKZPWYEKTI-WCBMZHEXSA-N 1 0 253.302 2.654 20 5 CFBDRO Cc1noc(C[NH2+]C(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000595421994 349619849 /nfs/dbraw/zinc/61/98/49/349619849.db2.gz DFDQLBSCFFLFIM-UHFFFAOYSA-N 1 0 255.318 2.661 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000068658662 346862821 /nfs/dbraw/zinc/86/28/21/346862821.db2.gz KDNOZVSLEQOXGM-VIFPVBQESA-N 1 0 281.337 2.964 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000595422487 349620842 /nfs/dbraw/zinc/62/08/42/349620842.db2.gz HKWFDKBTWRMRGE-FRRDWIJNSA-N 1 0 287.363 2.784 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595433592 349625108 /nfs/dbraw/zinc/62/51/08/349625108.db2.gz YCFVWHQIPRDZKE-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000125498170 187187991 /nfs/dbraw/zinc/18/79/91/187187991.db2.gz UNYSXWWYYRNWQI-GFCCVEGCSA-N 1 0 291.351 2.574 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595447348 349628754 /nfs/dbraw/zinc/62/87/54/349628754.db2.gz CINQYVONBZFKPQ-NHYWBVRUSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595452139 349630425 /nfs/dbraw/zinc/63/04/25/349630425.db2.gz YJDMYXISUPGIAT-NSHDSACASA-N 1 0 267.329 2.759 20 5 CFBDRO Cc1noc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000595467583 349635416 /nfs/dbraw/zinc/63/54/16/349635416.db2.gz HXMJFLBWWYBVHS-YUMQZZPRSA-N 1 0 293.245 2.664 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1COC(C)(C)C1 ZINC000595483281 349639503 /nfs/dbraw/zinc/63/95/03/349639503.db2.gz FLZSMBGKNLQKAC-ZDUSSCGKSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595485534 349639889 /nfs/dbraw/zinc/63/98/89/349639889.db2.gz UXTRKRPCRGEVTC-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595488678 349641005 /nfs/dbraw/zinc/64/10/05/349641005.db2.gz IFZUEZGPDVCVSI-HNNXBMFYSA-N 1 0 296.342 2.718 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595494924 349642468 /nfs/dbraw/zinc/64/24/68/349642468.db2.gz DUNPHZYIKMHDOC-NSHDSACASA-N 1 0 265.313 2.513 20 5 CFBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000068916295 346876438 /nfs/dbraw/zinc/87/64/38/346876438.db2.gz KTRKJMIAMMAEAI-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000595529117 349652362 /nfs/dbraw/zinc/65/23/62/349652362.db2.gz HNHWGFWVBQKQQC-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595592956 349667702 /nfs/dbraw/zinc/66/77/02/349667702.db2.gz LVQJTSHTRWNUDI-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326507 346909611 /nfs/dbraw/zinc/90/96/11/346909611.db2.gz WZSMJNKXQKUFSM-OCCSQVGLSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742767 349721908 /nfs/dbraw/zinc/72/19/08/349721908.db2.gz JSGBRYIYPNQHCX-IATRGZMQSA-N 1 0 292.379 2.913 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595703510 349710410 /nfs/dbraw/zinc/71/04/10/349710410.db2.gz SXSHECXXOZKTHR-XHDPSFHLSA-N 1 0 296.342 2.717 20 5 CFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595765641 349726995 /nfs/dbraw/zinc/72/69/95/349726995.db2.gz NFKNZDDSZYTFEA-CQSZACIVSA-N 1 0 291.351 2.702 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595765816 349727252 /nfs/dbraw/zinc/72/72/52/349727252.db2.gz PENRLPWHSXOOOM-CQSZACIVSA-N 1 0 264.325 2.752 20 5 CFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595765640 349727499 /nfs/dbraw/zinc/72/74/99/349727499.db2.gz NFKNZDDSZYTFEA-AWEZNQCLSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595873277 349759895 /nfs/dbraw/zinc/75/98/95/349759895.db2.gz LFHGYVFEFJCECV-DVOMOZLQSA-N 1 0 292.379 2.915 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]1(C)CO ZINC000595880776 349761136 /nfs/dbraw/zinc/76/11/36/349761136.db2.gz ZEKPIAAKMARTNX-IINYFYTJSA-N 1 0 298.770 2.699 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432174010 290031412 /nfs/dbraw/zinc/03/14/12/290031412.db2.gz DPEGOTCMDLISET-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596094459 349792844 /nfs/dbraw/zinc/79/28/44/349792844.db2.gz RGOQYHLKMMHLFY-SNVBAGLBSA-N 1 0 269.370 2.859 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCCF)CCC2 ZINC000596095071 349794082 /nfs/dbraw/zinc/79/40/82/349794082.db2.gz OIFMMVBWXKCPBF-AWEZNQCLSA-N 1 0 282.315 2.548 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCCF)CCCC2 ZINC000596096698 349794101 /nfs/dbraw/zinc/79/41/01/349794101.db2.gz XITSHVIKOOSFCV-HNNXBMFYSA-N 1 0 296.342 2.938 20 5 CFBDRO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596110119 349796577 /nfs/dbraw/zinc/79/65/77/349796577.db2.gz JBPPZCLOABGDGE-QMMMGPOBSA-N 1 0 269.370 2.859 20 5 CFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000596268849 349848042 /nfs/dbraw/zinc/84/80/42/349848042.db2.gz LGMZYPWIYTXFAY-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1cnc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308806 349858869 /nfs/dbraw/zinc/85/88/69/349858869.db2.gz VUULYJRRENQJNS-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000128101983 187350960 /nfs/dbraw/zinc/35/09/60/187350960.db2.gz QLKHAUHXJMXWIH-UHFFFAOYSA-N 1 0 289.379 2.559 20 5 CFBDRO CCC(=O)c1ccc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596427221 349900092 /nfs/dbraw/zinc/90/00/92/349900092.db2.gz BIFWWCFVFGMKBA-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO CC[NH+]1CCC(CCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074766805 347031507 /nfs/dbraw/zinc/03/15/07/347031507.db2.gz CWLIVJBKNKDDBU-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000596477849 349913799 /nfs/dbraw/zinc/91/37/99/349913799.db2.gz KWIMMGSGYXOYPC-ZDUSSCGKSA-N 1 0 290.367 2.809 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116279866 232194363 /nfs/dbraw/zinc/19/43/63/232194363.db2.gz RNIMJXZMQSYPRB-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000596542212 349936774 /nfs/dbraw/zinc/93/67/74/349936774.db2.gz LDFUWKPHTHRDQO-UHFFFAOYSA-N 1 0 280.372 2.831 20 5 CFBDRO Cc1c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000173610625 232278615 /nfs/dbraw/zinc/27/86/15/232278615.db2.gz WNTWFCWSNSUFSB-GHMZBOCLSA-N 1 0 291.351 2.715 20 5 CFBDRO Cc1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000037649786 346332312 /nfs/dbraw/zinc/33/23/12/346332312.db2.gz WZLVLZURSRHFFD-GFCCVEGCSA-N 1 0 275.352 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)cc1 ZINC000038978511 346340584 /nfs/dbraw/zinc/34/05/84/346340584.db2.gz BYVMKFYJDXNOCV-UHFFFAOYSA-N 1 0 261.325 2.635 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000046055571 346419051 /nfs/dbraw/zinc/41/90/51/346419051.db2.gz IZIFYBPTGSVOQF-GFCCVEGCSA-N 1 0 264.325 2.706 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000085676016 179112738 /nfs/dbraw/zinc/11/27/38/179112738.db2.gz REAAPTVSHJXWOE-CFVMTHIKSA-N 1 0 290.363 2.888 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000063738857 346709174 /nfs/dbraw/zinc/70/91/74/346709174.db2.gz SGYCQPOUBYSEGV-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000066410725 346758516 /nfs/dbraw/zinc/75/85/16/346758516.db2.gz QCTOWGPCUGNNSV-UHFFFAOYSA-N 1 0 255.343 2.553 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000128448466 187371682 /nfs/dbraw/zinc/37/16/82/187371682.db2.gz GYQHGKKATUSYTQ-MWLCHTKSSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccncc2[N+](=O)[O-])C1 ZINC000066809062 346780393 /nfs/dbraw/zinc/78/03/93/346780393.db2.gz IFFLETLHZZJMHS-CYBMUJFWSA-N 1 0 292.383 2.914 20 5 CFBDRO CCC1(O)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075859262 347103204 /nfs/dbraw/zinc/10/32/04/347103204.db2.gz MSCVFICSFSWFCF-LBPRGKRZSA-N 1 0 278.352 2.893 20 5 CFBDRO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404423 347136612 /nfs/dbraw/zinc/13/66/12/347136612.db2.gz FSTAGPONJBWXNA-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ccncc1[N+](=O)[O-] ZINC000076270246 347131827 /nfs/dbraw/zinc/13/18/27/347131827.db2.gz RKXYXNKCKVEUQD-UHFFFAOYSA-N 1 0 280.372 2.914 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]C2CCCCC2)nc1 ZINC000079121067 347290547 /nfs/dbraw/zinc/29/05/47/347290547.db2.gz PRTYESRHFSOULS-UHFFFAOYSA-N 1 0 278.356 2.714 20 5 CFBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000078526747 347260155 /nfs/dbraw/zinc/26/01/55/347260155.db2.gz GPHKPAVGFRSEJV-CYBMUJFWSA-N 1 0 290.367 2.666 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000080611251 347369620 /nfs/dbraw/zinc/36/96/20/347369620.db2.gz KXLOTLCXBZKQFL-AWEZNQCLSA-N 1 0 275.352 2.578 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000090774128 347556397 /nfs/dbraw/zinc/55/63/97/347556397.db2.gz FYYAASWYCYUHNV-YUELXQCFSA-N 1 0 290.363 2.685 20 5 CFBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091480276 347589330 /nfs/dbraw/zinc/58/93/30/347589330.db2.gz YYJNCWHYQNNWLT-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)C1CCCCC1 ZINC000092623279 347635311 /nfs/dbraw/zinc/63/53/11/347635311.db2.gz QFFYXDISIDHABV-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@H](O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092969463 347656024 /nfs/dbraw/zinc/65/60/24/347656024.db2.gz LEJZFNIDNBNGFM-BPJJOFIESA-N 1 0 290.363 2.701 20 5 CFBDRO C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000093457227 347674800 /nfs/dbraw/zinc/67/48/00/347674800.db2.gz WCAQKTAARRUQND-SOFGYWHQSA-N 1 0 289.379 2.634 20 5 CFBDRO Cc1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000093503061 347677568 /nfs/dbraw/zinc/67/75/68/347677568.db2.gz YPJNONCDEYMGTI-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000113541961 347767881 /nfs/dbraw/zinc/76/78/81/347767881.db2.gz SNKJXYIOEIKKDO-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[C@H](O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114771604 347775270 /nfs/dbraw/zinc/77/52/70/347775270.db2.gz OIKFFXUNDZTFCP-NSHDSACASA-N 1 0 290.319 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOC2CCCC2)cc1 ZINC000111638027 347755423 /nfs/dbraw/zinc/75/54/23/347755423.db2.gz INROXJMNTCCQTA-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cscn1 ZINC000138784778 347917439 /nfs/dbraw/zinc/91/74/39/347917439.db2.gz HJFIXSYGCHSWLI-UHFFFAOYSA-N 1 0 293.348 2.562 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151211032 347960165 /nfs/dbraw/zinc/96/01/65/347960165.db2.gz BPAVFFGVLZSNAT-HIFRSBDPSA-N 1 0 294.395 2.913 20 5 CFBDRO Cc1c(C[N@@H+]2CCCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000156962113 347998360 /nfs/dbraw/zinc/99/83/60/347998360.db2.gz YXCUVIKWPZSJLX-CQSZACIVSA-N 1 0 278.352 2.640 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000172974638 348105479 /nfs/dbraw/zinc/10/54/79/348105479.db2.gz YCRVCUWMHZTWJI-OKILXGFUSA-N 1 0 276.336 2.561 20 5 CFBDRO COc1cc(C[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184232781 348127267 /nfs/dbraw/zinc/12/72/67/348127267.db2.gz BSZLSCVLKPBEQK-SECBINFHSA-N 1 0 282.315 2.973 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000215680168 348163122 /nfs/dbraw/zinc/16/31/22/348163122.db2.gz WPTJIVYJSQDRIC-CYBMUJFWSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(O)CC2)c(Cl)c1 ZINC000227765158 348190915 /nfs/dbraw/zinc/19/09/15/348190915.db2.gz QHYGPRRNPZPDDH-UHFFFAOYSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000251798628 348293965 /nfs/dbraw/zinc/29/39/65/348293965.db2.gz NYTGZHXDQPRIBR-JMSVASOKSA-N 1 0 277.368 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000305850070 348382631 /nfs/dbraw/zinc/38/26/31/348382631.db2.gz UQEXRALXYDOHME-NHYWBVRUSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)CC1 ZINC000293256237 348361638 /nfs/dbraw/zinc/36/16/38/348361638.db2.gz UEYVYQJWRAKRQM-STQMWFEESA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000311882651 348415570 /nfs/dbraw/zinc/41/55/70/348415570.db2.gz NHAWOWFFBSDQOQ-VIFPVBQESA-N 1 0 286.763 2.784 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000273360238 192125936 /nfs/dbraw/zinc/12/59/36/192125936.db2.gz DBPJWXSRIYXJMV-OLZOCXBDSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCCC2)c(F)c1 ZINC000313288783 348422750 /nfs/dbraw/zinc/42/27/50/348422750.db2.gz FLXHNLCOMCKFTG-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO [NH3+]C[C@H]1Cc2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000328301707 348440455 /nfs/dbraw/zinc/44/04/55/348440455.db2.gz BUFWIZBBNJWNII-CQSZACIVSA-N 1 0 297.358 2.732 20 5 CFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413137235 233023046 /nfs/dbraw/zinc/02/30/46/233023046.db2.gz OPKINDAGHVZDRC-QWRGUYRKSA-N 1 0 296.346 2.804 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000273448225 192154563 /nfs/dbraw/zinc/15/45/63/192154563.db2.gz KPDIURFRKJJRQQ-OAHLLOKOSA-N 1 0 292.379 2.790 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000588081899 348771250 /nfs/dbraw/zinc/77/12/50/348771250.db2.gz ZBNNQEKYDZZXOI-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1 ZINC000585754392 348742720 /nfs/dbraw/zinc/74/27/20/348742720.db2.gz LTYQUVMJRGSTFO-UHFFFAOYSA-N 1 0 288.351 2.658 20 5 CFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000590751801 348941993 /nfs/dbraw/zinc/94/19/93/348941993.db2.gz JGNAAJSXMRGFSR-UHTWSYAYSA-N 1 0 292.335 2.587 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000590646895 348920258 /nfs/dbraw/zinc/92/02/58/348920258.db2.gz VBCCJAAVXPCIJT-KGLIPLIRSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000590646897 348920318 /nfs/dbraw/zinc/92/03/18/348920318.db2.gz VBCCJAAVXPCIJT-ZIAGYGMSSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282622 349006290 /nfs/dbraw/zinc/00/62/90/349006290.db2.gz HSEBEMXXEKQSHL-CQSZACIVSA-N 1 0 289.379 2.668 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000049129755 522597452 /nfs/dbraw/zinc/59/74/52/522597452.db2.gz GCWQGAZBEYFZTA-AWEZNQCLSA-N 1 0 266.341 2.998 20 5 CFBDRO Cc1cccc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591444721 349022737 /nfs/dbraw/zinc/02/27/37/349022737.db2.gz JYOCQLNCQYAMBA-UONOGXRCSA-N 1 0 289.379 2.729 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000592134188 349089243 /nfs/dbraw/zinc/08/92/43/349089243.db2.gz JJULIIMSSDYLJQ-GDBMZVCRSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592356866 349107958 /nfs/dbraw/zinc/10/79/58/349107958.db2.gz IWRKAVNXFLTCIC-SKDRFNHKSA-N 1 0 288.307 2.554 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363861 349109809 /nfs/dbraw/zinc/10/98/09/349109809.db2.gz KBPMDVGZQRLKKE-TZMCWYRMSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592374956 349111366 /nfs/dbraw/zinc/11/13/66/349111366.db2.gz NDHDHZCAJVHCJN-FZSTZKMBSA-N 1 0 292.379 2.995 20 5 CFBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592374997 349111393 /nfs/dbraw/zinc/11/13/93/349111393.db2.gz OZQQHRLENMSLAJ-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000592374898 349111398 /nfs/dbraw/zinc/11/13/98/349111398.db2.gz PCCGVLOOSBWSBI-AWEZNQCLSA-N 1 0 266.341 2.626 20 5 CFBDRO CCCC[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000592375566 349112249 /nfs/dbraw/zinc/11/22/49/349112249.db2.gz XJGLMVQIQPWUPV-AWEZNQCLSA-N 1 0 266.341 2.626 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000592995936 349182797 /nfs/dbraw/zinc/18/27/97/349182797.db2.gz JKWIIFSPXXFCEP-LLVKDONJSA-N 1 0 292.335 2.756 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000593027611 349189510 /nfs/dbraw/zinc/18/95/10/349189510.db2.gz SUWNLCRNGKBWIC-ZWNOBZJWSA-N 1 0 292.335 2.660 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593117127 349213454 /nfs/dbraw/zinc/21/34/54/349213454.db2.gz PARXLLXCVFTVHE-CYBMUJFWSA-N 1 0 298.289 2.835 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119538 349215619 /nfs/dbraw/zinc/21/56/19/349215619.db2.gz ZLPZRLOGBRMPCX-ZDUSSCGKSA-N 1 0 298.289 2.835 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2(O)CC2)CC1 ZINC000593048258 349193293 /nfs/dbraw/zinc/19/32/93/349193293.db2.gz BFBRYIHVBNPACV-GFCCVEGCSA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593461755 349275729 /nfs/dbraw/zinc/27/57/29/349275729.db2.gz PEHOBFUSPMBSDS-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)C[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000593479372 349278857 /nfs/dbraw/zinc/27/88/57/349278857.db2.gz CAHMQOBZMOQSBJ-UHFFFAOYSA-N 1 0 284.335 2.519 20 5 CFBDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593718996 349314529 /nfs/dbraw/zinc/31/45/29/349314529.db2.gz SOEDGHPJYRXXJR-GFCCVEGCSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC000594053472 349365336 /nfs/dbraw/zinc/36/53/36/349365336.db2.gz QBJAXCSGHDHOTG-CQSZACIVSA-N 1 0 292.383 2.836 20 5 CFBDRO COCCC1C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000597184356 350047332 /nfs/dbraw/zinc/04/73/32/350047332.db2.gz SLGHNKOOVKGAEA-MDWZMJQESA-N 1 0 290.363 2.966 20 5 CFBDRO Cc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1C ZINC000090539935 180000167 /nfs/dbraw/zinc/00/01/67/180000167.db2.gz FPIMFSPOQHMWOC-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(Cl)c1 ZINC000414577687 233297394 /nfs/dbraw/zinc/29/73/94/233297394.db2.gz OZPDBQJDNYAPNL-JQWIXIFHSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000414577688 233297747 /nfs/dbraw/zinc/29/77/47/233297747.db2.gz OZPDBQJDNYAPNL-PWSUYJOCSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1c(NC(=O)NC(C)(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000414710837 233335389 /nfs/dbraw/zinc/33/53/89/233335389.db2.gz RZYYWIPQLRTDQY-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO O=[N+]([O-])c1cccc(CNCC[NH2+]C2CCCCCC2)c1 ZINC000414817048 233364471 /nfs/dbraw/zinc/36/44/71/233364471.db2.gz YWNPBVCOGFTSSX-UHFFFAOYSA-N 1 0 291.395 2.997 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414910448 233395898 /nfs/dbraw/zinc/39/58/98/233395898.db2.gz CWBCAQVWSZUWCQ-GHMZBOCLSA-N 1 0 283.759 2.608 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNCC[C@@H]1C ZINC000414910958 233397291 /nfs/dbraw/zinc/39/72/91/233397291.db2.gz CXNQQBORXFQLKA-GZBFAFLISA-N 1 0 291.395 2.504 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091929710 180288264 /nfs/dbraw/zinc/28/82/64/180288264.db2.gz NHYVKYZZIDHOEY-NSHDSACASA-N 1 0 294.351 2.844 20 5 CFBDRO CC1CC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000598678955 350308871 /nfs/dbraw/zinc/30/88/71/350308871.db2.gz BDGRUUQODNSFEN-PQAZSJQKSA-N 1 0 292.383 2.911 20 5 CFBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598678433 350309084 /nfs/dbraw/zinc/30/90/84/350309084.db2.gz YBIQWMLHXYQHHZ-ZZEYUXRUSA-N 1 0 290.363 2.558 20 5 CFBDRO Cc1c(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000598979178 350353046 /nfs/dbraw/zinc/35/30/46/350353046.db2.gz ZEOLHPTYPWTLBK-AWEZNQCLSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CO2 ZINC000598986036 350354088 /nfs/dbraw/zinc/35/40/88/350354088.db2.gz DVWMPYRQZSDLEH-CQSZACIVSA-N 1 0 298.342 2.997 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000599000808 350357373 /nfs/dbraw/zinc/35/73/73/350357373.db2.gz WFFGIZRQPBXYAR-FJJYHAOUSA-N 1 0 278.352 2.805 20 5 CFBDRO C/C=C/C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000599006399 350358264 /nfs/dbraw/zinc/35/82/64/350358264.db2.gz WMPAOXKIABDOAP-ONEGZZNKSA-N 1 0 286.335 2.661 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3COC3)o2)cc1 ZINC000599011469 350358959 /nfs/dbraw/zinc/35/89/59/350358959.db2.gz IRXRJFJCCDGBTH-UHFFFAOYSA-N 1 0 288.303 2.591 20 5 CFBDRO CC[NH+](CC)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599013188 350358983 /nfs/dbraw/zinc/35/89/83/350358983.db2.gz DWAOTIZSOUAQGF-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO CN(C[C@@H]1CCCO1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599038788 350362847 /nfs/dbraw/zinc/36/28/47/350362847.db2.gz SJBIWXDDGBFGKB-LBPRGKRZSA-N 1 0 287.319 2.758 20 5 CFBDRO C/C=C/CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078735 350371577 /nfs/dbraw/zinc/37/15/77/350371577.db2.gz DTJNBIQNILXYFG-RDFMZFSFSA-N 1 0 286.335 2.583 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084978 350373468 /nfs/dbraw/zinc/37/34/68/350373468.db2.gz HOPBVSSIPNRCIU-XEGUGMAKSA-N 1 0 276.336 2.813 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000599083862 350373620 /nfs/dbraw/zinc/37/36/20/350373620.db2.gz NBXMBIKXTCUAPK-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599092014 350374465 /nfs/dbraw/zinc/37/44/65/350374465.db2.gz NOBMMQBJMZFBFF-SGMGOOAPSA-N 1 0 278.352 2.979 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000599098154 350376041 /nfs/dbraw/zinc/37/60/41/350376041.db2.gz PQVGEGSIADUECM-UHFFFAOYSA-N 1 0 293.367 2.988 20 5 CFBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599127172 350381062 /nfs/dbraw/zinc/38/10/62/350381062.db2.gz QMNSBYOTPLFVPO-ZDUSSCGKSA-N 1 0 290.367 2.809 20 5 CFBDRO Cc1cnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599163584 350387576 /nfs/dbraw/zinc/38/75/76/350387576.db2.gz DXVRFXNMYSCQNF-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO COC(=O)CCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599354828 350421007 /nfs/dbraw/zinc/42/10/07/350421007.db2.gz ROEXWMQWRJXONR-GFCCVEGCSA-N 1 0 294.351 2.897 20 5 CFBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092326148 180362719 /nfs/dbraw/zinc/36/27/19/180362719.db2.gz IZJYLHQJVKOSHJ-JTQLQIEISA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092326149 180363113 /nfs/dbraw/zinc/36/31/13/180363113.db2.gz IZJYLHQJVKOSHJ-SNVBAGLBSA-N 1 0 288.351 2.796 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599624449 350466346 /nfs/dbraw/zinc/46/63/46/350466346.db2.gz FDSAMSVUFYSXRL-OZWUEAAUSA-N 1 0 294.351 2.505 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000599627798 350467215 /nfs/dbraw/zinc/46/72/15/350467215.db2.gz ZHWGYKSPFPTMQI-PUXPGTEJSA-N 1 0 282.315 2.635 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](CCF)C1 ZINC000599641613 350471137 /nfs/dbraw/zinc/47/11/37/350471137.db2.gz JFGKUSFVQQPTAU-VXGBXAGGSA-N 1 0 282.315 2.716 20 5 CFBDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000600140892 350518652 /nfs/dbraw/zinc/51/86/52/350518652.db2.gz ARHSQNKGGHHTGD-CHWSQXEVSA-N 1 0 280.372 2.597 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000107830608 186194054 /nfs/dbraw/zinc/19/40/54/186194054.db2.gz SJFHPLCHIYPGSX-WDEREUQCSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1CCCO ZINC000107904923 186197581 /nfs/dbraw/zinc/19/75/81/186197581.db2.gz IOUIMSBDEAZJMC-NSHDSACASA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000600679256 350596348 /nfs/dbraw/zinc/59/63/48/350596348.db2.gz ULEONRLJEPRTAL-ZDUSSCGKSA-N 1 0 295.770 2.622 20 5 CFBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709676 350599201 /nfs/dbraw/zinc/59/92/01/350599201.db2.gz PKNRTKSMACNYDX-RISCZKNCSA-N 1 0 275.352 2.530 20 5 CFBDRO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600710698 350599330 /nfs/dbraw/zinc/59/93/30/350599330.db2.gz RWCCOINODFSYND-LSDHHAIUSA-N 1 0 289.379 2.920 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000600712478 350599838 /nfs/dbraw/zinc/59/98/38/350599838.db2.gz XPUVWQZVBLIDJD-WXHSDQCUSA-N 1 0 277.368 2.694 20 5 CFBDRO CCC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600715053 350599874 /nfs/dbraw/zinc/59/98/74/350599874.db2.gz XMFMSIPAQVFVRA-GLQYFDAESA-N 1 0 277.368 2.776 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000600712476 350600297 /nfs/dbraw/zinc/60/02/97/350600297.db2.gz XPUVWQZVBLIDJD-KGYLQXTDSA-N 1 0 277.368 2.694 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000109794645 186272058 /nfs/dbraw/zinc/27/20/58/186272058.db2.gz SEEROGHVNUQIEE-UHFFFAOYSA-N 1 0 286.335 2.628 20 5 CFBDRO CCN(CC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600778348 350609746 /nfs/dbraw/zinc/60/97/46/350609746.db2.gz YRLYVCMWFXKMEX-UHFFFAOYSA-N 1 0 289.335 2.635 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc([C@@H]3C[NH2+]CCO3)c2)cc1 ZINC000600786774 350611270 /nfs/dbraw/zinc/61/12/70/350611270.db2.gz SOQHKADDAPYDBF-INIZCTEOSA-N 1 0 284.315 2.923 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793045 186325547 /nfs/dbraw/zinc/32/55/47/186325547.db2.gz MXCQMGMGOWOGKR-JTQLQIEISA-N 1 0 267.304 2.536 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000601120862 350673880 /nfs/dbraw/zinc/67/38/80/350673880.db2.gz KAUDTGQGLMEQMO-GFCCVEGCSA-N 1 0 295.408 2.969 20 5 CFBDRO CC1(C)CC(Nc2ncc(F)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000601101283 350668625 /nfs/dbraw/zinc/66/86/25/350668625.db2.gz KBOZDMSLJUKPLE-UHFFFAOYSA-N 1 0 296.346 2.850 20 5 CFBDRO CCC[NH+]1CCC(CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109493 350670601 /nfs/dbraw/zinc/67/06/01/350670601.db2.gz QWPNXOUWQOEJSM-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000601229230 350703547 /nfs/dbraw/zinc/70/35/47/350703547.db2.gz JLYGTIMRFMUMJQ-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCC[C@H]1O ZINC000601175491 350689710 /nfs/dbraw/zinc/68/97/10/350689710.db2.gz HRTMRFGIXACTLF-HIINFBLBSA-N 1 0 276.336 2.501 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccccc1[N+](=O)[O-] ZINC000601191837 350693249 /nfs/dbraw/zinc/69/32/49/350693249.db2.gz OOTVSLMEJKHMGI-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601201063 350695629 /nfs/dbraw/zinc/69/56/29/350695629.db2.gz KLXWIEBGALBQMC-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO CC(C)(F)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000601288475 350717888 /nfs/dbraw/zinc/71/78/88/350717888.db2.gz YRKSYHDFWARNGB-MNOVXSKESA-N 1 0 284.335 2.613 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000601289825 350718294 /nfs/dbraw/zinc/71/82/94/350718294.db2.gz UGHZLCWSNUOZME-NWDGAFQWSA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC000601320363 350723720 /nfs/dbraw/zinc/72/37/20/350723720.db2.gz FWIKIWCAMGSNJD-SMDDNHRTSA-N 1 0 286.335 2.977 20 5 CFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCC1 ZINC000111297192 186391761 /nfs/dbraw/zinc/39/17/61/186391761.db2.gz JJZCIZFMXFCRLO-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481241 350901127 /nfs/dbraw/zinc/90/11/27/350901127.db2.gz CGNOBKHWEIEQKF-AAEUAGOBSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602485006 350902051 /nfs/dbraw/zinc/90/20/51/350902051.db2.gz LZUQQIAAPYBTFA-WCQYABFASA-N 1 0 280.372 2.729 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602676091 350973017 /nfs/dbraw/zinc/97/30/17/350973017.db2.gz QTQVRSMADNSIEC-UHFFFAOYSA-N 1 0 293.323 2.641 20 5 CFBDRO COC1CC(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602704914 350988700 /nfs/dbraw/zinc/98/87/00/350988700.db2.gz HWZOCTSQNHPCIF-UHFFFAOYSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000602708871 350991901 /nfs/dbraw/zinc/99/19/01/350991901.db2.gz YWHDASHCHVZDCI-LBPRGKRZSA-N 1 0 252.289 2.571 20 5 CFBDRO C[C@H](COCC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602713213 350994428 /nfs/dbraw/zinc/99/44/28/350994428.db2.gz QUXKIWOPBUBAQG-GFCCVEGCSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000602612096 350945159 /nfs/dbraw/zinc/94/51/59/350945159.db2.gz GJOMCVGHRFPHAX-LLVKDONJSA-N 1 0 291.376 2.987 20 5 CFBDRO CC[C@H]1CCCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602776254 351021672 /nfs/dbraw/zinc/02/16/72/351021672.db2.gz BHCKZPAHHYVTGG-ZDUSSCGKSA-N 1 0 280.372 2.754 20 5 CFBDRO CCC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787822 351025880 /nfs/dbraw/zinc/02/58/80/351025880.db2.gz KIWUWZMQAKWRJH-CYBMUJFWSA-N 1 0 280.372 2.612 20 5 CFBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795709 351028200 /nfs/dbraw/zinc/02/82/00/351028200.db2.gz NEPJGUOAFMFHDY-CYBMUJFWSA-N 1 0 280.372 2.729 20 5 CFBDRO Cn1cc(C[NH2+][C@@H]2CCCCC23CCCC3)c([N+](=O)[O-])n1 ZINC000602838132 351042243 /nfs/dbraw/zinc/04/22/43/351042243.db2.gz REQNHHSDULMKQB-CYBMUJFWSA-N 1 0 292.383 2.921 20 5 CFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000602845203 351042936 /nfs/dbraw/zinc/04/29/36/351042936.db2.gz GHMQWUSOGQVUGQ-VXGBXAGGSA-N 1 0 280.372 2.514 20 5 CFBDRO Cn1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602846935 351044229 /nfs/dbraw/zinc/04/42/29/351044229.db2.gz UEUSICZIYJBJST-CHWSQXEVSA-N 1 0 294.399 2.975 20 5 CFBDRO C/C=C/C[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602915307 351064511 /nfs/dbraw/zinc/06/45/11/351064511.db2.gz AHYCHUUIHPFDCH-XGACYXMMSA-N 1 0 292.383 2.778 20 5 CFBDRO CCC[C@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218964 351120260 /nfs/dbraw/zinc/12/02/60/351120260.db2.gz OQTLHKMQEAUPIE-JQWIXIFHSA-N 1 0 289.339 2.596 20 5 CFBDRO Cc1ncc([C@H](C)NCc2onc(C)c2[N+](=O)[O-])s1 ZINC000602958503 351072636 /nfs/dbraw/zinc/07/26/36/351072636.db2.gz XXDXLPQGILFPCI-LURJTMIESA-N 1 0 282.325 2.507 20 5 CFBDRO C[C@@](CO)([NH2+]CCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965761 351073385 /nfs/dbraw/zinc/07/33/85/351073385.db2.gz NMOQAHOTSFOMMD-INIZCTEOSA-N 1 0 292.379 2.972 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cs1 ZINC000602997856 351088162 /nfs/dbraw/zinc/08/81/62/351088162.db2.gz SCGDVRNSMZTUQT-AVGNSLFASA-N 1 0 296.392 2.782 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC000602999581 351089573 /nfs/dbraw/zinc/08/95/73/351089573.db2.gz LGXKLUWPLHIVIO-CQSZACIVSA-N 1 0 292.383 2.694 20 5 CFBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000603028174 351091839 /nfs/dbraw/zinc/09/18/39/351091839.db2.gz AITAHWQCCXQIPY-HNNXBMFYSA-N 1 0 292.383 2.836 20 5 CFBDRO CN(CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000603422853 351160838 /nfs/dbraw/zinc/16/08/38/351160838.db2.gz JUGHCZRFDCPWON-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000603432589 351163739 /nfs/dbraw/zinc/16/37/39/351163739.db2.gz JFOZQRCVASUJSD-JMSVASOKSA-N 1 0 277.368 2.543 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603437078 351164084 /nfs/dbraw/zinc/16/40/84/351164084.db2.gz HSWFWFDEONIURO-RZFIJFEBSA-N 1 0 290.363 2.915 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000603434966 351164200 /nfs/dbraw/zinc/16/42/00/351164200.db2.gz VNBZRPLKAGLBNP-FOGDFJRCSA-N 1 0 283.397 2.604 20 5 CFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000609560617 351507022 /nfs/dbraw/zinc/50/70/22/351507022.db2.gz XSMBUWWBASKWJD-UHFFFAOYSA-N 1 0 269.370 2.800 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000609560716 351507233 /nfs/dbraw/zinc/50/72/33/351507233.db2.gz ZZQLMOLYBMJUFV-SNVBAGLBSA-N 1 0 269.370 2.799 20 5 CFBDRO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609147417 351488546 /nfs/dbraw/zinc/48/85/46/351488546.db2.gz BSSGHKQXNDQYAC-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000610273135 351546216 /nfs/dbraw/zinc/54/62/16/351546216.db2.gz CVDKIJJRSKHQBU-UHFFFAOYSA-N 1 0 295.408 2.969 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccsc1[N+](=O)[O-] ZINC000610514711 351575501 /nfs/dbraw/zinc/57/55/01/351575501.db2.gz ISECNOYYUNSZLR-SECBINFHSA-N 1 0 257.359 2.799 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610517773 351576550 /nfs/dbraw/zinc/57/65/50/351576550.db2.gz QRMQMSDEMZXPFT-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000610582593 351583919 /nfs/dbraw/zinc/58/39/19/351583919.db2.gz BZJGCSZKOYTSRK-PHIMTYICSA-N 1 0 287.319 2.824 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000610821200 351612639 /nfs/dbraw/zinc/61/26/39/351612639.db2.gz ZQAJHVNWBNBKSY-NSHDSACASA-N 1 0 274.324 2.786 20 5 CFBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811062 351610661 /nfs/dbraw/zinc/61/06/61/351610661.db2.gz HXRDKVVDHFRUQH-JSGCOSHPSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000610804175 351610752 /nfs/dbraw/zinc/61/07/52/351610752.db2.gz LWCUIDTXGRYKSZ-OLZOCXBDSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)C1 ZINC000610368672 351561579 /nfs/dbraw/zinc/56/15/79/351561579.db2.gz AFNHLZQCSLJGLC-OLZOCXBDSA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000611269800 351661393 /nfs/dbraw/zinc/66/13/93/351661393.db2.gz ZFQQKHQUWKDRFJ-SOFGYWHQSA-N 1 0 292.379 2.948 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CCOC3)CC2)c1 ZINC000611178530 351647560 /nfs/dbraw/zinc/64/75/60/351647560.db2.gz XLYVWDFIYAHLNB-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO C[N@H+](CCOC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610859915 351615406 /nfs/dbraw/zinc/61/54/06/351615406.db2.gz VEKPCIWYKBPHAT-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000611411727 351684965 /nfs/dbraw/zinc/68/49/65/351684965.db2.gz WMUBORYFYRCBRU-VHSXEESVSA-N 1 0 267.354 2.695 20 5 CFBDRO CC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611411429 351685097 /nfs/dbraw/zinc/68/50/97/351685097.db2.gz WYBXAJLQFLVUPJ-UHFFFAOYSA-N 1 0 255.343 2.553 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412137 351686035 /nfs/dbraw/zinc/68/60/35/351686035.db2.gz IHDQKZYTSBXGAX-SNVBAGLBSA-N 1 0 269.370 2.623 20 5 CFBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000120800622 186926729 /nfs/dbraw/zinc/92/67/29/186926729.db2.gz ZHCZYQIFVZFYPF-RYUDHWBXSA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000120800780 186927380 /nfs/dbraw/zinc/92/73/80/186927380.db2.gz ZHCZYQIFVZFYPF-VXGBXAGGSA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501456 351698422 /nfs/dbraw/zinc/69/84/22/351698422.db2.gz CCPGITXMDUEHII-FZMZJTMJSA-N 1 0 266.316 2.817 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122263754 187023418 /nfs/dbraw/zinc/02/34/18/187023418.db2.gz IIVUNZMOFDFLRM-KOLCDFICSA-N 1 0 279.315 2.771 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122264583 187023698 /nfs/dbraw/zinc/02/36/98/187023698.db2.gz ZCRZMHGKWNNGSJ-MNOVXSKESA-N 1 0 261.325 2.632 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC(C)C ZINC000612574921 351837411 /nfs/dbraw/zinc/83/74/11/351837411.db2.gz ZJTQVQRXKLYRPE-GFCCVEGCSA-N 1 0 266.341 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCOC[C@H]1C ZINC000612578537 351837684 /nfs/dbraw/zinc/83/76/84/351837684.db2.gz RHDOQRNDOCPAIU-GFCCVEGCSA-N 1 0 264.325 2.514 20 5 CFBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122582665 187039355 /nfs/dbraw/zinc/03/93/55/187039355.db2.gz WFFAQUNKEPVXNI-UHFFFAOYSA-N 1 0 298.774 2.928 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000122957822 187062220 /nfs/dbraw/zinc/06/22/20/187062220.db2.gz QUBXXHDBVOQDLY-GHMZBOCLSA-N 1 0 264.325 2.976 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000123416402 187090489 /nfs/dbraw/zinc/09/04/89/187090489.db2.gz ISACEIFOFMFHRL-TXEJJXNPSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000123628251 187101619 /nfs/dbraw/zinc/10/16/19/187101619.db2.gz KOPFFGZULKNFOD-GXTWGEPZSA-N 1 0 280.368 2.961 20 5 CFBDRO CCOc1cccc(N2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000613048379 351894569 /nfs/dbraw/zinc/89/45/69/351894569.db2.gz ADFGGHISUYQWIL-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C(F)F)C1 ZINC000613617063 351988116 /nfs/dbraw/zinc/98/81/16/351988116.db2.gz JREMAGWUHPQGJS-UHFFFAOYSA-N 1 0 286.278 2.737 20 5 CFBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000616357151 352333995 /nfs/dbraw/zinc/33/39/95/352333995.db2.gz WGABYDMVFRCOIU-SNVBAGLBSA-N 1 0 274.324 2.786 20 5 CFBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271498492 191176716 /nfs/dbraw/zinc/17/67/16/191176716.db2.gz KCYXRVWGWPXRCA-RYUDHWBXSA-N 1 0 284.381 2.950 20 5 CFBDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000271534311 191197906 /nfs/dbraw/zinc/19/79/06/191197906.db2.gz QBXYOACUHPDPHS-KWQFWETISA-N 1 0 292.257 2.559 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000271528404 191194413 /nfs/dbraw/zinc/19/44/13/191194413.db2.gz WEBVLZOLNIAMJW-CHWSQXEVSA-N 1 0 288.351 2.839 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000271576159 191222607 /nfs/dbraw/zinc/22/26/07/191222607.db2.gz CSLREMNVTRQFPO-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000135164943 187802540 /nfs/dbraw/zinc/80/25/40/187802540.db2.gz PJENTBRQYRIGIM-PWSUYJOCSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590481 191229978 /nfs/dbraw/zinc/22/99/78/191229978.db2.gz YGVORSXREIBSED-KWQFWETISA-N 1 0 292.257 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC000618197846 352736612 /nfs/dbraw/zinc/73/66/12/352736612.db2.gz HWVDRVDXEMNHRH-OAHLLOKOSA-N 1 0 298.342 2.948 20 5 CFBDRO CC(C)([NH2+]C[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000292131978 198176509 /nfs/dbraw/zinc/17/65/09/198176509.db2.gz LKEDZKPKOQQCKD-GFCCVEGCSA-N 1 0 278.352 2.989 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000618566849 352811219 /nfs/dbraw/zinc/81/12/19/352811219.db2.gz HVWKJTCKGMZKSA-MRVWCRGKSA-N 1 0 292.383 2.911 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000619427231 353021582 /nfs/dbraw/zinc/02/15/82/353021582.db2.gz JDBFQWBROOPTFO-ZIAGYGMSSA-N 1 0 278.352 2.685 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000619428029 353021685 /nfs/dbraw/zinc/02/16/85/353021685.db2.gz MYSCKTRSISSVDG-DZGCQCFKSA-N 1 0 278.352 2.685 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000152562300 188028771 /nfs/dbraw/zinc/02/87/71/188028771.db2.gz DPIJFRFCXHANEF-DGCLKSJQSA-N 1 0 294.351 2.823 20 5 CFBDRO CSC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153642450 188095414 /nfs/dbraw/zinc/09/54/14/188095414.db2.gz KNRAKGVHPRDJTM-FZMZJTMJSA-N 1 0 298.408 2.668 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000271670664 191268702 /nfs/dbraw/zinc/26/87/02/191268702.db2.gz AVCTVNYYAYYPIF-UHFFFAOYSA-N 1 0 272.370 2.641 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000154611575 188153355 /nfs/dbraw/zinc/15/33/55/188153355.db2.gz BZJIYJNRQLQJKB-SWLSCSKDSA-N 1 0 280.368 2.667 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292706016 198382589 /nfs/dbraw/zinc/38/25/89/198382589.db2.gz CWHJXPFPPUIFCL-HNNXBMFYSA-N 1 0 292.379 2.872 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000364300892 283079032 /nfs/dbraw/zinc/07/90/32/283079032.db2.gz HCDQRWFVSWHULY-QMTHXVAHSA-N 1 0 295.770 2.779 20 5 CFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000271821116 191348982 /nfs/dbraw/zinc/34/89/82/191348982.db2.gz MWZVIXPAZHSMGA-UUSSSYRCSA-N 1 0 276.336 2.623 20 5 CFBDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000271859061 191371593 /nfs/dbraw/zinc/37/15/93/191371593.db2.gz VPGCFUPTMZPSLH-ZDUSSCGKSA-N 1 0 292.379 2.873 20 5 CFBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000272991481 192011807 /nfs/dbraw/zinc/01/18/07/192011807.db2.gz QEFPZOFKVDUYIX-VIFPVBQESA-N 1 0 296.758 2.706 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294515273 199068985 /nfs/dbraw/zinc/06/89/85/199068985.db2.gz YYQMIOSMHCSKQK-GFCCVEGCSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)CCC2 ZINC000296228356 199824501 /nfs/dbraw/zinc/82/45/01/199824501.db2.gz BYGQIDNGMFQFEM-FFSVYQOJSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420277608 236597396 /nfs/dbraw/zinc/59/73/96/236597396.db2.gz INVOGARULGOKDR-NWDGAFQWSA-N 1 0 263.341 2.833 20 5 CFBDRO CCn1ccnc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000297060949 200074238 /nfs/dbraw/zinc/07/42/38/200074238.db2.gz WAHKLPGISKJJIE-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297431603 200188212 /nfs/dbraw/zinc/18/82/12/200188212.db2.gz VIVZEESXGOQNPM-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173323622 299297493 /nfs/dbraw/zinc/29/74/93/299297493.db2.gz NLCKJXINWHXFKK-KGLIPLIRSA-N 1 0 291.395 2.977 20 5 CFBDRO CCC[NH+](CCC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000298330772 200397167 /nfs/dbraw/zinc/39/71/67/200397167.db2.gz YRWPLYHHUJCLCW-UHFFFAOYSA-N 1 0 293.367 2.680 20 5 CFBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177847557 189073747 /nfs/dbraw/zinc/07/37/47/189073747.db2.gz NTVDYKCKHXIBHI-LLVKDONJSA-N 1 0 293.367 2.562 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCCC2)n1 ZINC000178153827 189093516 /nfs/dbraw/zinc/09/35/16/189093516.db2.gz AIILFEQRTGHBJQ-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1COC ZINC000178338718 189107888 /nfs/dbraw/zinc/10/78/88/189107888.db2.gz XPXYNWVQIBTKIL-GFCCVEGCSA-N 1 0 295.383 2.883 20 5 CFBDRO CC(C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000178856993 189150965 /nfs/dbraw/zinc/15/09/65/189150965.db2.gz UYYNBRWTVZCZKU-OAHLLOKOSA-N 1 0 280.368 2.995 20 5 CFBDRO CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1[N+](=O)[O-] ZINC000179397379 189191455 /nfs/dbraw/zinc/19/14/55/189191455.db2.gz RZLRBKIPXDKCKK-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO Cc1ccc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301618166 540907793 /nfs/dbraw/zinc/90/77/93/540907793.db2.gz BGPZDHWMBMQAIW-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000180101668 189237359 /nfs/dbraw/zinc/23/73/59/189237359.db2.gz ZNWYGNPYQZEDSA-UHFFFAOYSA-N 1 0 280.324 2.596 20 5 CFBDRO C[C@H](C[NH3+])N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423327545 238381403 /nfs/dbraw/zinc/38/14/03/238381403.db2.gz NJQMYCGPWNJCEE-WBMJQRKESA-N 1 0 285.347 2.621 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000180449545 189256097 /nfs/dbraw/zinc/25/60/97/189256097.db2.gz NXPOHVBVILDCQF-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO COc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301522698 201045159 /nfs/dbraw/zinc/04/51/59/201045159.db2.gz LZBJWPXGDAXPIM-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000183386364 189357584 /nfs/dbraw/zinc/35/75/84/189357584.db2.gz RRMUFXHKQGCZDM-AWEZNQCLSA-N 1 0 280.368 2.742 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000183717535 189366396 /nfs/dbraw/zinc/36/63/96/189366396.db2.gz GEPYQBKLNAYGGR-QWHCGFSZSA-N 1 0 288.351 2.921 20 5 CFBDRO CCC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184288154 189381901 /nfs/dbraw/zinc/38/19/01/189381901.db2.gz ODHHHHYSVXAYFI-FYYVMTAXSA-N 1 0 298.408 2.793 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2sccc2[N+](=O)[O-])C1 ZINC000301920668 201263623 /nfs/dbraw/zinc/26/36/23/201263623.db2.gz DCRIVIUAHMZMQS-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000425451313 239065769 /nfs/dbraw/zinc/06/57/69/239065769.db2.gz WUVLJTRZHVGCPL-AWEZNQCLSA-N 1 0 278.352 2.845 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1sccc1[N+](=O)[O-] ZINC000301983513 201287416 /nfs/dbraw/zinc/28/74/16/201287416.db2.gz INXFIASPPJODHL-SECBINFHSA-N 1 0 257.359 2.799 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000187674043 189473166 /nfs/dbraw/zinc/47/31/66/189473166.db2.gz SACGKGWKCROSMR-DFBGVHRSSA-N 1 0 292.379 2.665 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188117406 189490454 /nfs/dbraw/zinc/49/04/54/189490454.db2.gz ZRTJNBRYOAEBAL-NWDGAFQWSA-N 1 0 266.341 2.540 20 5 CFBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616330 240331273 /nfs/dbraw/zinc/33/12/73/240331273.db2.gz RZKIAAMLSAYSAB-GFCCVEGCSA-N 1 0 295.358 2.698 20 5 CFBDRO CN(C)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000275672343 193100925 /nfs/dbraw/zinc/10/09/25/193100925.db2.gz XMWXEUMWHUHAKB-VMPITWQZSA-N 1 0 289.379 2.682 20 5 CFBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000443957249 241097701 /nfs/dbraw/zinc/09/77/01/241097701.db2.gz LHGJYGOBJXFFQR-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CCN2CCC[NH+]1CCCCC1 ZINC000444611880 241155335 /nfs/dbraw/zinc/15/53/35/241155335.db2.gz SDPMAHUREHRMLH-UHFFFAOYSA-N 1 0 289.379 2.833 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCOC1)CCC2 ZINC000447600382 241392730 /nfs/dbraw/zinc/39/27/30/241392730.db2.gz MFJYTPWZBMKBFG-LRDDRELGSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCCC1 ZINC000449253234 241795892 /nfs/dbraw/zinc/79/58/92/241795892.db2.gz XRJBKYCDFBSDDF-ZDUSSCGKSA-N 1 0 292.379 2.668 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(C)(C)C ZINC000449212508 241769849 /nfs/dbraw/zinc/76/98/49/241769849.db2.gz SYUAEWNKCJTZFC-TZMCWYRMSA-N 1 0 294.395 2.913 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334265 241855580 /nfs/dbraw/zinc/85/55/80/241855580.db2.gz DPVBOSNVOHLZFM-LBPRGKRZSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000449408533 241910450 /nfs/dbraw/zinc/91/04/50/241910450.db2.gz OJMZWTPPANZQLW-LBPRGKRZSA-N 1 0 280.368 2.524 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000449509757 241989889 /nfs/dbraw/zinc/98/98/89/241989889.db2.gz PBZMEQDAWXKKOV-JKSUJKDBSA-N 1 0 294.395 2.974 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000449580712 242045574 /nfs/dbraw/zinc/04/55/74/242045574.db2.gz SXGAMSUTQLMKRU-ZDUSSCGKSA-N 1 0 292.379 2.668 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000449550313 242020313 /nfs/dbraw/zinc/02/03/13/242020313.db2.gz CONCDCDAVOYTAQ-IJEWVQPXSA-N 1 0 290.363 2.578 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449549747 242021351 /nfs/dbraw/zinc/02/13/51/242021351.db2.gz AFPKPKGCHQDKAY-VNHYZAJKSA-N 1 0 290.363 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 ZINC000449549842 242021668 /nfs/dbraw/zinc/02/16/68/242021668.db2.gz AWHPMKPPOQEPAX-IJEWVQPXSA-N 1 0 290.363 2.578 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000449678394 242105314 /nfs/dbraw/zinc/10/53/14/242105314.db2.gz PKSOTPSTKUUVOA-GFCCVEGCSA-N 1 0 288.351 2.970 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449708817 242116513 /nfs/dbraw/zinc/11/65/13/242116513.db2.gz HMDVSTSUDRKYBZ-NWANDNLSSA-N 1 0 292.379 2.667 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449738685 242126537 /nfs/dbraw/zinc/12/65/37/242126537.db2.gz DSVYTIKYGISSTO-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449756408 242139316 /nfs/dbraw/zinc/13/93/16/242139316.db2.gz BATKRUHIYIVWNF-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449761318 242143682 /nfs/dbraw/zinc/14/36/82/242143682.db2.gz WKTVJOOVIOSAKS-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1ccc(CNCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449779689 242156965 /nfs/dbraw/zinc/15/69/65/242156965.db2.gz DOTOJDBZKCYSDF-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000450245094 242322289 /nfs/dbraw/zinc/32/22/89/242322289.db2.gz WWDKQBBAPBGVAI-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000451823570 242964834 /nfs/dbraw/zinc/96/48/34/242964834.db2.gz NRSQBCZGHUSMGY-CYBMUJFWSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452124460 243055635 /nfs/dbraw/zinc/05/56/35/243055635.db2.gz JAXMEKYUINVXCW-QWHCGFSZSA-N 1 0 278.352 2.750 20 5 CFBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000453406957 243563230 /nfs/dbraw/zinc/56/32/30/243563230.db2.gz RPFWGNGRHAJSBM-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000330592188 203011647 /nfs/dbraw/zinc/01/16/47/203011647.db2.gz ZVIYKAJGSWXQGL-LDYMZIIASA-N 1 0 297.742 2.851 20 5 CFBDRO C[C@@H]1C[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614985 203039650 /nfs/dbraw/zinc/03/96/50/203039650.db2.gz UATVQIIBKWCKKB-ZIAGYGMSSA-N 1 0 292.379 2.884 20 5 CFBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000330649179 203076469 /nfs/dbraw/zinc/07/64/69/203076469.db2.gz KTMHPLYHUHFJKB-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000456206967 244102452 /nfs/dbraw/zinc/10/24/52/244102452.db2.gz ROZCURGAGFVBJS-UHFFFAOYSA-N 1 0 299.396 2.507 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296781899 299399802 /nfs/dbraw/zinc/39/98/02/299399802.db2.gz QFXPAWONPGXSDL-FBKDDSFISA-N 1 0 264.325 2.811 20 5 CFBDRO CCOC(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OCC ZINC000276270926 193265164 /nfs/dbraw/zinc/26/51/64/193265164.db2.gz VTYABCGDZOTAIZ-UHFFFAOYSA-N 1 0 296.367 2.782 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920652 203390279 /nfs/dbraw/zinc/39/02/79/203390279.db2.gz ZUJSQCKYIRPBSA-JSGCOSHPSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCCO ZINC000276355542 193296853 /nfs/dbraw/zinc/29/68/53/193296853.db2.gz JFFCZYWQCXHVBC-GFCCVEGCSA-N 1 0 266.341 2.669 20 5 CFBDRO C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])[NH+](C)C ZINC000276403175 193317233 /nfs/dbraw/zinc/31/72/33/193317233.db2.gz AETHQAYLSUIPHT-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000459670898 245267134 /nfs/dbraw/zinc/26/71/34/245267134.db2.gz FRVRLJAOAZHOQH-HNNXBMFYSA-N 1 0 278.352 2.986 20 5 CFBDRO Cc1ncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000459678586 245269894 /nfs/dbraw/zinc/26/98/94/245269894.db2.gz RKNDUTJWHYCELP-SNVBAGLBSA-N 1 0 275.308 2.612 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795522 245329586 /nfs/dbraw/zinc/32/95/86/245329586.db2.gz XVRDMHVHBWFNAI-DDTOSNHZSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459749277 245303471 /nfs/dbraw/zinc/30/34/71/245303471.db2.gz KJSFVYWQCIZBRH-HWPRWLFBSA-N 1 0 286.335 2.692 20 5 CFBDRO CCC[C@H]([NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000020085630 372227291 /nfs/dbraw/zinc/22/72/91/372227291.db2.gz WSJSCLJULKHSQV-ZDUSSCGKSA-N 1 0 252.314 2.672 20 5 CFBDRO C[NH+](C)C1(CNCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000020094657 372230583 /nfs/dbraw/zinc/23/05/83/372230583.db2.gz HZYNJWZVHSWMLZ-UHFFFAOYSA-N 1 0 291.395 2.949 20 5 CFBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000025509854 372300610 /nfs/dbraw/zinc/30/06/10/372300610.db2.gz GMDIQJGFIHVRNI-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCCC1 ZINC000034936535 372517649 /nfs/dbraw/zinc/51/76/49/372517649.db2.gz BIAQQJHXQSSLCL-UHFFFAOYSA-N 1 0 250.298 2.636 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000034995145 372527206 /nfs/dbraw/zinc/52/72/06/372527206.db2.gz LVQUEPJHCCNRLG-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CCOCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036228350 372568477 /nfs/dbraw/zinc/56/84/77/372568477.db2.gz RFELHDHFQAWDIO-NSHDSACASA-N 1 0 252.314 2.590 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C2CCOCC2)cc1[N+](=O)[O-] ZINC000036308511 372571750 /nfs/dbraw/zinc/57/17/50/372571750.db2.gz DPCGNUCWNVQLKA-NSHDSACASA-N 1 0 264.325 2.733 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000036996301 372625757 /nfs/dbraw/zinc/62/57/57/372625757.db2.gz RLGYINIOSYPFMM-APHBMKBZSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037154550 372657271 /nfs/dbraw/zinc/65/72/71/372657271.db2.gz GJWAJRROLRKQAP-NEPJUHHUSA-N 1 0 274.324 2.531 20 5 CFBDRO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000037797627 372711391 /nfs/dbraw/zinc/71/13/91/372711391.db2.gz STBHFEJEMKZIGL-UHFFFAOYSA-N 1 0 263.322 2.650 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000037985911 372750405 /nfs/dbraw/zinc/75/04/05/372750405.db2.gz FNUGQLPFAISTTN-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000038011202 372763319 /nfs/dbraw/zinc/76/33/19/372763319.db2.gz NHMKLASNCUXTSN-CQSZACIVSA-N 1 0 274.324 2.867 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000041152830 372822570 /nfs/dbraw/zinc/82/25/70/372822570.db2.gz FZSXNPKBACSSMG-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000042814763 372958131 /nfs/dbraw/zinc/95/81/31/372958131.db2.gz CQDUGRZTTBPIBI-NWDGAFQWSA-N 1 0 264.325 2.815 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000043411884 372989770 /nfs/dbraw/zinc/98/97/70/372989770.db2.gz DLHZXCYDVUGAPA-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000045655864 373025008 /nfs/dbraw/zinc/02/50/08/373025008.db2.gz FXQGDEQZBCKSRB-MNOVXSKESA-N 1 0 252.314 2.528 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000045655866 373025346 /nfs/dbraw/zinc/02/53/46/373025346.db2.gz FXQGDEQZBCKSRB-WDEREUQCSA-N 1 0 252.314 2.528 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000048261670 373157116 /nfs/dbraw/zinc/15/71/16/373157116.db2.gz HNGKLGGFQLFFAU-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000048336932 373165684 /nfs/dbraw/zinc/16/56/84/373165684.db2.gz ZIWATRNRFCKESX-DZGCQCFKSA-N 1 0 275.352 2.942 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](C2CC2)CC1 ZINC000048962333 373239505 /nfs/dbraw/zinc/23/95/05/373239505.db2.gz AVNROGLHOKLRJB-UHFFFAOYSA-N 1 0 279.315 2.773 20 5 CFBDRO CC(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049442731 373297140 /nfs/dbraw/zinc/29/71/40/373297140.db2.gz SYSVVDKOHGWHKY-LLVKDONJSA-N 1 0 279.340 2.510 20 5 CFBDRO Cc1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000049558734 373311059 /nfs/dbraw/zinc/31/10/59/373311059.db2.gz AXELODMEXMAHRO-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccnc2)c(Cl)c1 ZINC000049963451 373337659 /nfs/dbraw/zinc/33/76/59/373337659.db2.gz PPZQTKOSVVCEOX-UHFFFAOYSA-N 1 0 291.738 2.976 20 5 CFBDRO [NH3+]C[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444832 373378433 /nfs/dbraw/zinc/37/84/33/373378433.db2.gz UMXWVKKNILRHEQ-GFCCVEGCSA-N 1 0 283.759 2.561 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051995479 373425811 /nfs/dbraw/zinc/42/58/11/373425811.db2.gz FOUQEIRDXNIRDK-KKUMJFAQSA-N 1 0 278.352 2.939 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000051227623 373388616 /nfs/dbraw/zinc/38/86/16/373388616.db2.gz VGXFGAAFNBSTGV-NSHDSACASA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000052097851 373434778 /nfs/dbraw/zinc/43/47/78/373434778.db2.gz KSJFNXOKWDYWCW-MRXNPFEDSA-N 1 0 286.331 2.592 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000052097852 373435240 /nfs/dbraw/zinc/43/52/40/373435240.db2.gz KSJFNXOKWDYWCW-INIZCTEOSA-N 1 0 286.331 2.592 20 5 CFBDRO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000057395252 373592140 /nfs/dbraw/zinc/59/21/40/373592140.db2.gz NJDIOADUUJXACC-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000289549849 197399689 /nfs/dbraw/zinc/39/96/89/197399689.db2.gz QZKFMKUVHXXWIM-ZDUSSCGKSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351189 373758754 /nfs/dbraw/zinc/75/87/54/373758754.db2.gz KDDQYNLOPMCNJR-ZOWXZIJZSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000062999797 373778359 /nfs/dbraw/zinc/77/83/59/373778359.db2.gz HZAIHDPPNZLUKH-LRDDRELGSA-N 1 0 286.331 2.979 20 5 CFBDRO CC[NH+]1CCC(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000063248103 373800222 /nfs/dbraw/zinc/80/02/22/373800222.db2.gz OKUARAZNXSPTPG-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489496471 245960775 /nfs/dbraw/zinc/96/07/75/245960775.db2.gz FDKFTYIHSBDRTR-ZDUSSCGKSA-N 1 0 264.325 2.834 20 5 CFBDRO Cc1ccnc(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000070495797 374187456 /nfs/dbraw/zinc/18/74/56/374187456.db2.gz RXEJUTQZIZTYDO-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072874962 374298062 /nfs/dbraw/zinc/29/80/62/374298062.db2.gz RKIFOORPZXFPHG-JQWIXIFHSA-N 1 0 291.351 2.715 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072977298 374310733 /nfs/dbraw/zinc/31/07/33/374310733.db2.gz CERINEWQGYHQRC-ZDUSSCGKSA-N 1 0 278.352 2.843 20 5 CFBDRO Cc1cc(NCC2([NH+](C)C)CCCC2)ncc1[N+](=O)[O-] ZINC000074740134 374436252 /nfs/dbraw/zinc/43/62/52/374436252.db2.gz OBJDQQKBAGQYAT-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000081545192 374705888 /nfs/dbraw/zinc/70/58/88/374705888.db2.gz BROOXHMDMGDXDK-LLVKDONJSA-N 1 0 280.324 2.589 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081584762 374708155 /nfs/dbraw/zinc/70/81/55/374708155.db2.gz XLJLGMGOLZWGEQ-CQSZACIVSA-N 1 0 291.395 2.759 20 5 CFBDRO CC[N@@H+]1CC[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439861 374776239 /nfs/dbraw/zinc/77/62/39/374776239.db2.gz MMTUHJNDLWBASO-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000089981240 374979992 /nfs/dbraw/zinc/97/99/92/374979992.db2.gz QTFJUFZTSUKVJD-UHFFFAOYSA-N 1 0 252.339 2.534 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000090514107 375018095 /nfs/dbraw/zinc/01/80/95/375018095.db2.gz PWXJNRUSYJTCIK-XAAFQQQXSA-N 1 0 298.408 2.711 20 5 CFBDRO CC[C@H](CCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000094948305 375395486 /nfs/dbraw/zinc/39/54/86/375395486.db2.gz KRZFQDOYFYCCOD-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774864 375379492 /nfs/dbraw/zinc/37/94/92/375379492.db2.gz CSQKWVADISAKDD-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268577 375482887 /nfs/dbraw/zinc/48/28/87/375482887.db2.gz DRINAABIZGHVIV-MRXNPFEDSA-N 1 0 289.379 2.513 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000501784511 247106232 /nfs/dbraw/zinc/10/62/32/247106232.db2.gz HFDABCXPKIVMOF-CHWSQXEVSA-N 1 0 278.352 2.952 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829851 375810915 /nfs/dbraw/zinc/81/09/15/375810915.db2.gz FLWWBQAAIPFXNP-VXGBXAGGSA-N 1 0 279.315 2.773 20 5 CFBDRO C[C@H]1SCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415059 376295945 /nfs/dbraw/zinc/29/59/45/376295945.db2.gz JXKZVLRJUIPPHT-NWDGAFQWSA-N 1 0 280.393 2.963 20 5 CFBDRO CC[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119821421 376479450 /nfs/dbraw/zinc/47/94/50/376479450.db2.gz FIXSLCIBPDKUNQ-WDEREUQCSA-N 1 0 279.340 2.700 20 5 CFBDRO CC[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119820959 376479993 /nfs/dbraw/zinc/47/99/93/376479993.db2.gz FIXSLCIBPDKUNQ-MNOVXSKESA-N 1 0 279.340 2.700 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC(F)(F)C1 ZINC000571655765 383715203 /nfs/dbraw/zinc/71/52/03/383715203.db2.gz RGDSFHWLCBCOHC-NSHDSACASA-N 1 0 268.263 2.969 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000129624975 377452971 /nfs/dbraw/zinc/45/29/71/377452971.db2.gz KXPXDURCCWXKFL-MBNYWOFBSA-N 1 0 289.379 2.871 20 5 CFBDRO COCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130907781 377628625 /nfs/dbraw/zinc/62/86/25/377628625.db2.gz TYXIZDUMBRTMAK-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000131168465 377670676 /nfs/dbraw/zinc/67/06/76/377670676.db2.gz ZWXOIEHBAMWAGJ-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000131289608 377688830 /nfs/dbraw/zinc/68/88/30/377688830.db2.gz OJBAYNPKEVPNLW-RISCZKNCSA-N 1 0 266.341 2.571 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131921873 377778006 /nfs/dbraw/zinc/77/80/06/377778006.db2.gz NDUBLXFMVIKVLQ-MWLCHTKSSA-N 1 0 252.314 2.589 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000132003448 377789992 /nfs/dbraw/zinc/78/99/92/377789992.db2.gz SGHPGYYIARHGSK-NWDGAFQWSA-N 1 0 266.341 2.540 20 5 CFBDRO CCOc1cccc(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000134917272 378064384 /nfs/dbraw/zinc/06/43/84/378064384.db2.gz ITVGSEHNGIWPAN-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000135174273 378095743 /nfs/dbraw/zinc/09/57/43/378095743.db2.gz XJKOUVFUFWDKJH-CMPLNLGQSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000136294947 378194933 /nfs/dbraw/zinc/19/49/33/378194933.db2.gz RRUHQWBDJABKRP-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO COCC(C)(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000136471656 378200157 /nfs/dbraw/zinc/20/01/57/378200157.db2.gz CHESTTRAXJXTRD-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C)C ZINC000150886967 378278499 /nfs/dbraw/zinc/27/84/99/378278499.db2.gz AXNYYMNKIKAOEF-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO Cc1c([C@@H](C)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000151931637 378374343 /nfs/dbraw/zinc/37/43/43/378374343.db2.gz HLUXYVQGNIAWEB-GFCCVEGCSA-N 1 0 265.357 2.506 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330502036 378571853 /nfs/dbraw/zinc/57/18/53/378571853.db2.gz BEQXYSYANHVSLV-LBPRGKRZSA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)C1 ZINC000330580890 378588550 /nfs/dbraw/zinc/58/85/50/378588550.db2.gz UEABIPSASAZYOH-FZMZJTMJSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC1CCCC1)CC2 ZINC000332112529 378727099 /nfs/dbraw/zinc/72/70/99/378727099.db2.gz FMHWAPLAORXZQD-UHFFFAOYSA-N 1 0 275.352 2.928 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000332638456 378782464 /nfs/dbraw/zinc/78/24/64/378782464.db2.gz AJUIKUFWIHLHBM-LLVKDONJSA-N 1 0 280.372 2.729 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737164 378797104 /nfs/dbraw/zinc/79/71/04/378797104.db2.gz ZGCLNZRUTOJIHN-HOTGVXAUSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1nc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000161518076 378852388 /nfs/dbraw/zinc/85/23/88/378852388.db2.gz DARNFCDHBMEGBQ-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO CC[C@@H](CSC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000162180752 378899008 /nfs/dbraw/zinc/89/90/08/378899008.db2.gz RFQKWINWWHIKIP-VIFPVBQESA-N 1 0 260.384 2.888 20 5 CFBDRO COCCOCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163428883 378971625 /nfs/dbraw/zinc/97/16/25/378971625.db2.gz JNERRYGQLNWBLX-CYBMUJFWSA-N 1 0 296.367 2.607 20 5 CFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278584690 194056610 /nfs/dbraw/zinc/05/66/10/194056610.db2.gz DLVMZLXDCJODOT-MWLCHTKSSA-N 1 0 274.324 2.749 20 5 CFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000278640887 194081800 /nfs/dbraw/zinc/08/18/00/194081800.db2.gz JAOGMBBPAHYUEE-LLVKDONJSA-N 1 0 276.340 2.995 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000278749412 194137853 /nfs/dbraw/zinc/13/78/53/194137853.db2.gz KCMUORIPIXTMAD-PWSUYJOCSA-N 1 0 266.341 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000451904114 383735793 /nfs/dbraw/zinc/73/57/93/383735793.db2.gz QONSQFZWKPIRLQ-INIZCTEOSA-N 1 0 290.363 2.640 20 5 CFBDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173410220 379737254 /nfs/dbraw/zinc/73/72/54/379737254.db2.gz RMIAAHLDSJYDAB-UHIISALHSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000173554389 379753213 /nfs/dbraw/zinc/75/32/13/379753213.db2.gz ISXJXRPPNOVRLD-UHFFFAOYSA-N 1 0 282.340 2.713 20 5 CFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCCC1 ZINC000173186956 379708006 /nfs/dbraw/zinc/70/80/06/379708006.db2.gz ANQBGTDBBPBRGY-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174605833 379917476 /nfs/dbraw/zinc/91/74/76/379917476.db2.gz WSKYQDQDIHMJHE-JTQLQIEISA-N 1 0 292.360 2.794 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000174552965 379907267 /nfs/dbraw/zinc/90/72/67/379907267.db2.gz TXSJFCUPWCLCBC-NSHDSACASA-N 1 0 296.367 2.897 20 5 CFBDRO C[C@H](c1cccs1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174822079 379946217 /nfs/dbraw/zinc/94/62/17/379946217.db2.gz IMCIFCSUNOUHBR-SNVBAGLBSA-N 1 0 280.353 2.546 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000176225815 380197491 /nfs/dbraw/zinc/19/74/91/380197491.db2.gz CYEAGWIZKFIPDY-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000177331173 380330865 /nfs/dbraw/zinc/33/08/65/380330865.db2.gz ZTHBJQXKATYSAE-ZBFHGGJFSA-N 1 0 289.379 2.653 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000177986568 380399933 /nfs/dbraw/zinc/39/99/33/380399933.db2.gz JQKJOKMGTXOKLY-IAQYHMDHSA-N 1 0 294.326 2.735 20 5 CFBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336785658 380630516 /nfs/dbraw/zinc/63/05/16/380630516.db2.gz AGAQYMPEKHNPGQ-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000336796555 380644648 /nfs/dbraw/zinc/64/46/48/380644648.db2.gz UDIBVJZWYZTYFA-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000336806267 380663956 /nfs/dbraw/zinc/66/39/56/380663956.db2.gz PDCAKQSROYSNDL-MISXGVKJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000336806266 380664185 /nfs/dbraw/zinc/66/41/85/380664185.db2.gz PDCAKQSROYSNDL-COPLHBTASA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1NCC[NH+]1CCCCC1 ZINC000336810740 380670280 /nfs/dbraw/zinc/67/02/80/380670280.db2.gz JCQMMWXYPWTJGP-UHFFFAOYSA-N 1 0 267.304 2.632 20 5 CFBDRO Cc1[nH+]ccc(NCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000336813608 380675313 /nfs/dbraw/zinc/67/53/13/380675313.db2.gz CUKDFPYGQYJDQB-UHFFFAOYSA-N 1 0 277.711 2.986 20 5 CFBDRO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180442857 380660902 /nfs/dbraw/zinc/66/09/02/380660902.db2.gz GUSCSQSRLMQZRR-NSHDSACASA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@H]1CCC[C@@H](CO)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181388047 380785391 /nfs/dbraw/zinc/78/53/91/380785391.db2.gz JTZYVMLCZGPWPZ-GWCFXTLKSA-N 1 0 298.770 2.984 20 5 CFBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000353812511 380870565 /nfs/dbraw/zinc/87/05/65/380870565.db2.gz GXEZZPGCWCYBJD-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000279257528 194355654 /nfs/dbraw/zinc/35/56/54/194355654.db2.gz HSJTVDXBCVYSTE-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@@H]2CCOC2)c(F)c1 ZINC000402295591 380882871 /nfs/dbraw/zinc/88/28/71/380882871.db2.gz OBUXNGVCNPNBQH-LLVKDONJSA-N 1 0 282.315 2.640 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353851443 380899464 /nfs/dbraw/zinc/89/94/64/380899464.db2.gz QMEXSKNQBWGSJH-RISCZKNCSA-N 1 0 278.352 2.572 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000181833055 380909303 /nfs/dbraw/zinc/90/93/03/380909303.db2.gz PSJHYNNRLYFJSH-GFCCVEGCSA-N 1 0 294.351 2.896 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000181837921 380910441 /nfs/dbraw/zinc/91/04/41/380910441.db2.gz SORNKVCVJIZYCY-VXGBXAGGSA-N 1 0 292.335 2.507 20 5 CFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353942599 380974391 /nfs/dbraw/zinc/97/43/91/380974391.db2.gz GMNADYNINCVDBW-KGLIPLIRSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341332993 380941846 /nfs/dbraw/zinc/94/18/46/380941846.db2.gz YDXPNDSWOAQCIV-XUJVJEKNSA-N 1 0 292.379 2.665 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347234976 381020874 /nfs/dbraw/zinc/02/08/74/381020874.db2.gz ZYYRYDAIHSELJS-MFOKFAIFSA-N 1 0 289.379 2.667 20 5 CFBDRO CN(C(=O)c1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000341419406 381006052 /nfs/dbraw/zinc/00/60/52/381006052.db2.gz IKYOHFWJKVTTCU-UHFFFAOYSA-N 1 0 296.286 2.519 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)CC2CCCC2)cs1 ZINC000341501801 381054038 /nfs/dbraw/zinc/05/40/38/381054038.db2.gz QCLCLCLXLKDYTM-LBPRGKRZSA-N 1 0 298.408 2.935 20 5 CFBDRO CSC1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000289609865 381065548 /nfs/dbraw/zinc/06/55/48/381065548.db2.gz VRCQBKPVMVIUTO-UHFFFAOYSA-N 1 0 280.393 2.965 20 5 CFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000411952573 381068208 /nfs/dbraw/zinc/06/82/08/381068208.db2.gz REIBVZYUMXZTOQ-NOZJJQNGSA-N 1 0 284.381 2.950 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000182623810 381121713 /nfs/dbraw/zinc/12/17/13/381121713.db2.gz CZSBPMYJWDHFDJ-AWEZNQCLSA-N 1 0 291.395 2.990 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000368625373 381087912 /nfs/dbraw/zinc/08/79/12/381087912.db2.gz PJKHYGSCJVYUJM-HUUCEWRRSA-N 1 0 276.336 2.560 20 5 CFBDRO CC[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347352701 381092038 /nfs/dbraw/zinc/09/20/38/381092038.db2.gz GIOXDAOCUBYIQH-SDNWHVSQSA-N 1 0 289.379 2.636 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000347356072 381094134 /nfs/dbraw/zinc/09/41/34/381094134.db2.gz KQEYYDYCBQALNJ-WQMJKPAKSA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182780742 381155551 /nfs/dbraw/zinc/15/55/51/381155551.db2.gz NEIAARPMGZRMAO-DPORPMIOSA-N 1 0 290.363 2.952 20 5 CFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295968164 381188139 /nfs/dbraw/zinc/18/81/39/381188139.db2.gz IHZWJZGPLOEYGY-ZDUSSCGKSA-N 1 0 289.379 2.511 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000359084496 381255792 /nfs/dbraw/zinc/25/57/92/381255792.db2.gz RBUKELKIBGVHPR-GWCFXTLKSA-N 1 0 290.367 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000183385772 381264292 /nfs/dbraw/zinc/26/42/92/381264292.db2.gz MLPZUFNDYPQUMC-HNNXBMFYSA-N 1 0 276.336 2.516 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000289951331 381230332 /nfs/dbraw/zinc/23/03/32/381230332.db2.gz BXRXVKIOMAXFRG-AWEZNQCLSA-N 1 0 294.351 2.890 20 5 CFBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354395335 381241376 /nfs/dbraw/zinc/24/13/76/381241376.db2.gz DLXQNLDTCHITNW-QWHCGFSZSA-N 1 0 280.372 2.596 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347681174 381294711 /nfs/dbraw/zinc/29/47/11/381294711.db2.gz BCKYXJBFGIARQA-BETUJISGSA-N 1 0 277.368 2.509 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000290098356 381298210 /nfs/dbraw/zinc/29/82/10/381298210.db2.gz HMWGYDACALBEQM-INIZCTEOSA-N 1 0 292.379 2.888 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000359122870 381278947 /nfs/dbraw/zinc/27/89/47/381278947.db2.gz HRTMRFGIXACTLF-DOMBMUJNSA-N 1 0 276.336 2.501 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000359125799 381280818 /nfs/dbraw/zinc/28/08/18/381280818.db2.gz MBVKRWIWJAFJDU-QMMMGPOBSA-N 1 0 262.231 2.883 20 5 CFBDRO CO[C@H](C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354458199 381282904 /nfs/dbraw/zinc/28/29/04/381282904.db2.gz PCIDPNYXFMYVLU-CYBMUJFWSA-N 1 0 296.367 2.719 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000290199097 381339412 /nfs/dbraw/zinc/33/94/12/381339412.db2.gz OYZKZRWHKAENDP-GWCFXTLKSA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N)cc1[N+](=O)[O-] ZINC000290128757 381313137 /nfs/dbraw/zinc/31/31/37/381313137.db2.gz UWPGZZLKCSVVHH-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000290140654 381316898 /nfs/dbraw/zinc/31/68/98/381316898.db2.gz KPKHUQZSWHXROI-DZGCQCFKSA-N 1 0 278.352 2.987 20 5 CFBDRO CC(C)C[C@@H](CO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290375442 381404235 /nfs/dbraw/zinc/40/42/35/381404235.db2.gz HSPXXKHLVPRAHM-VFADXPBXSA-N 1 0 292.379 2.947 20 5 CFBDRO CC[NH+](CC)CCOCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000347880830 381397134 /nfs/dbraw/zinc/39/71/34/381397134.db2.gz RFLLYHBEHDBXKE-UHFFFAOYSA-N 1 0 295.383 2.674 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000342600637 381425888 /nfs/dbraw/zinc/42/58/88/381425888.db2.gz UYLJXWSLENHPHW-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H]([NH2+]CCOC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296538291 381439194 /nfs/dbraw/zinc/43/91/94/381439194.db2.gz DWZYQVNJXJWERQ-NSHDSACASA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663383 381483832 /nfs/dbraw/zinc/48/38/32/381483832.db2.gz UNCOYSRZYDWVBX-ZWNOBZJWSA-N 1 0 286.335 2.526 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663382 381484515 /nfs/dbraw/zinc/48/45/15/381484515.db2.gz UNCOYSRZYDWVBX-MFKMUULPSA-N 1 0 286.335 2.526 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296640878 381485569 /nfs/dbraw/zinc/48/55/69/381485569.db2.gz XZZHBIDNBCNUTO-VXGBXAGGSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000296725317 381521221 /nfs/dbraw/zinc/52/12/21/381521221.db2.gz NMNUMZJLSZXUIN-ZHPDPMBESA-N 1 0 264.325 2.811 20 5 CFBDRO Cc1nc(NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000348344004 381519574 /nfs/dbraw/zinc/51/95/74/381519574.db2.gz PGOSXPPMZNHYQK-UHFFFAOYSA-N 1 0 294.399 2.641 20 5 CFBDRO C[C@H](CN(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348310699 381497543 /nfs/dbraw/zinc/49/75/43/381497543.db2.gz STVDBQWMEKDACU-ABAIWWIYSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290811624 381560045 /nfs/dbraw/zinc/56/00/45/381560045.db2.gz REHYAPKFXFLKQA-NXEZZACHSA-N 1 0 279.315 2.771 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000371429286 381625990 /nfs/dbraw/zinc/62/59/90/381625990.db2.gz BWLPNTRAXXSVIQ-AWEZNQCLSA-N 1 0 286.335 2.698 20 5 CFBDRO CC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000291032632 381640076 /nfs/dbraw/zinc/64/00/76/381640076.db2.gz XJCOJVBBVGBKDH-UHFFFAOYSA-N 1 0 281.331 2.939 20 5 CFBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414981457 381675086 /nfs/dbraw/zinc/67/50/86/381675086.db2.gz XOMDVVJBHQPPJI-ZDUSSCGKSA-N 1 0 297.786 2.726 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000298580295 381679358 /nfs/dbraw/zinc/67/93/58/381679358.db2.gz XQPVFAHYVHFMKJ-BNOWGMLFSA-N 1 0 296.392 2.593 20 5 CFBDRO COc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000343488934 381746997 /nfs/dbraw/zinc/74/69/97/381746997.db2.gz ZIMOUTHSKUKERV-GXSJLCMTSA-N 1 0 297.330 2.637 20 5 CFBDRO Cc1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415066345 381751717 /nfs/dbraw/zinc/75/17/17/381751717.db2.gz OKMPIUYZCITXSG-AWEZNQCLSA-N 1 0 277.368 2.510 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000372271374 381783452 /nfs/dbraw/zinc/78/34/52/381783452.db2.gz BGHDEKIACDRBHC-LLVKDONJSA-N 1 0 292.364 2.690 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)c1 ZINC000372283806 381784363 /nfs/dbraw/zinc/78/43/63/381784363.db2.gz UZKSEPYPCJYPKZ-STQMWFEESA-N 1 0 276.340 2.537 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)c1 ZINC000372283805 381784409 /nfs/dbraw/zinc/78/44/09/381784409.db2.gz UZKSEPYPCJYPKZ-QWHCGFSZSA-N 1 0 276.340 2.537 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292208799 381794591 /nfs/dbraw/zinc/79/45/91/381794591.db2.gz TVCQBWKKKIQGTP-BBRMVZONSA-N 1 0 289.379 2.683 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291692263 381769937 /nfs/dbraw/zinc/76/99/37/381769937.db2.gz HNOWDZLDWDXJPC-STQMWFEESA-N 1 0 286.335 2.799 20 5 CFBDRO CC(C)C1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000186198295 381851692 /nfs/dbraw/zinc/85/16/92/381851692.db2.gz DTZYMVJEOKBVRG-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000349367182 381910420 /nfs/dbraw/zinc/91/04/20/381910420.db2.gz LBLPUIGQJANBME-KXWHGCDGSA-N 1 0 290.363 2.701 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186506365 381930437 /nfs/dbraw/zinc/93/04/37/381930437.db2.gz BPILWDSMYKPHAG-WWKJKZQJSA-N 1 0 278.352 2.881 20 5 CFBDRO CC(C)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000292964272 381925513 /nfs/dbraw/zinc/92/55/13/381925513.db2.gz JULHAYXEXWFQSW-UHFFFAOYSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373279302 381968086 /nfs/dbraw/zinc/96/80/86/381968086.db2.gz SJBUFZXARQHQLO-IAQYHMDHSA-N 1 0 276.336 2.503 20 5 CFBDRO CCC(=O)c1ccc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343785040 381940298 /nfs/dbraw/zinc/94/02/98/381940298.db2.gz FTTIESWGHFRWBA-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000343849152 381981416 /nfs/dbraw/zinc/98/14/16/381981416.db2.gz HEJUCHXYBJBJLL-UWVGGRQHSA-N 1 0 297.330 2.637 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293106694 381992859 /nfs/dbraw/zinc/99/28/59/381992859.db2.gz LLXZVYSDVAWBEH-FZMZJTMJSA-N 1 0 264.325 2.503 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000374874110 382060181 /nfs/dbraw/zinc/06/01/81/382060181.db2.gz JSFBFKGPNOIPSR-AAEUAGOBSA-N 1 0 278.352 2.933 20 5 CFBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC1([NH+](C)C)CCC1 ZINC000186963607 382060416 /nfs/dbraw/zinc/06/04/16/382060416.db2.gz UXSBBHLCJNTSSZ-UHFFFAOYSA-N 1 0 291.395 2.553 20 5 CFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299666060 382021298 /nfs/dbraw/zinc/02/12/98/382021298.db2.gz OEWKBYKNPDXBAT-UHFFFAOYSA-N 1 0 299.396 2.508 20 5 CFBDRO COCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297223 382033683 /nfs/dbraw/zinc/03/36/83/382033683.db2.gz IHGYYAMKPUROJS-CQSZACIVSA-N 1 0 264.325 2.598 20 5 CFBDRO C[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCOC1 ZINC000357340600 382118414 /nfs/dbraw/zinc/11/84/14/382118414.db2.gz FEOHWEVCVFVHME-QZDDGCDVSA-N 1 0 276.336 2.767 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000357266014 382084126 /nfs/dbraw/zinc/08/41/26/382084126.db2.gz TYURLKWVRBYACA-SNVBAGLBSA-N 1 0 299.346 2.885 20 5 CFBDRO CC[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293360898 382093920 /nfs/dbraw/zinc/09/39/20/382093920.db2.gz HIYMEYVYQQEXEJ-QEJZJMRPSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cc(NCCNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000302223128 382219673 /nfs/dbraw/zinc/21/96/73/382219673.db2.gz PGOZRJLPAVEYHI-UHFFFAOYSA-N 1 0 272.308 2.822 20 5 CFBDRO C[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293777017 382275786 /nfs/dbraw/zinc/27/57/86/382275786.db2.gz SYCSCLQUGHHEHW-WBMJQRKESA-N 1 0 291.395 2.760 20 5 CFBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000344301407 382259580 /nfs/dbraw/zinc/25/95/80/382259580.db2.gz KFQOIYVWYQALEB-QMTHXVAHSA-N 1 0 297.786 2.821 20 5 CFBDRO Cc1c(C[N@@H+]2CCCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000377393352 382262821 /nfs/dbraw/zinc/26/28/21/382262821.db2.gz RZGWRNWZWMSANK-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000352312828 382271494 /nfs/dbraw/zinc/27/14/94/382271494.db2.gz APRLRTQDVCKFIW-UHFFFAOYSA-N 1 0 251.330 2.739 20 5 CFBDRO Cc1cccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289548 382344106 /nfs/dbraw/zinc/34/41/06/382344106.db2.gz TWZRXOZCJFJWPM-VXGBXAGGSA-N 1 0 263.341 2.833 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000357781218 382319104 /nfs/dbraw/zinc/31/91/04/382319104.db2.gz KOZYAPMZYGNORX-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000357793288 382325060 /nfs/dbraw/zinc/32/50/60/382325060.db2.gz BUKIDAKKQYZNRO-NSHDSACASA-N 1 0 297.403 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000302821498 382326458 /nfs/dbraw/zinc/32/64/58/382326458.db2.gz QSBUKBVFDCZDSZ-CYBMUJFWSA-N 1 0 293.342 2.799 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000377707082 382326936 /nfs/dbraw/zinc/32/69/36/382326936.db2.gz QQIAMNZSIDALSA-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377715844 382328938 /nfs/dbraw/zinc/32/89/38/382328938.db2.gz AMWLHVSABPBVKT-CHWSQXEVSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293996198 382370903 /nfs/dbraw/zinc/37/09/03/382370903.db2.gz CJCSVGHWXUJJFI-SNVBAGLBSA-N 1 0 275.308 2.929 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420345543 382376655 /nfs/dbraw/zinc/37/66/55/382376655.db2.gz ZSPIXQWQLIDUMO-WFASDCNBSA-N 1 0 295.358 2.598 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352526872 382381684 /nfs/dbraw/zinc/38/16/84/382381684.db2.gz STCJOGQMACZMIK-JTQLQIEISA-N 1 0 252.314 2.834 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)C[NH+]1CCCC1 ZINC000357948520 382386486 /nfs/dbraw/zinc/38/64/86/382386486.db2.gz SODCVERYBBPOKL-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188117470 382347589 /nfs/dbraw/zinc/34/75/89/382347589.db2.gz ZRTJNBRYOAEBAL-NEPJUHHUSA-N 1 0 266.341 2.540 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000305228887 382435812 /nfs/dbraw/zinc/43/58/12/382435812.db2.gz XBIKAPYLJYVLTF-AWEZNQCLSA-N 1 0 292.379 2.923 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294151034 382436597 /nfs/dbraw/zinc/43/65/97/382436597.db2.gz QBFNUYBZZQHJIE-FZMZJTMJSA-N 1 0 286.335 2.629 20 5 CFBDRO C[NH+](C)Cc1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294192502 382452833 /nfs/dbraw/zinc/45/28/33/382452833.db2.gz BHBJMFYIKRRIAH-UHFFFAOYSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000358188682 382495191 /nfs/dbraw/zinc/49/51/91/382495191.db2.gz LKJAXDKPUIBNON-IUODEOHRSA-N 1 0 296.367 2.687 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000358188685 382495348 /nfs/dbraw/zinc/49/53/48/382495348.db2.gz LKJAXDKPUIBNON-WFASDCNBSA-N 1 0 296.367 2.687 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188807506 382480796 /nfs/dbraw/zinc/48/07/96/382480796.db2.gz NIJOQKIIQQYMNQ-TZMCWYRMSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000308638563 382481541 /nfs/dbraw/zinc/48/15/41/382481541.db2.gz XENOARPQQIFJMW-UHFFFAOYSA-N 1 0 295.358 2.698 20 5 CFBDRO COC(=O)[C@H]1CCCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000378567082 382484114 /nfs/dbraw/zinc/48/41/14/382484114.db2.gz HUVOLRKSAQZYSX-CQSZACIVSA-N 1 0 292.335 2.512 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310785643 382496776 /nfs/dbraw/zinc/49/67/76/382496776.db2.gz AEBUGERSXYYPMP-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000311130480 382500346 /nfs/dbraw/zinc/50/03/46/382500346.db2.gz ZUVKNLNMLUMGOJ-LLVKDONJSA-N 1 0 251.330 2.735 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420935639 382500866 /nfs/dbraw/zinc/50/08/66/382500866.db2.gz HXDYJZLWTAGEON-XBFCOCLRSA-N 1 0 292.379 2.915 20 5 CFBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000420995393 382502309 /nfs/dbraw/zinc/50/23/09/382502309.db2.gz HXXDMXFVFKOSEQ-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406962 382506239 /nfs/dbraw/zinc/50/62/39/382506239.db2.gz BDXVZEZLTJRELN-ZBFHGGJFSA-N 1 0 289.379 2.511 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000311674573 382507755 /nfs/dbraw/zinc/50/77/55/382507755.db2.gz MEDXEJXLWZEDKX-UHFFFAOYSA-N 1 0 269.320 2.876 20 5 CFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000421401548 382519117 /nfs/dbraw/zinc/51/91/17/382519117.db2.gz CPDHGGUMAHHRKI-PXTSUWAFSA-N 1 0 289.379 2.634 20 5 CFBDRO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000353392729 382541137 /nfs/dbraw/zinc/54/11/37/382541137.db2.gz HKBWEBZKQYDBGH-FWPCIQOSSA-N 1 0 278.352 2.699 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CO)CCSC)c1cccc([N+](=O)[O-])c1 ZINC000358297996 382555420 /nfs/dbraw/zinc/55/54/20/382555420.db2.gz LWLNVRUYFJVRLK-TZMCWYRMSA-N 1 0 298.408 2.750 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)O1 ZINC000384675287 382556512 /nfs/dbraw/zinc/55/65/12/382556512.db2.gz YXWLKNBREQYCIW-KKFJDGPESA-N 1 0 284.743 2.904 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000294967023 382556957 /nfs/dbraw/zinc/55/69/57/382556957.db2.gz ZGELNKSLCBIFOK-RWSFTLGLSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000385610427 382572811 /nfs/dbraw/zinc/57/28/11/382572811.db2.gz GLSPPCFEEZLWBY-UHIISALHSA-N 1 0 264.325 2.608 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC000346837239 382536208 /nfs/dbraw/zinc/53/62/08/382536208.db2.gz XEZSXOVAKXRVMC-UHFFFAOYSA-N 1 0 281.337 2.593 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000388376032 382606610 /nfs/dbraw/zinc/60/66/10/382606610.db2.gz ZKJMXGBDXPVAOZ-MEBBXXQBSA-N 1 0 294.351 2.507 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000394085497 382626122 /nfs/dbraw/zinc/62/61/22/382626122.db2.gz NARSZUYBAOAKAD-YPMHNXCESA-N 1 0 266.341 2.510 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])s1 ZINC000189680778 382634665 /nfs/dbraw/zinc/63/46/65/382634665.db2.gz DWMVSRHDXBEPLF-JTQLQIEISA-N 1 0 284.385 2.728 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194089473 382734926 /nfs/dbraw/zinc/73/49/26/382734926.db2.gz OWWRNZKCEKOUDK-VHDGCEQUSA-N 1 0 288.347 2.642 20 5 CFBDRO CCN(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192748450 382711801 /nfs/dbraw/zinc/71/18/01/382711801.db2.gz LYICMXQMOPFWBE-HNNXBMFYSA-N 1 0 277.368 2.514 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192884152 382713306 /nfs/dbraw/zinc/71/33/06/382713306.db2.gz WHPNRUPYRIHWSI-SWLSCSKDSA-N 1 0 278.352 2.987 20 5 CFBDRO CC(C)OCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193283420 382717983 /nfs/dbraw/zinc/71/79/83/382717983.db2.gz GPEROMKQGBLSQL-HNNXBMFYSA-N 1 0 278.352 2.987 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193300877 382718373 /nfs/dbraw/zinc/71/83/73/382718373.db2.gz KSFBXGKIDFNVIX-WXWIHLEPSA-N 1 0 290.363 2.889 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193376488 382719364 /nfs/dbraw/zinc/71/93/64/382719364.db2.gz HNTKDPLJCJZQSS-LBPRGKRZSA-N 1 0 292.383 2.853 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCOCC2)c(F)c1 ZINC000336830061 382726011 /nfs/dbraw/zinc/72/60/11/382726011.db2.gz BIGDMNAVDBDLFF-UHFFFAOYSA-N 1 0 282.315 2.640 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000575400507 382770038 /nfs/dbraw/zinc/77/00/38/382770038.db2.gz GRCVUZVBCNITDN-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)c2ccsc2)cs1 ZINC000219084313 382792469 /nfs/dbraw/zinc/79/24/69/382792469.db2.gz QTQQKUBPWMRMKV-JTQLQIEISA-N 1 0 284.362 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000337297130 382796586 /nfs/dbraw/zinc/79/65/86/382796586.db2.gz OQHTZGSGUORZNX-NEPJUHHUSA-N 1 0 286.278 2.845 20 5 CFBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000220595076 382796878 /nfs/dbraw/zinc/79/68/78/382796878.db2.gz VDXPCOWTUNVHQJ-GXSJLCMTSA-N 1 0 252.339 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCSC1 ZINC000225516874 382817869 /nfs/dbraw/zinc/81/78/69/382817869.db2.gz QTJGWZYEOBIOAD-SNVBAGLBSA-N 1 0 272.757 2.843 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC000225586654 382818352 /nfs/dbraw/zinc/81/83/52/382818352.db2.gz ABGMEBQLQSTMKX-UHFFFAOYSA-N 1 0 283.378 2.754 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226331664 382826847 /nfs/dbraw/zinc/82/68/47/382826847.db2.gz NGJYSKKUTIHDSJ-RWMBFGLXSA-N 1 0 277.368 2.715 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000226428922 382828970 /nfs/dbraw/zinc/82/89/70/382828970.db2.gz IMKYHKQOPXRUTO-UHFFFAOYSA-N 1 0 291.355 2.613 20 5 CFBDRO CSC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000229417539 382851670 /nfs/dbraw/zinc/85/16/70/382851670.db2.gz DCLJSJUKYFLPMW-UHFFFAOYSA-N 1 0 254.355 2.826 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000227338679 382836042 /nfs/dbraw/zinc/83/60/42/382836042.db2.gz QWMRJWGHVUTCEY-AWEZNQCLSA-N 1 0 278.352 2.952 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227857620 382841755 /nfs/dbraw/zinc/84/17/55/382841755.db2.gz DTBBATHAHXMWEV-JTQLQIEISA-N 1 0 297.330 2.639 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889178 382842039 /nfs/dbraw/zinc/84/20/39/382842039.db2.gz DFZXABZYZRRAPI-MRVPVSSYSA-N 1 0 273.283 2.625 20 5 CFBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230147148 382856312 /nfs/dbraw/zinc/85/63/12/382856312.db2.gz ASCARYQEZDZQJE-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000230348798 382859572 /nfs/dbraw/zinc/85/95/72/382859572.db2.gz LCHCJZRXPPMOLW-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000577585850 382863882 /nfs/dbraw/zinc/86/38/82/382863882.db2.gz CAXGSBNMOQEFIK-HNNXBMFYSA-N 1 0 290.363 2.517 20 5 CFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000231080481 382864361 /nfs/dbraw/zinc/86/43/61/382864361.db2.gz QUZUSKLNFRVRDQ-ZDUSSCGKSA-N 1 0 284.331 2.621 20 5 CFBDRO CN(C)C(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648195 382866895 /nfs/dbraw/zinc/86/68/95/382866895.db2.gz CFVBVKXJHZKYJS-CYBMUJFWSA-N 1 0 277.368 2.512 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(NCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000236204644 382892575 /nfs/dbraw/zinc/89/25/75/382892575.db2.gz AWFSZAKWWHAYBT-SECBINFHSA-N 1 0 285.294 2.675 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000578893941 382964941 /nfs/dbraw/zinc/96/49/41/382964941.db2.gz IAZFQVVXVCVTPF-QMTHXVAHSA-N 1 0 284.331 2.621 20 5 CFBDRO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000421887400 382961381 /nfs/dbraw/zinc/96/13/81/382961381.db2.gz SRGHNSIWSWOLLP-YNEHKIRRSA-N 1 0 280.372 2.911 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCSC1 ZINC000578522255 382929036 /nfs/dbraw/zinc/92/90/36/382929036.db2.gz GEIZDFIXMHGKCM-ZWNOBZJWSA-N 1 0 278.377 2.925 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000548768265 382979865 /nfs/dbraw/zinc/97/98/65/382979865.db2.gz WMHQOCDUOMISBG-NEPJUHHUSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000338296155 382980642 /nfs/dbraw/zinc/98/06/42/382980642.db2.gz RAIKGEYSZJPUJM-AWEZNQCLSA-N 1 0 295.408 2.752 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000579614080 383037164 /nfs/dbraw/zinc/03/71/64/383037164.db2.gz PDTOVMXQOQDQOA-GXFFZTMASA-N 1 0 264.325 2.597 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n(C)n1 ZINC000551777678 383050900 /nfs/dbraw/zinc/05/09/00/383050900.db2.gz PFLPKUKGZZDNSN-LBPRGKRZSA-N 1 0 288.351 2.796 20 5 CFBDRO CC(C)OCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579859378 383061338 /nfs/dbraw/zinc/06/13/38/383061338.db2.gz QFNTYOQPZRRKAA-AWEZNQCLSA-N 1 0 278.352 2.987 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000245685661 383022410 /nfs/dbraw/zinc/02/24/10/383022410.db2.gz AGBXNFNDTCRBDJ-QWRGUYRKSA-N 1 0 294.351 2.842 20 5 CFBDRO O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccccn1)C1CC1 ZINC000339062234 383136287 /nfs/dbraw/zinc/13/62/87/383136287.db2.gz XJBJPHMDYYTLLT-UHFFFAOYSA-N 1 0 299.330 2.860 20 5 CFBDRO CCC[C@H](NC[C@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469306 383107063 /nfs/dbraw/zinc/10/70/63/383107063.db2.gz OTWMWXDZKMWDBI-OCCSQVGLSA-N 1 0 265.357 2.763 20 5 CFBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000449195633 383183980 /nfs/dbraw/zinc/18/39/80/383183980.db2.gz QYRRYTBVRYIPOK-CQSZACIVSA-N 1 0 280.372 2.740 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCC1 ZINC000449262991 383188082 /nfs/dbraw/zinc/18/80/82/383188082.db2.gz GLXUTVDOAWLGGW-CYBMUJFWSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000449282231 383198660 /nfs/dbraw/zinc/19/86/60/383198660.db2.gz GYUKVVDDMMODRL-SECBINFHSA-N 1 0 270.279 2.913 20 5 CFBDRO COCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449082625 383168117 /nfs/dbraw/zinc/16/81/17/383168117.db2.gz OPGKOUPPTOFKPN-LBPRGKRZSA-N 1 0 266.341 2.542 20 5 CFBDRO C[C@@H](F)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339498159 383217149 /nfs/dbraw/zinc/21/71/49/383217149.db2.gz XXZXRKDWPVRHHL-VLWUPBBWSA-N 1 0 252.289 2.946 20 5 CFBDRO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1C ZINC000249166292 383332808 /nfs/dbraw/zinc/33/28/08/383332808.db2.gz KEAXTPLSDLYFGI-NHYWBVRUSA-N 1 0 278.352 2.760 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cs1 ZINC000449514780 383349741 /nfs/dbraw/zinc/34/97/41/383349741.db2.gz YWKPYDLAQDUQDM-JSGCOSHPSA-N 1 0 296.392 2.543 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CF)CCOCC1 ZINC000449446097 383297586 /nfs/dbraw/zinc/29/75/86/383297586.db2.gz OIOQROSKAIIMPX-UHFFFAOYSA-N 1 0 282.315 2.512 20 5 CFBDRO CC/C=C\C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449457038 383304384 /nfs/dbraw/zinc/30/43/84/383304384.db2.gz NBKKKNMXWACNTP-QMAVJUDZSA-N 1 0 291.351 2.868 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000249069183 383323541 /nfs/dbraw/zinc/32/35/41/383323541.db2.gz KQDLEPQEQQLXAH-VNHYZAJKSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[NH+](CC)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340153682 383364037 /nfs/dbraw/zinc/36/40/37/383364037.db2.gz VFIMGTVBAPGBAG-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251036958 383384482 /nfs/dbraw/zinc/38/44/82/383384482.db2.gz IMZMRMJAPNNUHV-OLZOCXBDSA-N 1 0 275.352 2.942 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C(C)(C)OC ZINC000340230399 383386442 /nfs/dbraw/zinc/38/64/42/383386442.db2.gz HVAJUKDEYPKUFY-SNVBAGLBSA-N 1 0 282.340 2.507 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000568647424 383423929 /nfs/dbraw/zinc/42/39/29/383423929.db2.gz NJVDWYUWIDGWAG-LALPHHSUSA-N 1 0 289.379 2.654 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000568647423 383423986 /nfs/dbraw/zinc/42/39/86/383423986.db2.gz NJVDWYUWIDGWAG-JMSVASOKSA-N 1 0 289.379 2.654 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450535058 383451095 /nfs/dbraw/zinc/45/10/95/383451095.db2.gz KIGKXYSHHNHMBG-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[C@@H]2F)n1 ZINC000340521900 383456133 /nfs/dbraw/zinc/45/61/33/383456133.db2.gz GQZXLDARYFLRLY-ZDEQEGDKSA-N 1 0 296.346 2.755 20 5 CFBDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000340623719 383489255 /nfs/dbraw/zinc/48/92/55/383489255.db2.gz PDBFHIWGNIUDGR-LLVKDONJSA-N 1 0 264.325 2.551 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429486777 383536448 /nfs/dbraw/zinc/53/64/48/383536448.db2.gz BKWIKLWFEHNNJI-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000341155096 383586074 /nfs/dbraw/zinc/58/60/74/383586074.db2.gz ZQTOABKJQMDVBH-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO Cc1c(CN2C[C@H]([NH3+])Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000261964704 383586908 /nfs/dbraw/zinc/58/69/08/383586908.db2.gz PDZKKDXCHSILDG-OAHLLOKOSA-N 1 0 297.358 2.793 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(C)(C)CO ZINC000570404549 383601926 /nfs/dbraw/zinc/60/19/26/383601926.db2.gz SUOAGHLECIIWMT-LBPRGKRZSA-N 1 0 280.368 2.962 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000450952428 383565630 /nfs/dbraw/zinc/56/56/30/383565630.db2.gz SZNFEUQMIBIZLG-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570695953 383627376 /nfs/dbraw/zinc/62/73/76/383627376.db2.gz CZZKTFHDULPWHR-HZUKXOBISA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264560686 383755042 /nfs/dbraw/zinc/75/50/42/383755042.db2.gz FLDCLLAEZFBZRS-OAHLLOKOSA-N 1 0 289.379 2.655 20 5 CFBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571178480 383671475 /nfs/dbraw/zinc/67/14/75/383671475.db2.gz FJBCUFVGVLIDHS-TYNCELHUSA-N 1 0 290.363 2.844 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000280957022 195045642 /nfs/dbraw/zinc/04/56/42/195045642.db2.gz KFLUMPDDAHRPOV-AWEZNQCLSA-N 1 0 289.379 2.816 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)C(C)C ZINC000572662537 383804238 /nfs/dbraw/zinc/80/42/38/383804238.db2.gz OSSMQEPUFCFPMW-NSHDSACASA-N 1 0 281.356 2.744 20 5 CFBDRO CC(C)(CO)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453270055 383827223 /nfs/dbraw/zinc/82/72/23/383827223.db2.gz DRERONXRISGRRZ-HNNXBMFYSA-N 1 0 292.379 2.970 20 5 CFBDRO COc1cc(C[N@@H+]2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000436262914 383795208 /nfs/dbraw/zinc/79/52/08/383795208.db2.gz GLLNLGAOQIXLCV-UHFFFAOYSA-N 1 0 262.309 2.755 20 5 CFBDRO CC(C)(CO)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453270056 383826705 /nfs/dbraw/zinc/82/67/05/383826705.db2.gz DRERONXRISGRRZ-OAHLLOKOSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000531712279 383910146 /nfs/dbraw/zinc/91/01/46/383910146.db2.gz SNCSBDRBLCGORS-SWLSCSKDSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[C@H](C)O ZINC000531977073 383950519 /nfs/dbraw/zinc/95/05/19/383950519.db2.gz LPOTVTSFNAFNKA-WXHSDQCUSA-N 1 0 280.368 2.961 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC[C@H]2CCOC2)cc1 ZINC000438173000 383963637 /nfs/dbraw/zinc/96/36/37/383963637.db2.gz CLTBSVMZPBNLLC-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO CCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000266599440 384205840 /nfs/dbraw/zinc/20/58/40/384205840.db2.gz CQASFCNAJHFNAB-UHFFFAOYSA-N 1 0 284.381 2.953 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000266508624 384188381 /nfs/dbraw/zinc/18/83/81/384188381.db2.gz CYNLMCCOFJSHSA-UONOGXRCSA-N 1 0 291.395 2.929 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)C1 ZINC000266542889 384195206 /nfs/dbraw/zinc/19/52/06/384195206.db2.gz QMUONUXYFCTRBF-QWHCGFSZSA-N 1 0 277.368 2.682 20 5 CFBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266542930 384195342 /nfs/dbraw/zinc/19/53/42/384195342.db2.gz QOJMBJPWZPJDLM-NWDGAFQWSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000266765693 384235068 /nfs/dbraw/zinc/23/50/68/384235068.db2.gz HUUPWUKRIAYFOS-FZMZJTMJSA-N 1 0 290.319 2.880 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([NH+]2CCCC2)CC1 ZINC000301077048 285095030 /nfs/dbraw/zinc/09/50/30/285095030.db2.gz GGVTYBOZQXASGD-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267001151 384277120 /nfs/dbraw/zinc/27/71/20/384277120.db2.gz CUUUNRQKOLBEOS-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cs1 ZINC000277475110 384313026 /nfs/dbraw/zinc/31/30/26/384313026.db2.gz KVPPEIWWCRVCAD-ZDUSSCGKSA-N 1 0 295.408 2.763 20 5 CFBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267056520 384289981 /nfs/dbraw/zinc/28/99/81/384289981.db2.gz HNXZMGUXRAFGKB-OAHLLOKOSA-N 1 0 288.351 2.778 20 5 CFBDRO C[NH+](C)[C@]1(CNc2ccc(F)cc2[N+](=O)[O-])CCSC1 ZINC000267119451 384302522 /nfs/dbraw/zinc/30/25/22/384302522.db2.gz SYXLUTSMNVONKS-ZDUSSCGKSA-N 1 0 299.371 2.583 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCOC1 ZINC000267464652 384397962 /nfs/dbraw/zinc/39/79/62/384397962.db2.gz WCIMWSRMVCDUHV-RYUDHWBXSA-N 1 0 264.325 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000369467101 285111878 /nfs/dbraw/zinc/11/18/78/285111878.db2.gz LETOEIXJLXAWCW-GJZGRUSLSA-N 1 0 276.336 2.738 20 5 CFBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278257194 384510712 /nfs/dbraw/zinc/51/07/12/384510712.db2.gz PZSTZADBNBPICP-UHFFFAOYSA-N 1 0 267.285 2.735 20 5 CFBDRO Cc1n[nH]c(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289377861 197318791 /nfs/dbraw/zinc/31/87/91/197318791.db2.gz MEGRGJIVLVRBBO-UHFFFAOYSA-N 1 0 288.351 2.609 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000268163903 384549374 /nfs/dbraw/zinc/54/93/74/384549374.db2.gz PGRJTVZDQULRIL-OLZOCXBDSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000268224988 384571866 /nfs/dbraw/zinc/57/18/66/384571866.db2.gz KPZJQYARDCMDRK-CYBMUJFWSA-N 1 0 292.383 2.688 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268892325 384687390 /nfs/dbraw/zinc/68/73/90/384687390.db2.gz OKATXMPPFNBUFD-GWCFXTLKSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739321 384741811 /nfs/dbraw/zinc/74/18/11/384741811.db2.gz KKPUWBVDDFEMGF-AAEUAGOBSA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660854 384824799 /nfs/dbraw/zinc/82/47/99/384824799.db2.gz QJDZLZBOOYANKG-RISCZKNCSA-N 1 0 266.341 2.606 20 5 CFBDRO CC[C@H](C)C[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683311 384833691 /nfs/dbraw/zinc/83/36/91/384833691.db2.gz YYPDKYJRFPBQTE-WFASDCNBSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269832136 384876911 /nfs/dbraw/zinc/87/69/11/384876911.db2.gz PVPIAARJWAEZFZ-AVGNSLFASA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000280355189 384987845 /nfs/dbraw/zinc/98/78/45/384987845.db2.gz JIWDODHIENYSGS-NSHDSACASA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCO2)C2CC2)c1 ZINC000153331240 285153275 /nfs/dbraw/zinc/15/32/75/285153275.db2.gz FFNAGLUQEYCDOZ-HNNXBMFYSA-N 1 0 276.336 2.738 20 5 CFBDRO CCC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280648103 385099079 /nfs/dbraw/zinc/09/90/79/385099079.db2.gz FDZWZNZLLCLOIP-NSHDSACASA-N 1 0 291.351 2.551 20 5 CFBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000280666285 385107084 /nfs/dbraw/zinc/10/70/84/385107084.db2.gz TXNRMJXOUWJWLF-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCCC[C@@H]1CCO ZINC000342018934 285155578 /nfs/dbraw/zinc/15/55/78/285155578.db2.gz MJFMZXFEZLPQQO-GFCCVEGCSA-N 1 0 296.342 2.861 20 5 CFBDRO COc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282464240 385317568 /nfs/dbraw/zinc/31/75/68/385317568.db2.gz UEVHFBOYTKEDHV-AAEUAGOBSA-N 1 0 294.351 2.603 20 5 CFBDRO Cc1noc(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282460077 385317719 /nfs/dbraw/zinc/31/77/19/385317719.db2.gz MRQNUBLEBBKQGN-UHFFFAOYSA-N 1 0 289.335 2.874 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282635917 385358873 /nfs/dbraw/zinc/35/88/73/385358873.db2.gz BGFUAACSUDVTBP-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CO ZINC000271185887 385367050 /nfs/dbraw/zinc/36/70/50/385367050.db2.gz WPKGTHOVWWXUDZ-NEPJUHHUSA-N 1 0 298.408 2.684 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000271646058 385388110 /nfs/dbraw/zinc/38/81/10/385388110.db2.gz QWSKMRMIAHIMMZ-WFASDCNBSA-N 1 0 275.352 2.515 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283023640 385424299 /nfs/dbraw/zinc/42/42/99/385424299.db2.gz HBYZGEICLPMZRP-LBPRGKRZSA-N 1 0 282.315 2.592 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCSC1 ZINC000282819802 385394714 /nfs/dbraw/zinc/39/47/14/385394714.db2.gz AQRACFIUHHFFAZ-CYBMUJFWSA-N 1 0 280.393 2.822 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncs1 ZINC000283171775 385442227 /nfs/dbraw/zinc/44/22/27/385442227.db2.gz ZBQYZCPIAZKGKT-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCCC2)n1 ZINC000331694663 285169190 /nfs/dbraw/zinc/16/91/90/285169190.db2.gz ZOPPIYUWWSAHDV-OLZOCXBDSA-N 1 0 278.356 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC1(O)CCC1 ZINC000284163139 385542151 /nfs/dbraw/zinc/54/21/51/385542151.db2.gz WMSUFDMGOOYJFF-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO CC(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272470403 385545871 /nfs/dbraw/zinc/54/58/71/385545871.db2.gz AFNXLGJCFGUFPG-CQSZACIVSA-N 1 0 288.351 2.663 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000288819476 197172816 /nfs/dbraw/zinc/17/28/16/197172816.db2.gz MZVCJQOVNGPRHH-OAHLLOKOSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000286415325 385614732 /nfs/dbraw/zinc/61/47/32/385614732.db2.gz MOAZYGUBXWAMAP-SMDDNHRTSA-N 1 0 293.342 2.797 20 5 CFBDRO CCSCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272910152 385649198 /nfs/dbraw/zinc/64/91/98/385649198.db2.gz HTBZPDLFLLMIIX-UHFFFAOYSA-N 1 0 284.381 2.836 20 5 CFBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286741860 385699897 /nfs/dbraw/zinc/69/98/97/385699897.db2.gz CFQXYVOQBGUEHK-JTQLQIEISA-N 1 0 286.759 2.841 20 5 CFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274096593 385718052 /nfs/dbraw/zinc/71/80/52/385718052.db2.gz UMJXKFFBXGQHMK-UTUOFQBUSA-N 1 0 294.351 2.833 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000286850990 385723993 /nfs/dbraw/zinc/72/39/93/385723993.db2.gz AKRWMQWXYCKSMC-RYUDHWBXSA-N 1 0 295.383 2.594 20 5 CFBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000274903664 385893075 /nfs/dbraw/zinc/89/30/75/385893075.db2.gz TYQZJKMBLPZTBM-ZDUSSCGKSA-N 1 0 284.331 2.573 20 5 CFBDRO CC(C)(CNc1ccc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000276771463 386040417 /nfs/dbraw/zinc/04/04/17/386040417.db2.gz HGGPKEAJTURIFE-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CCOCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276987742 386101456 /nfs/dbraw/zinc/10/14/56/386101456.db2.gz ZLFBIMRSIQMUHT-UHFFFAOYSA-N 1 0 296.367 2.852 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000276902861 386075345 /nfs/dbraw/zinc/07/53/45/386075345.db2.gz DNEWZDYOSJZOTD-HUUCEWRRSA-N 1 0 294.351 2.521 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000288373623 197062223 /nfs/dbraw/zinc/06/22/23/197062223.db2.gz FIOIILIFKRRXTC-LBPRGKRZSA-N 1 0 296.392 2.836 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281212418 195151650 /nfs/dbraw/zinc/15/16/50/195151650.db2.gz SSFUWUDQJDSOJK-SMDDNHRTSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281271193 195174884 /nfs/dbraw/zinc/17/48/84/195174884.db2.gz NUJWWAQPQVSJQS-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000094774958 184860599 /nfs/dbraw/zinc/86/05/99/184860599.db2.gz FOEJQKQTQCQUAU-NXEZZACHSA-N 1 0 252.289 2.822 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000281703031 195344278 /nfs/dbraw/zinc/34/42/78/195344278.db2.gz NWFFOZBDBYDLOA-FZMZJTMJSA-N 1 0 294.351 2.603 20 5 CFBDRO C[N@H+](CCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281813927 195393406 /nfs/dbraw/zinc/39/34/06/195393406.db2.gz QLVZDJDZKNRZLE-UHFFFAOYSA-N 1 0 290.319 2.669 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000449781224 533382490 /nfs/dbraw/zinc/38/24/90/533382490.db2.gz WNGDSXYCBRDPOP-BILDBKGDSA-N 1 0 290.363 2.701 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449430803 533384723 /nfs/dbraw/zinc/38/47/23/533384723.db2.gz YPEZTRJZMXNMJM-IUAVZTLVSA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414513330 533669096 /nfs/dbraw/zinc/66/90/96/533669096.db2.gz KAGKBKNIHCULDZ-LOWVWBTDSA-N 1 0 294.351 2.507 20 5 CFBDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878381 130104197 /nfs/dbraw/zinc/10/41/97/130104197.db2.gz RSCSXPASFBMBSI-HUBLWGQQSA-N 1 0 289.379 2.728 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000342223022 130395516 /nfs/dbraw/zinc/39/55/16/130395516.db2.gz VVCKVNAPDAZYRB-QWRGUYRKSA-N 1 0 286.278 2.737 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000227337945 130841209 /nfs/dbraw/zinc/84/12/09/130841209.db2.gz VLENZWRWZPRYSZ-CQSZACIVSA-N 1 0 264.325 2.644 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000231883852 130921478 /nfs/dbraw/zinc/92/14/78/130921478.db2.gz HBDSMJHLWRMJGE-YUELXQCFSA-N 1 0 290.363 2.806 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000248368481 131114290 /nfs/dbraw/zinc/11/42/90/131114290.db2.gz VFVHAUWHWBMWCL-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000252212463 131133251 /nfs/dbraw/zinc/13/32/51/131133251.db2.gz YLGRIGNTTOJTNJ-NQBHXWOUSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000253603352 131145016 /nfs/dbraw/zinc/14/50/16/131145016.db2.gz KCQWPDVEDZUFTP-CHWSQXEVSA-N 1 0 293.367 2.506 20 5 CFBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000253603351 131145049 /nfs/dbraw/zinc/14/50/49/131145049.db2.gz KCQWPDVEDZUFTP-BETUJISGSA-N 1 0 293.367 2.506 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCCCO ZINC000263717289 131315332 /nfs/dbraw/zinc/31/53/32/131315332.db2.gz FBMURLZCWNHYPA-LBPRGKRZSA-N 1 0 266.341 2.750 20 5 CFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C ZINC000263736440 131318309 /nfs/dbraw/zinc/31/83/09/131318309.db2.gz DHHNIZNVLPRFGI-NSHDSACASA-N 1 0 293.367 2.900 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)cs1 ZINC000268998232 132098130 /nfs/dbraw/zinc/09/81/30/132098130.db2.gz YOQBKBGHAGWNHU-NSHDSACASA-N 1 0 282.365 2.848 20 5 CFBDRO CSC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269035267 132101934 /nfs/dbraw/zinc/10/19/34/132101934.db2.gz TUVIEYUNTLQOMP-BXUZGUMPSA-N 1 0 298.408 2.668 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000300414809 393466918 /nfs/dbraw/zinc/46/69/18/393466918.db2.gz OYOGIQJDSHLHBU-LKTVYLICSA-N 1 0 276.336 2.813 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCOC(C)C)cccc1[N+](=O)[O-] ZINC000186633861 393548309 /nfs/dbraw/zinc/54/83/09/393548309.db2.gz BKKIJGQAEOXDPB-LBPRGKRZSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331295224 393555409 /nfs/dbraw/zinc/55/54/09/393555409.db2.gz SGRCUQQRGYXSGU-XUJVJEKNSA-N 1 0 278.352 2.576 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000046056361 393577361 /nfs/dbraw/zinc/57/73/61/393577361.db2.gz KUGWGBNEKHLTLM-UHFFFAOYSA-N 1 0 264.325 2.850 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000193717651 393661653 /nfs/dbraw/zinc/66/16/53/393661653.db2.gz RFVJUOJBKOOQGS-ZDUSSCGKSA-N 1 0 291.351 2.694 20 5 CFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195512761 393742655 /nfs/dbraw/zinc/74/26/55/393742655.db2.gz YTKVSGSFCXBRGF-JTQLQIEISA-N 1 0 298.412 2.974 20 5 CFBDRO CCCNC(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411773732 393746876 /nfs/dbraw/zinc/74/68/76/393746876.db2.gz UCEHWLGELYDAOE-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411280025 393693296 /nfs/dbraw/zinc/69/32/96/393693296.db2.gz DDMLESRLVMNDCY-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424208107 393797345 /nfs/dbraw/zinc/79/73/45/393797345.db2.gz RNJGFFNQCIXLGG-PTEHBNRSSA-N 1 0 276.336 2.882 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111334051 393884547 /nfs/dbraw/zinc/88/45/47/393884547.db2.gz QMMAUICAHXIHKI-DGCLKSJQSA-N 1 0 284.743 2.905 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@H](C)C1 ZINC000470172700 393899006 /nfs/dbraw/zinc/89/90/06/393899006.db2.gz AJTIZBGOCLLENA-MAUPQMMJSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000114771402 393902849 /nfs/dbraw/zinc/90/28/49/393902849.db2.gz WISAEYSMEITJDI-LLVKDONJSA-N 1 0 290.319 2.715 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N(C)C ZINC000344820793 393904406 /nfs/dbraw/zinc/90/44/06/393904406.db2.gz HQLVUZGPRYDOAC-LLBKUYECSA-N 1 0 277.368 2.538 20 5 CFBDRO CN(C)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417355447 393950416 /nfs/dbraw/zinc/95/04/16/393950416.db2.gz NQFFMUCVEAWVSD-HNNXBMFYSA-N 1 0 289.379 2.656 20 5 CFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@@H]1C ZINC000120069850 393929237 /nfs/dbraw/zinc/92/92/37/393929237.db2.gz IKNBCXPAAXSUJY-QWHCGFSZSA-N 1 0 280.372 2.692 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347108082 393936744 /nfs/dbraw/zinc/93/67/44/393936744.db2.gz MJHDHQOYPXAPEB-SWLSCSKDSA-N 1 0 291.395 2.887 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000471820791 393920092 /nfs/dbraw/zinc/92/00/92/393920092.db2.gz IDPYHOIMBGIPGE-PSVOHZHUSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770651 393953690 /nfs/dbraw/zinc/95/36/90/393953690.db2.gz KSXKGUBJEIILMA-RYUDHWBXSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417396685 393956087 /nfs/dbraw/zinc/95/60/87/393956087.db2.gz XGPKDKHJMCABJU-ZYHUDNBSSA-N 1 0 299.321 2.585 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000430200598 393967366 /nfs/dbraw/zinc/96/73/66/393967366.db2.gz ARXDVWZXPZSIJM-GFCCVEGCSA-N 1 0 282.365 2.541 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000430218023 393969981 /nfs/dbraw/zinc/96/99/81/393969981.db2.gz KWIPYBZFBZFOBT-DGCLKSJQSA-N 1 0 294.351 2.508 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000430225465 393970484 /nfs/dbraw/zinc/97/04/84/393970484.db2.gz XZOTWRWQZQQGLO-KGLIPLIRSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000430225886 393970921 /nfs/dbraw/zinc/97/09/21/393970921.db2.gz ZIOUXRQAMKXUGG-GHMZBOCLSA-N 1 0 264.325 2.976 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000268973561 393998099 /nfs/dbraw/zinc/99/80/99/393998099.db2.gz IOLNGHZKUAPMHK-WZRBSPASSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000269026506 394000034 /nfs/dbraw/zinc/00/00/34/394000034.db2.gz CSTDNZFRERDSSL-JECHBYEQSA-N 1 0 298.342 2.904 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351926899 394008522 /nfs/dbraw/zinc/00/85/22/394008522.db2.gz MHZPXVABRSKQLC-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H](C[NH3+])Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420231270 394100557 /nfs/dbraw/zinc/10/05/57/394100557.db2.gz BTLWNPOZNGKQQK-RXMQYKEDSA-N 1 0 264.112 2.661 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354416249 394047109 /nfs/dbraw/zinc/04/71/09/394047109.db2.gz OHTCNQKUATYRPB-CZUORRHYSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cs1 ZINC000355106810 394058018 /nfs/dbraw/zinc/05/80/18/394058018.db2.gz IOEHTXKMESESHT-VXGBXAGGSA-N 1 0 282.365 2.657 20 5 CFBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355936209 394072312 /nfs/dbraw/zinc/07/23/12/394072312.db2.gz WIZWCFDERPNIIP-QWRGUYRKSA-N 1 0 280.372 2.727 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCc2ncsc2C1 ZINC000438374705 394079398 /nfs/dbraw/zinc/07/93/98/394079398.db2.gz LRLFQMSDRIVCCS-UHFFFAOYSA-N 1 0 289.360 2.918 20 5 CFBDRO C[NH2+]CCCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420140931 394085451 /nfs/dbraw/zinc/08/54/51/394085451.db2.gz QRINUDGQCBDFOP-UHFFFAOYSA-N 1 0 291.273 2.943 20 5 CFBDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129609794 394091142 /nfs/dbraw/zinc/09/11/42/394091142.db2.gz IUUSFSLWWXWQGM-IHRRRGAJSA-N 1 0 278.352 2.795 20 5 CFBDRO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420191218 394091331 /nfs/dbraw/zinc/09/13/31/394091331.db2.gz HMBISLWFOKGITH-ZETCQYMHSA-N 1 0 290.150 2.700 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000358357649 394105338 /nfs/dbraw/zinc/10/53/38/394105338.db2.gz QYTXWQSXCSQYEE-WCBMZHEXSA-N 1 0 292.257 2.559 20 5 CFBDRO CC[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000126500421 394029339 /nfs/dbraw/zinc/02/93/39/394029339.db2.gz IAMDSIRNEXWPQL-ZDUSSCGKSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C ZINC000281996803 394108010 /nfs/dbraw/zinc/10/80/10/394108010.db2.gz INTFJIDULPABSU-MFKMUULPSA-N 1 0 291.351 2.620 20 5 CFBDRO CC(=O)c1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420277768 394114054 /nfs/dbraw/zinc/11/40/54/394114054.db2.gz IVRHNVHXCSTGIM-NEPJUHHUSA-N 1 0 291.351 2.727 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420279569 394115092 /nfs/dbraw/zinc/11/50/92/394115092.db2.gz KFDNLEFJNKOTKI-DGCLKSJQSA-N 1 0 293.367 2.671 20 5 CFBDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000421195847 394179588 /nfs/dbraw/zinc/17/95/88/394179588.db2.gz DTYUMNXALUWZMI-LBPRGKRZSA-N 1 0 278.352 2.941 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000421373195 394207193 /nfs/dbraw/zinc/20/71/93/394207193.db2.gz DOPDVJNDGBLVMJ-WDEREUQCSA-N 1 0 270.354 2.704 20 5 CFBDRO CC[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421379496 394210688 /nfs/dbraw/zinc/21/06/88/394210688.db2.gz LGOGGAXPEFLJFW-NEPJUHHUSA-N 1 0 293.367 2.948 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCF)C1CC1 ZINC000135220825 394212430 /nfs/dbraw/zinc/21/24/30/394212430.db2.gz KEUAJTNDERPQIK-UHFFFAOYSA-N 1 0 252.289 2.919 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000449135515 394225471 /nfs/dbraw/zinc/22/54/71/394225471.db2.gz PXKZUASKAHVTAA-CHWSQXEVSA-N 1 0 291.395 2.598 20 5 CFBDRO CCn1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449159548 394235007 /nfs/dbraw/zinc/23/50/07/394235007.db2.gz HFVYXWSJWLMQDY-GFCCVEGCSA-N 1 0 288.351 2.532 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449172855 394240729 /nfs/dbraw/zinc/24/07/29/394240729.db2.gz MQPZBCYWPHNPNP-TUKIKUTGSA-N 1 0 292.379 2.929 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000449179140 394243330 /nfs/dbraw/zinc/24/33/30/394243330.db2.gz YYKBFRBNWCOLLU-JQWIXIFHSA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449209539 394253061 /nfs/dbraw/zinc/25/30/61/394253061.db2.gz UUSHNSRUPKELJS-OLZOCXBDSA-N 1 0 280.368 2.524 20 5 CFBDRO COC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449229483 394260130 /nfs/dbraw/zinc/26/01/30/394260130.db2.gz BGZIEWXBAIZLJD-GFCCVEGCSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@@H]1CCOCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367700442 394260489 /nfs/dbraw/zinc/26/04/89/394260489.db2.gz BZVZUCQBHDTWSK-DIECRNLCSA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1c(C[N@@H+](C(C)C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000291790655 394260557 /nfs/dbraw/zinc/26/05/57/394260557.db2.gz MSBPJUZNDXONQP-CQSZACIVSA-N 1 0 278.352 2.903 20 5 CFBDRO Cc1c(CN[C@H]2CCCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077708 394265578 /nfs/dbraw/zinc/26/55/78/394265578.db2.gz MWCUAMSLRLVXBD-KBPBESRZSA-N 1 0 277.368 2.653 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153748548 394291355 /nfs/dbraw/zinc/29/13/55/394291355.db2.gz KGDLEKNBHFACCB-LLVKDONJSA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000450546806 394295151 /nfs/dbraw/zinc/29/51/51/394295151.db2.gz LBIFXCLSMKAVMF-LBPRGKRZSA-N 1 0 289.379 2.824 20 5 CFBDRO CC[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423574293 394299376 /nfs/dbraw/zinc/29/93/76/394299376.db2.gz ZQCJNNQBMJPUKU-UKRRQHHQSA-N 1 0 277.368 2.778 20 5 CFBDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155097905 394310423 /nfs/dbraw/zinc/31/04/23/394310423.db2.gz QZCUEYHZSQVAGS-ZJUUUORDSA-N 1 0 254.355 2.997 20 5 CFBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCOCC1 ZINC000156049875 394328175 /nfs/dbraw/zinc/32/81/75/394328175.db2.gz OWYQKVAJBSAVAR-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C1CCC1)CCC2 ZINC000453378789 394392716 /nfs/dbraw/zinc/39/27/16/394392716.db2.gz JQLJADUVRMUDRD-HOTGVXAUSA-N 1 0 290.363 2.723 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@H](C)O)cc1[N+](=O)[O-] ZINC000453322218 394385589 /nfs/dbraw/zinc/38/55/89/394385589.db2.gz AEBBCVJICASQLV-GMXVVIOVSA-N 1 0 296.367 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1(CO)CC1)CCC2 ZINC000453351078 394389461 /nfs/dbraw/zinc/38/94/61/394389461.db2.gz PIXGBPIZIYBYEA-HNNXBMFYSA-N 1 0 290.363 2.724 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC=CCC1 ZINC000530423597 394515885 /nfs/dbraw/zinc/51/58/85/394515885.db2.gz JNRUKSXXCPPDAJ-AWEZNQCLSA-N 1 0 289.379 2.816 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CN(C)C(C)C)n1 ZINC000545686999 394799668 /nfs/dbraw/zinc/79/96/68/394799668.db2.gz UIIAFGFRAVYCLB-UHFFFAOYSA-N 1 0 290.323 2.793 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2OCC)cc1[N+](=O)[O-] ZINC000556078746 394989338 /nfs/dbraw/zinc/98/93/38/394989338.db2.gz ZJIGFISVPTZTNO-JVLSTEMRSA-N 1 0 294.351 2.822 20 5 CFBDRO CC(C)C[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355903125 155132618 /nfs/dbraw/zinc/13/26/18/155132618.db2.gz CHXOFKAQCSIPHQ-STQMWFEESA-N 1 0 292.383 2.911 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449521008 285682700 /nfs/dbraw/zinc/68/27/00/285682700.db2.gz GZMPIUCOBLLJTN-BBUPELFUSA-N 1 0 276.336 2.765 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449172853 285822776 /nfs/dbraw/zinc/82/27/76/285822776.db2.gz MQPZBCYWPHNPNP-KCPJHIHWSA-N 1 0 292.379 2.929 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421010769 397571912 /nfs/dbraw/zinc/57/19/12/397571912.db2.gz RDXAQRQSAKHMJO-OLZOCXBDSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000295143420 397634533 /nfs/dbraw/zinc/63/45/33/397634533.db2.gz CMESZICJJGKHQH-GXFFZTMASA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269898979 292131761 /nfs/dbraw/zinc/13/17/61/292131761.db2.gz FGWNXSUCRLDVLV-KGLIPLIRSA-N 1 0 289.379 2.824 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000356259018 155199876 /nfs/dbraw/zinc/19/98/76/155199876.db2.gz WHYUAVWMLZRTAR-UHFFFAOYSA-N 1 0 296.367 2.503 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168536684 292195837 /nfs/dbraw/zinc/19/58/37/292195837.db2.gz NVVBGZKZJLJBEZ-NWDGAFQWSA-N 1 0 265.357 2.504 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000356850382 155395230 /nfs/dbraw/zinc/39/52/30/155395230.db2.gz QFKYTOHMMLNNAY-GXTWGEPZSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348155753 154343185 /nfs/dbraw/zinc/34/31/85/154343185.db2.gz ZCKGOJKHIXSERJ-ZWNOBZJWSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H](C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000355540942 155036671 /nfs/dbraw/zinc/03/66/71/155036671.db2.gz HOJICCIWVMVBIO-GFCCVEGCSA-N 1 0 288.351 2.564 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000355775110 155082443 /nfs/dbraw/zinc/08/24/43/155082443.db2.gz HGZHGFZJENXVQQ-ZYHUDNBSSA-N 1 0 282.315 2.639 20 5 CFBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358203308 155671311 /nfs/dbraw/zinc/67/13/11/155671311.db2.gz NPJQYAIEYCCQQK-DGCLKSJQSA-N 1 0 296.367 2.605 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000362963432 156129206 /nfs/dbraw/zinc/12/92/06/156129206.db2.gz MKGQVLKWASMPRH-JSGCOSHPSA-N 1 0 294.351 2.651 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000363910886 156204319 /nfs/dbraw/zinc/20/43/19/156204319.db2.gz SDAUMTVIWOBORI-UHFFFAOYSA-N 1 0 290.363 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1F ZINC000367564893 156349006 /nfs/dbraw/zinc/34/90/06/156349006.db2.gz KCNKQSXBMGVGTP-UHFFFAOYSA-N 1 0 294.326 2.783 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000374302999 157095991 /nfs/dbraw/zinc/09/59/91/157095991.db2.gz RJPWJIJLZUQCHX-ZDUSSCGKSA-N 1 0 276.336 2.706 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000374328501 157099677 /nfs/dbraw/zinc/09/96/77/157099677.db2.gz ILTBVRSAGQLJNK-UHFFFAOYSA-N 1 0 276.336 2.658 20 5 CFBDRO C[NH+]1CCC2(CCCN2Cc2csc([N+](=O)[O-])c2)CC1 ZINC000375514899 157252986 /nfs/dbraw/zinc/25/29/86/157252986.db2.gz ZIQNFVHYTFHQOW-UHFFFAOYSA-N 1 0 295.408 2.717 20 5 CFBDRO CN(c1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376175837 157329744 /nfs/dbraw/zinc/32/97/44/157329744.db2.gz ZSRHYVJPWQRYPL-FUNVUKJBSA-N 1 0 293.342 2.795 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCOC1 ZINC000344385781 162029243 /nfs/dbraw/zinc/02/92/43/162029243.db2.gz BLZFRYZYESUYAQ-HNNXBMFYSA-N 1 0 294.351 2.510 20 5 CFBDRO COCCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344694734 162100012 /nfs/dbraw/zinc/10/00/12/162100012.db2.gz DLWKDYDKYSWQGQ-UHFFFAOYSA-N 1 0 258.343 2.561 20 5 CFBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344781630 162120153 /nfs/dbraw/zinc/12/01/53/162120153.db2.gz WYTWHEUVQJFATI-JTQLQIEISA-N 1 0 277.349 2.772 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnn(C)c1 ZINC000344793766 162124979 /nfs/dbraw/zinc/12/49/79/162124979.db2.gz PMBQMAUEODSHKG-SDQBBNPISA-N 1 0 286.335 2.521 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCN1C ZINC000344829028 162129707 /nfs/dbraw/zinc/12/97/07/162129707.db2.gz CMIKPVACURJFBA-WQMJKPAKSA-N 1 0 289.379 2.682 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000449651293 286920593 /nfs/dbraw/zinc/92/05/93/286920593.db2.gz VQYXZSHNBICXAK-LNSITVRQSA-N 1 0 280.368 2.665 20 5 CFBDRO CCC[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000346344232 162389381 /nfs/dbraw/zinc/38/93/81/162389381.db2.gz JJTFVIQVKNPGBI-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000346830883 162528930 /nfs/dbraw/zinc/52/89/30/162528930.db2.gz PLJRZKMXBAVBGY-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000347848209 162785657 /nfs/dbraw/zinc/78/56/57/162785657.db2.gz AXDDCOVEAKLOCN-UHFFFAOYSA-N 1 0 295.383 2.674 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349850533 163025757 /nfs/dbraw/zinc/02/57/57/163025757.db2.gz FROUJLGLTGCLAG-WIHITOCESA-N 1 0 276.336 2.525 20 5 CFBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350087130 163057737 /nfs/dbraw/zinc/05/77/37/163057737.db2.gz DIRCVMOTVCOBQP-FZMZJTMJSA-N 1 0 280.368 2.790 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000350099048 163059437 /nfs/dbraw/zinc/05/94/37/163059437.db2.gz MMNGFUTZIRRUIZ-UONOGXRCSA-N 1 0 278.352 2.806 20 5 CFBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350311717 163071753 /nfs/dbraw/zinc/07/17/53/163071753.db2.gz JYAKUSCXUUPOPW-JQWIXIFHSA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350311262 163072205 /nfs/dbraw/zinc/07/22/05/163072205.db2.gz GYGWVUDUACBMDL-QWRGUYRKSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000350518061 163090037 /nfs/dbraw/zinc/09/00/37/163090037.db2.gz SJUPAFNDVBZWFE-VXGBXAGGSA-N 1 0 288.351 2.610 20 5 CFBDRO CC[C@H](C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000350840880 163110007 /nfs/dbraw/zinc/11/00/07/163110007.db2.gz YZKLGZBJACXHFF-ZDUSSCGKSA-N 1 0 277.368 2.763 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000352695331 163224848 /nfs/dbraw/zinc/22/48/48/163224848.db2.gz YOUDWIPBXIJEGL-UHFFFAOYSA-N 1 0 284.331 2.982 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000352823807 163244074 /nfs/dbraw/zinc/24/40/74/163244074.db2.gz LLOKJBRSEPVWRW-OAHLLOKOSA-N 1 0 294.351 2.652 20 5 CFBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352878666 163259663 /nfs/dbraw/zinc/25/96/63/163259663.db2.gz DNQILMQPPPBHIQ-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000353135012 163312362 /nfs/dbraw/zinc/31/23/62/163312362.db2.gz XBOREBMLFOCHFF-OAHLLOKOSA-N 1 0 298.342 2.997 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000353131845 163313547 /nfs/dbraw/zinc/31/35/47/163313547.db2.gz ZJFJWMAZBSBKIG-OAHLLOKOSA-N 1 0 277.368 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3cc[nH]c3n2)cc1 ZINC000353220685 163319290 /nfs/dbraw/zinc/31/92/90/163319290.db2.gz OIDJKCWJBBGHEW-UHFFFAOYSA-N 1 0 282.303 2.761 20 5 CFBDRO CCc1nocc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000353455160 163369702 /nfs/dbraw/zinc/36/97/02/163369702.db2.gz PIYXVJXSZYTTGJ-UHFFFAOYSA-N 1 0 289.335 2.820 20 5 CFBDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000280989496 287019467 /nfs/dbraw/zinc/01/94/67/287019467.db2.gz JPVVPDWMJMOGNQ-BIBXISHDSA-N 1 0 296.392 2.547 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245397291 287145110 /nfs/dbraw/zinc/14/51/10/287145110.db2.gz ORGFENHSZBSWPD-XJKSGUPXSA-N 1 0 289.379 2.826 20 5 CFBDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000020526325 171239345 /nfs/dbraw/zinc/23/93/45/171239345.db2.gz ZSGAXSPECGOMCK-LBPRGKRZSA-N 1 0 274.324 2.532 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000021029053 171291578 /nfs/dbraw/zinc/29/15/78/171291578.db2.gz NYBUCHMXCHMAGQ-LBPRGKRZSA-N 1 0 280.372 2.912 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285020944 196180316 /nfs/dbraw/zinc/18/03/16/196180316.db2.gz HKVVDJTXTJYSPZ-IUCAKERBSA-N 1 0 269.370 2.579 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000035693397 172362483 /nfs/dbraw/zinc/36/24/83/172362483.db2.gz KXNCWWAAMVTIRY-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035735512 172387461 /nfs/dbraw/zinc/38/74/61/172387461.db2.gz SZNPBPWOUOONHF-SMDDNHRTSA-N 1 0 264.325 2.560 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000285437932 196285205 /nfs/dbraw/zinc/28/52/05/196285205.db2.gz FOPJKXMRMCNBFZ-OAHLLOKOSA-N 1 0 294.351 2.652 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000285529325 196316410 /nfs/dbraw/zinc/31/64/10/196316410.db2.gz ZTEWUWXNUYZSLU-BETUJISGSA-N 1 0 294.351 2.603 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285612992 196344564 /nfs/dbraw/zinc/34/45/64/196344564.db2.gz VYNUBEFYQYYBEP-GXTWGEPZSA-N 1 0 278.352 2.665 20 5 CFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000285664975 196359554 /nfs/dbraw/zinc/35/95/54/196359554.db2.gz PCVYYNXGRLIKLI-UHFFFAOYSA-N 1 0 279.340 2.551 20 5 CFBDRO CC(=O)c1cc(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000285730093 196381455 /nfs/dbraw/zinc/38/14/55/196381455.db2.gz SSEWCMNTQZCEPP-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000037420752 173197613 /nfs/dbraw/zinc/19/76/13/173197613.db2.gz GYUKHKHTRYYTFF-JTQLQIEISA-N 1 0 267.304 2.630 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccs1 ZINC000037467107 173226862 /nfs/dbraw/zinc/22/68/62/173226862.db2.gz VRGXVSZSUPBHAJ-UHFFFAOYSA-N 1 0 278.333 2.955 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000038028990 174018002 /nfs/dbraw/zinc/01/80/02/174018002.db2.gz AYOUDRVWILBSSZ-CQSZACIVSA-N 1 0 291.395 2.867 20 5 CFBDRO C[C@H](CNc1ccncc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000038042159 174045457 /nfs/dbraw/zinc/04/54/57/174045457.db2.gz GFAXJUHPROMNDM-GFCCVEGCSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000038042158 174045580 /nfs/dbraw/zinc/04/55/80/174045580.db2.gz GFAXJUHPROMNDM-LBPRGKRZSA-N 1 0 278.356 2.524 20 5 CFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000040444351 174264099 /nfs/dbraw/zinc/26/40/99/174264099.db2.gz KQPSPXJAYUCWLE-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669954 174368354 /nfs/dbraw/zinc/36/83/54/174368354.db2.gz OYELYZQANNWXRX-SWLSCSKDSA-N 1 0 292.383 2.912 20 5 CFBDRO COC(C)(C)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675956 174373612 /nfs/dbraw/zinc/37/36/12/174373612.db2.gz KQOVFKOBFCHSQC-GFCCVEGCSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000040770983 174399842 /nfs/dbraw/zinc/39/98/42/174399842.db2.gz WOAOHRKYNLPFFL-AWEZNQCLSA-N 1 0 291.395 2.977 20 5 CFBDRO CC(C)CCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000045093987 175306610 /nfs/dbraw/zinc/30/66/10/175306610.db2.gz ANFZYLDKLOFFEA-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000071333159 176126051 /nfs/dbraw/zinc/12/60/51/176126051.db2.gz ASSMKOMOIZUCRK-AWEZNQCLSA-N 1 0 274.324 2.569 20 5 CFBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000071954227 176304552 /nfs/dbraw/zinc/30/45/52/176304552.db2.gz TXWTUPZHLIBSJH-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000313069508 260243509 /nfs/dbraw/zinc/24/35/09/260243509.db2.gz XNFZTVVZBLEQKV-GWCFXTLKSA-N 1 0 264.325 2.670 20 5 CFBDRO CC1CCC(O)(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000518362981 260384259 /nfs/dbraw/zinc/38/42/59/260384259.db2.gz XPJMCCJOFQCRDT-UHFFFAOYSA-N 1 0 292.379 2.668 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000222683421 270255363 /nfs/dbraw/zinc/25/53/63/270255363.db2.gz GIFVZAXMEHMKFA-KBPBESRZSA-N 1 0 261.325 2.634 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192841747 270235082 /nfs/dbraw/zinc/23/50/82/270235082.db2.gz NUOPGRDSSQRSKE-HUUCEWRRSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193849588 270240352 /nfs/dbraw/zinc/24/03/52/270240352.db2.gz IXBAGOQDSZWDSG-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000194098283 270242534 /nfs/dbraw/zinc/24/25/34/270242534.db2.gz YPCDNYKFVAJZBQ-UHFFFAOYSA-N 1 0 252.314 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000397777344 270319232 /nfs/dbraw/zinc/31/92/32/270319232.db2.gz XQEYFJXTMJVIIR-JGPRNRPPSA-N 1 0 250.273 2.622 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1 ZINC000397921946 270320853 /nfs/dbraw/zinc/32/08/53/270320853.db2.gz IAYMXBBZWVNITK-IONNQARKSA-N 1 0 258.368 2.640 20 5 CFBDRO COc1cc(C[N@H+](C)[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000514807505 270354791 /nfs/dbraw/zinc/35/47/91/270354791.db2.gz WAZAJBLXBBTENL-SNVBAGLBSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncc[nH]1 ZINC000516111876 270377757 /nfs/dbraw/zinc/37/77/57/270377757.db2.gz JMLAGGBUVAPUFA-JTQLQIEISA-N 1 0 299.334 2.693 20 5 CFBDRO Cc1occc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000516257875 270379444 /nfs/dbraw/zinc/37/94/44/270379444.db2.gz VQDHOWKODBKFRD-UHFFFAOYSA-N 1 0 276.292 2.665 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000526966483 270488254 /nfs/dbraw/zinc/48/82/54/270488254.db2.gz WUDCBENPJUBPEF-SDDRHHMPSA-N 1 0 266.341 2.977 20 5 CFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339368498 273517360 /nfs/dbraw/zinc/51/73/60/273517360.db2.gz VBWSGLRKDKVLAN-LLVKDONJSA-N 1 0 276.296 2.691 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279048051 273546700 /nfs/dbraw/zinc/54/67/00/273546700.db2.gz JXWZHBFJOPFESV-CABCVRRESA-N 1 0 292.379 2.924 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000450861290 273744229 /nfs/dbraw/zinc/74/42/29/273744229.db2.gz PHUVJJOAYDUDKZ-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO CN(C)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417338105 273796573 /nfs/dbraw/zinc/79/65/73/273796573.db2.gz YBMNBVUAFAGHKL-HNNXBMFYSA-N 1 0 277.368 2.514 20 5 CFBDRO C[NH2+]CCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423208590 273960021 /nfs/dbraw/zinc/96/00/21/273960021.db2.gz ZJJSJYZGPYHABL-CQSZACIVSA-N 1 0 277.368 2.516 20 5 CFBDRO COCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297222 274036648 /nfs/dbraw/zinc/03/66/48/274036648.db2.gz IHGYYAMKPUROJS-AWEZNQCLSA-N 1 0 264.325 2.598 20 5 CFBDRO C[C@@H](CN(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000287151678 274212830 /nfs/dbraw/zinc/21/28/30/274212830.db2.gz STVDBQWMEKDACU-XHDPSFHLSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276916900 274278056 /nfs/dbraw/zinc/27/80/56/274278056.db2.gz KBJMPDWMNFSGEV-NSHDSACASA-N 1 0 299.330 2.815 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769394 274317365 /nfs/dbraw/zinc/31/73/65/274317365.db2.gz CPJPFXDNALULOE-CJNGLKHVSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)C2CC2)cc1 ZINC000130525518 275035471 /nfs/dbraw/zinc/03/54/71/275035471.db2.gz BJIUMSZBKRDHOM-OAHLLOKOSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)c(Cl)c1 ZINC000057857778 275035966 /nfs/dbraw/zinc/03/59/66/275035966.db2.gz NGXLSOGMRYBXHD-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCOC1)CCC2 ZINC000192708406 275037870 /nfs/dbraw/zinc/03/78/70/275037870.db2.gz PZNCGRBJLBQHDO-WBMJQRKESA-N 1 0 290.363 2.988 20 5 CFBDRO CCC[C@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706889 276040109 /nfs/dbraw/zinc/04/01/09/276040109.db2.gz PJMXTXAPGAIKAC-NSHDSACASA-N 1 0 264.325 2.978 20 5 CFBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000449195632 276044649 /nfs/dbraw/zinc/04/46/49/276044649.db2.gz QYRRYTBVRYIPOK-AWEZNQCLSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000267232127 276073642 /nfs/dbraw/zinc/07/36/42/276073642.db2.gz LCYACNDEGMDPJP-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000345165545 276250855 /nfs/dbraw/zinc/25/08/55/276250855.db2.gz ATNVXTGSIUWLLD-MNOVXSKESA-N 1 0 281.331 2.653 20 5 CFBDRO CC[C@@H](COC)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358187656 276427762 /nfs/dbraw/zinc/42/77/62/276427762.db2.gz ZOSYZSGTRMSQTQ-AWEZNQCLSA-N 1 0 280.368 2.932 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000290294869 276525885 /nfs/dbraw/zinc/52/58/85/276525885.db2.gz YGPSCCXWTBTZEB-GWCFXTLKSA-N 1 0 252.314 2.670 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133732395 277070036 /nfs/dbraw/zinc/07/00/36/277070036.db2.gz YUQLQHOSTIJYMU-YPMHNXCESA-N 1 0 293.342 2.654 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347021768 277092433 /nfs/dbraw/zinc/09/24/33/277092433.db2.gz NNTBZCMELQNKJO-JTNHKYCSSA-N 1 0 292.335 2.539 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000364302344 277178298 /nfs/dbraw/zinc/17/82/98/277178298.db2.gz IKBVQKKDACGSPH-IINYFYTJSA-N 1 0 295.770 2.779 20 5 CFBDRO COCCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266930075 277205734 /nfs/dbraw/zinc/20/57/34/277205734.db2.gz SGSLEBRUTZCKEH-UHFFFAOYSA-N 1 0 272.732 2.717 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000234394176 277282859 /nfs/dbraw/zinc/28/28/59/277282859.db2.gz CNMKHADRKBIGFI-QMMMGPOBSA-N 1 0 257.721 2.516 20 5 CFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245402592 277347988 /nfs/dbraw/zinc/34/79/88/277347988.db2.gz IPTQXDULVHCZJU-WCQYABFASA-N 1 0 292.335 2.541 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178551286 277599962 /nfs/dbraw/zinc/59/99/62/277599962.db2.gz ZLTGCLOCMWULNM-YGRLFVJLSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000252413695 278268464 /nfs/dbraw/zinc/26/84/64/278268464.db2.gz RBCCXZFGYWSBFA-COPLHBTASA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000217635348 278274720 /nfs/dbraw/zinc/27/47/20/278274720.db2.gz LXDZQASNPCSFGC-MAZHCROVSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000351503734 278288796 /nfs/dbraw/zinc/28/87/96/278288796.db2.gz SMFKBOVRGMHBIC-LBPRGKRZSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728637 278348160 /nfs/dbraw/zinc/34/81/60/278348160.db2.gz MPMVNMHVBNOOTL-OLZOCXBDSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000297449054 278364767 /nfs/dbraw/zinc/36/47/67/278364767.db2.gz WVXCJQPYMSHTLM-WDEREUQCSA-N 1 0 274.324 2.740 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105600 278387889 /nfs/dbraw/zinc/38/78/89/278387889.db2.gz UNGBEMAHXUZUDS-PWSUYJOCSA-N 1 0 286.335 2.526 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317157 278392267 /nfs/dbraw/zinc/39/22/67/278392267.db2.gz VVKAXELQHSQULJ-ABAIWWIYSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)C[C@H]([NH3+])CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414677936 279178616 /nfs/dbraw/zinc/17/86/16/279178616.db2.gz PXDXJBKZFZXOID-AWEZNQCLSA-N 1 0 291.395 2.933 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000417317413 279349179 /nfs/dbraw/zinc/34/91/79/279349179.db2.gz WPWRMPUDDBTMQK-MLGOLLRUSA-N 1 0 291.395 2.902 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037157061 279388374 /nfs/dbraw/zinc/38/83/74/279388374.db2.gz YBNSNECZBFBJTM-NEPJUHHUSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(F)ccc1[N+](=O)[O-] ZINC000376261135 279951878 /nfs/dbraw/zinc/95/18/78/279951878.db2.gz XKUVSIIVNOOAMQ-WCQYABFASA-N 1 0 293.342 2.797 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000294948149 280192807 /nfs/dbraw/zinc/19/28/07/280192807.db2.gz ILASBOMOHQIPTK-GXFFZTMASA-N 1 0 266.341 2.795 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000408378048 280398808 /nfs/dbraw/zinc/39/88/08/280398808.db2.gz SXCJVOAGJSIGNY-CYBMUJFWSA-N 1 0 292.383 2.527 20 5 CFBDRO CCCC[NH+](CCCC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511510 280569367 /nfs/dbraw/zinc/56/93/67/280569367.db2.gz CELGQSVBXVDVRR-UHFFFAOYSA-N 1 0 295.383 2.659 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000189716694 280879171 /nfs/dbraw/zinc/87/91/71/280879171.db2.gz VMWBLTGJKMAHPC-CQSZACIVSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000248594866 281027391 /nfs/dbraw/zinc/02/73/91/281027391.db2.gz SLOKOJIQEXQRKI-RDBSUJKOSA-N 1 0 294.399 2.842 20 5 CFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249749241 281065781 /nfs/dbraw/zinc/06/57/81/281065781.db2.gz FVYWDQNEVWPZEM-QJPTWQEYSA-N 1 0 293.367 2.549 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000252732060 281077556 /nfs/dbraw/zinc/07/75/56/281077556.db2.gz SVIDMJYMRBGSMR-UBHSHLNASA-N 1 0 278.352 2.857 20 5 CFBDRO COc1cncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296740941 281144469 /nfs/dbraw/zinc/14/44/69/281144469.db2.gz OUPKXRVZCAVJGE-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(C4CC4)CC3)nc2c1 ZINC000515762284 281297481 /nfs/dbraw/zinc/29/74/81/281297481.db2.gz ADYDSDWGSAZNLO-UHFFFAOYSA-N 1 0 272.308 2.503 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)C(C)C ZINC000519559326 281309135 /nfs/dbraw/zinc/30/91/35/281309135.db2.gz QGKCIGIUIQVWEB-MYWXAZLQSA-N 1 0 292.379 2.852 20 5 CFBDRO COc1cc(CN2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000526989378 281322273 /nfs/dbraw/zinc/32/22/73/281322273.db2.gz RVFJIKXWDAMVNV-AOOOYVTPSA-N 1 0 280.324 2.595 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000539065674 281565438 /nfs/dbraw/zinc/56/54/38/281565438.db2.gz UHMQXNHKEWPFNJ-VNHYZAJKSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1c(C[NH2+]C(C)(C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000546000527 281701331 /nfs/dbraw/zinc/70/13/31/281701331.db2.gz ILIBLVGJUKURIT-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000548859567 281804921 /nfs/dbraw/zinc/80/49/21/281804921.db2.gz YZHRFEMHOXZWQM-HNNXBMFYSA-N 1 0 290.363 2.952 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCCO1 ZINC000550699777 281828626 /nfs/dbraw/zinc/82/86/26/281828626.db2.gz MSBHTMCLLDMQNM-WFASDCNBSA-N 1 0 294.351 2.521 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159149140 289988341 /nfs/dbraw/zinc/98/83/41/289988341.db2.gz YXGZIGYDPVLCMD-NEPJUHHUSA-N 1 0 266.341 2.715 20 5 CFBDRO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563732576 290171804 /nfs/dbraw/zinc/17/18/04/290171804.db2.gz MNTYJYFEXRQMJQ-IUODEOHRSA-N 1 0 291.395 2.900 20 5 CFBDRO CC[NH+]1CCC(CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000563908719 290183028 /nfs/dbraw/zinc/18/30/28/290183028.db2.gz COQHYBPFKNZMJI-UHFFFAOYSA-N 1 0 292.383 2.750 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000565218185 290283169 /nfs/dbraw/zinc/28/31/69/290283169.db2.gz LWKDBVNLTKRFCG-JSGCOSHPSA-N 1 0 278.352 2.721 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCC1(O)CCC1 ZINC000565218494 290283958 /nfs/dbraw/zinc/28/39/58/290283958.db2.gz OLASVNIJNBYPBN-CQSZACIVSA-N 1 0 290.363 2.867 20 5 CFBDRO CSCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000069434135 525478859 /nfs/dbraw/zinc/47/88/59/525478859.db2.gz AZWKXJYHXQZUPI-UHFFFAOYSA-N 1 0 254.355 2.746 20 5 CFBDRO CCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000161923682 322358516 /nfs/dbraw/zinc/35/85/16/322358516.db2.gz ZFHDHMQOBKETAD-LLVKDONJSA-N 1 0 252.314 2.590 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](O)C(C)C ZINC000165422479 322384984 /nfs/dbraw/zinc/38/49/84/322384984.db2.gz FYHDJIZZLPKKAR-IUODEOHRSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H](C)O ZINC000570266928 322523000 /nfs/dbraw/zinc/52/30/00/322523000.db2.gz MXDBLCWVLSZIQO-NWDGAFQWSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1cnc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])nc1 ZINC000571536932 322587174 /nfs/dbraw/zinc/58/71/74/322587174.db2.gz WFOUPTFTDCEQNY-AWEZNQCLSA-N 1 0 298.346 2.513 20 5 CFBDRO Cn1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000574927128 322711943 /nfs/dbraw/zinc/71/19/43/322711943.db2.gz YEBYPURLRXABHW-AWEZNQCLSA-N 1 0 271.320 2.710 20 5 CFBDRO CCCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000184876436 323955076 /nfs/dbraw/zinc/95/50/76/323955076.db2.gz PUHGARUWHYCUSH-ZDUSSCGKSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000386963308 324484975 /nfs/dbraw/zinc/48/49/75/324484975.db2.gz ZMIJVNOSMSFVAW-BPNCWPANSA-N 1 0 266.341 2.795 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025692 324809131 /nfs/dbraw/zinc/80/91/31/324809131.db2.gz AQENYZMILNCEQX-ZIAGYGMSSA-N 1 0 278.352 2.579 20 5 CFBDRO CC[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000579614082 324967129 /nfs/dbraw/zinc/96/71/29/324967129.db2.gz PDTOVMXQOQDQOA-ZWNOBZJWSA-N 1 0 264.325 2.597 20 5 CFBDRO Cc1c[nH+]ccc1NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579636754 324967559 /nfs/dbraw/zinc/96/75/59/324967559.db2.gz ZOLVOQJPMFLPGH-UHFFFAOYSA-N 1 0 296.330 2.856 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000580302291 325023467 /nfs/dbraw/zinc/02/34/67/325023467.db2.gz WZFIZEQVEJAJPF-UONOGXRCSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000580302287 325023584 /nfs/dbraw/zinc/02/35/84/325023584.db2.gz WZFIZEQVEJAJPF-KBPBESRZSA-N 1 0 289.379 2.729 20 5 CFBDRO Cc1c(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000580511695 325041591 /nfs/dbraw/zinc/04/15/91/325041591.db2.gz XMWAEHUVDRVKHB-LSDHHAIUSA-N 1 0 289.379 2.572 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000581262290 325105957 /nfs/dbraw/zinc/10/59/57/325105957.db2.gz WKKUANDFNLLXFY-UHFFFAOYSA-N 1 0 291.351 2.642 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000581475814 325124944 /nfs/dbraw/zinc/12/49/44/325124944.db2.gz JUWTZROOVKOLEH-DFBGVHRSSA-N 1 0 278.352 2.998 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1c(OC)cccc1[N+](=O)[O-] ZINC000581736061 325147365 /nfs/dbraw/zinc/14/73/65/325147365.db2.gz JYPDPGGGQBKJMG-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO COCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581894529 325157488 /nfs/dbraw/zinc/15/74/88/325157488.db2.gz WBYITSIJHILKHU-CYBMUJFWSA-N 1 0 264.325 2.598 20 5 CFBDRO Cn1ncc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc21 ZINC000582096407 325176013 /nfs/dbraw/zinc/17/60/13/325176013.db2.gz OPAADDQASISYNH-UHFFFAOYSA-N 1 0 296.330 2.771 20 5 CFBDRO CN(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735762 325230541 /nfs/dbraw/zinc/23/05/41/325230541.db2.gz NNVICQPJCWUOPI-GOEBONIOSA-N 1 0 289.379 2.512 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000583184751 325266742 /nfs/dbraw/zinc/26/67/42/325266742.db2.gz RIBKSNZTKJWELS-DABQJJPHSA-N 1 0 278.352 2.683 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000584083533 325329061 /nfs/dbraw/zinc/32/90/61/325329061.db2.gz WUDCBENPJUBPEF-IJLUTSLNSA-N 1 0 266.341 2.977 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413075461 533834581 /nfs/dbraw/zinc/83/45/81/533834581.db2.gz RXPJCAWYAYMJBP-QWRGUYRKSA-N 1 0 296.346 2.661 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413093441 533894256 /nfs/dbraw/zinc/89/42/56/533894256.db2.gz JDKBKAWYLWFXBI-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000157953850 518935535 /nfs/dbraw/zinc/93/55/35/518935535.db2.gz UPXOEQOIJORTOR-KGLIPLIRSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000230936660 519337127 /nfs/dbraw/zinc/33/71/27/519337127.db2.gz ATOXTMVRRAMYAQ-UHFFFAOYSA-N 1 0 286.759 2.887 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054111048 519625650 /nfs/dbraw/zinc/62/56/50/519625650.db2.gz JIXURDSLGGLFLO-LBPRGKRZSA-N 1 0 265.357 2.586 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000312331080 519629582 /nfs/dbraw/zinc/62/95/82/519629582.db2.gz HQDMPXMULBOLAO-QWHCGFSZSA-N 1 0 279.384 2.974 20 5 CFBDRO CC(C)CCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000049265822 519669048 /nfs/dbraw/zinc/66/90/48/519669048.db2.gz YLRNCQOHOSHOCB-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CC(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000062732043 519747169 /nfs/dbraw/zinc/74/71/69/519747169.db2.gz DMLCZIAOPPQWSA-UHFFFAOYSA-N 1 0 274.267 2.942 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000236648246 519836279 /nfs/dbraw/zinc/83/62/79/519836279.db2.gz ULTSJBSNDGCPOQ-UHFFFAOYSA-N 1 0 278.352 2.723 20 5 CFBDRO CCOCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443248 519897422 /nfs/dbraw/zinc/89/74/22/519897422.db2.gz MNEGWTCOPFGTBM-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361239646 520292707 /nfs/dbraw/zinc/29/27/07/520292707.db2.gz WSDQYZKQGFCVFH-BRLPQQTGSA-N 1 0 276.336 2.719 20 5 CFBDRO CCOc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337214043 520730957 /nfs/dbraw/zinc/73/09/57/520730957.db2.gz DSANNPAJPZGLPM-YPMHNXCESA-N 1 0 294.351 2.508 20 5 CFBDRO CC1CCC(O)(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000174724907 520954446 /nfs/dbraw/zinc/95/44/46/520954446.db2.gz JPUVZGDAOMYCOY-UHFFFAOYSA-N 1 0 292.379 2.968 20 5 CFBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000223249798 521610035 /nfs/dbraw/zinc/61/00/35/521610035.db2.gz YIZBAJNQKRCQEN-UHFFFAOYSA-N 1 0 286.763 2.787 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000357772203 521613865 /nfs/dbraw/zinc/61/38/65/521613865.db2.gz AAZVUYONCUSIFK-VIFPVBQESA-N 1 0 272.374 2.584 20 5 CFBDRO CCC[NH+](CCC)CCCNc1nccc(C)c1[N+](=O)[O-] ZINC000360277831 521644708 /nfs/dbraw/zinc/64/47/08/521644708.db2.gz FLLVJMGZJKHEFY-UHFFFAOYSA-N 1 0 294.399 2.644 20 5 CFBDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443490 521710956 /nfs/dbraw/zinc/71/09/56/521710956.db2.gz YIYOFUWJNGEFBP-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245439900 521720377 /nfs/dbraw/zinc/72/03/77/521720377.db2.gz TXXQCUNHTCPDPG-ZFWWWQNUSA-N 1 0 291.395 2.757 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425964 521720587 /nfs/dbraw/zinc/72/05/87/521720587.db2.gz LAGADGYPMJXLDN-BBRMVZONSA-N 1 0 291.395 2.757 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353133094 522490498 /nfs/dbraw/zinc/49/04/98/522490498.db2.gz DNHBNGFMELDPPS-ONGXEEELSA-N 1 0 280.324 2.500 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311331654 522516736 /nfs/dbraw/zinc/51/67/36/522516736.db2.gz ADVKORLQUTXLIU-LLVKDONJSA-N 1 0 266.341 2.540 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045657203 522581335 /nfs/dbraw/zinc/58/13/35/522581335.db2.gz CHYWIGIRCZKKML-MNOVXSKESA-N 1 0 252.314 2.528 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000230898236 522602780 /nfs/dbraw/zinc/60/27/80/522602780.db2.gz BKIDQEMCVVHEKO-HNNXBMFYSA-N 1 0 288.351 2.612 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576409 522689570 /nfs/dbraw/zinc/68/95/70/522689570.db2.gz FXOVZXBZHRHKNK-FZMZJTMJSA-N 1 0 265.357 2.586 20 5 CFBDRO CC[C@H]([NH2+][C@H](CCOC)COC)c1cccc([N+](=O)[O-])c1 ZINC000314374254 522747522 /nfs/dbraw/zinc/74/75/22/522747522.db2.gz QBYJYKCTMSGLSY-HIFRSBDPSA-N 1 0 296.367 2.687 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1CCCC1 ZINC000191297564 523391545 /nfs/dbraw/zinc/39/15/45/523391545.db2.gz XXYRZXJGRAVZHC-OAHLLOKOSA-N 1 0 292.379 2.968 20 5 CFBDRO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076073140 523444557 /nfs/dbraw/zinc/44/45/57/523444557.db2.gz XEVSQHAXJLWSCT-CQSZACIVSA-N 1 0 296.392 2.801 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000070360834 523545773 /nfs/dbraw/zinc/54/57/73/523545773.db2.gz KWTCPZCACICVCQ-QWHCGFSZSA-N 1 0 264.325 2.642 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000227828787 523759290 /nfs/dbraw/zinc/75/92/90/523759290.db2.gz CFXOJZYBTHRACR-NXEZZACHSA-N 1 0 270.354 2.559 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443958 523814779 /nfs/dbraw/zinc/81/47/79/523814779.db2.gz DOCXEKCACCHTME-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366083157 523852455 /nfs/dbraw/zinc/85/24/55/523852455.db2.gz JPDBVAIODSKWIH-STQMWFEESA-N 1 0 293.342 2.797 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000300663699 524014955 /nfs/dbraw/zinc/01/49/55/524014955.db2.gz ZCPWYRORSBBUHI-KGLIPLIRSA-N 1 0 278.352 2.806 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1O ZINC000305150250 524251588 /nfs/dbraw/zinc/25/15/88/524251588.db2.gz TVFSXQDSCMTPCV-IVMMDQJWSA-N 1 0 292.379 2.809 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)C ZINC000339251452 524272347 /nfs/dbraw/zinc/27/23/47/524272347.db2.gz AGABYXLCLWSEIK-NSHDSACASA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000189990516 524599741 /nfs/dbraw/zinc/59/97/41/524599741.db2.gz JSHCLDXXLWBXEY-UONOGXRCSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000221350398 524602777 /nfs/dbraw/zinc/60/27/77/524602777.db2.gz NHZYXEVNUJHQEK-AWEZNQCLSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC000158664261 524906351 /nfs/dbraw/zinc/90/63/51/524906351.db2.gz KXMUCRCKUZCOPC-UHFFFAOYSA-N 1 0 263.341 2.657 20 5 CFBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000158237955 524927442 /nfs/dbraw/zinc/92/74/42/524927442.db2.gz KBDCWSIVRVCAAZ-CMPLNLGQSA-N 1 0 297.786 2.821 20 5 CFBDRO Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000050940549 525032041 /nfs/dbraw/zinc/03/20/41/525032041.db2.gz LHHAWAZKJIQZDA-UHFFFAOYSA-N 1 0 291.351 2.622 20 5 CFBDRO Cc1cc(NC2(C[NH+](C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000360085136 525264473 /nfs/dbraw/zinc/26/44/73/525264473.db2.gz VRSODARZFOXJFS-UHFFFAOYSA-N 1 0 281.331 2.939 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156164504 525273766 /nfs/dbraw/zinc/27/37/66/525273766.db2.gz DXMRZNYNFLWFHH-ZJUUUORDSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@H]([NH2+]Cc1cccn1C)c1cccc([N+](=O)[O-])c1 ZINC000050595958 525466074 /nfs/dbraw/zinc/46/60/74/525466074.db2.gz CPGLAQHMULOCRO-NSHDSACASA-N 1 0 259.309 2.784 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000359013994 525569809 /nfs/dbraw/zinc/56/98/09/525569809.db2.gz KIKLJJAACSSMRS-AWEZNQCLSA-N 1 0 295.408 2.752 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000300415062 525626960 /nfs/dbraw/zinc/62/69/60/525626960.db2.gz RQKHKTPWAKGNOU-LKTVYLICSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173430295 525650899 /nfs/dbraw/zinc/65/08/99/525650899.db2.gz AOBIKSRCBBWLSE-ZWNOBZJWSA-N 1 0 286.335 2.526 20 5 CFBDRO Cc1ccnc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000360263319 525693797 /nfs/dbraw/zinc/69/37/97/525693797.db2.gz BAQQHNFLWLSTMI-OLZOCXBDSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000310707931 525730239 /nfs/dbraw/zinc/73/02/39/525730239.db2.gz DYPVEXKOOIWNNJ-CABZTGNLSA-N 1 0 266.366 2.744 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000361396188 525732143 /nfs/dbraw/zinc/73/21/43/525732143.db2.gz FFCRWLBCOOBHAF-IUODEOHRSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000155985790 526248859 /nfs/dbraw/zinc/24/88/59/526248859.db2.gz FPGJVINMTXGMAS-NEPJUHHUSA-N 1 0 291.351 2.559 20 5 CFBDRO CC(C)(CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192916917 527056199 /nfs/dbraw/zinc/05/61/99/527056199.db2.gz VFOSQWHDIHFTNO-HNNXBMFYSA-N 1 0 292.379 2.970 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCS2)cs1 ZINC000087473160 527330792 /nfs/dbraw/zinc/33/07/92/527330792.db2.gz JENYMKKETBNSHJ-VIFPVBQESA-N 1 0 258.368 2.642 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1Cl ZINC000230315379 527331304 /nfs/dbraw/zinc/33/13/04/527331304.db2.gz BMCNOLWYTTWEAO-OCCSQVGLSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000050443577 527332084 /nfs/dbraw/zinc/33/20/84/527332084.db2.gz WYQOCAXZRABTPK-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000158277222 527351355 /nfs/dbraw/zinc/35/13/55/527351355.db2.gz GQPUTDQCWRXPTQ-ZDUSSCGKSA-N 1 0 266.366 2.970 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000364990539 527352495 /nfs/dbraw/zinc/35/24/95/527352495.db2.gz JAUAUWBVWLWGQP-GUYCJALGSA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000364990538 527352825 /nfs/dbraw/zinc/35/28/25/527352825.db2.gz JAUAUWBVWLWGQP-DYVFJYSZSA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1ccncc1)CC2 ZINC000360455528 527378662 /nfs/dbraw/zinc/37/86/62/527378662.db2.gz OHWDXQCYCYPVPT-UHFFFAOYSA-N 1 0 297.358 2.981 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000246297277 527393803 /nfs/dbraw/zinc/39/38/03/527393803.db2.gz PKWAUEJNXGRJNX-JKSUJKDBSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]CC12CCCCC2 ZINC000088395585 527401624 /nfs/dbraw/zinc/40/16/24/527401624.db2.gz OLGWOOYJIWFXCV-UHFFFAOYSA-N 1 0 289.379 2.703 20 5 CFBDRO COC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452097013 536523626 /nfs/dbraw/zinc/52/36/26/536523626.db2.gz YRLIAZPGWUWIIS-HNNXBMFYSA-N 1 0 292.379 2.886 20 5 CFBDRO CC1CC[NH+](CCN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000178004904 528241842 /nfs/dbraw/zinc/24/18/42/528241842.db2.gz WVMSTOSTNYXDGY-UHFFFAOYSA-N 1 0 291.395 2.759 20 5 CFBDRO CC[NH2+]CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414820688 528329529 /nfs/dbraw/zinc/32/95/29/528329529.db2.gz CPUSTJCOWOLAEW-UHFFFAOYSA-N 1 0 289.335 2.554 20 5 CFBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000413034310 528330432 /nfs/dbraw/zinc/33/04/32/528330432.db2.gz ASYRHJWZKDTKFX-JTQLQIEISA-N 1 0 284.335 2.517 20 5 CFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414661293 528652724 /nfs/dbraw/zinc/65/27/24/528652724.db2.gz PKJRFAOUBUBMLF-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CCCC[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1C ZINC000414815338 528818987 /nfs/dbraw/zinc/81/89/87/528818987.db2.gz PDALZFNPUDWSRA-ZDUSSCGKSA-N 1 0 265.357 2.510 20 5 CFBDRO CC[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000422090423 529231948 /nfs/dbraw/zinc/23/19/48/529231948.db2.gz VMXSHQAWSIJZOI-LLVKDONJSA-N 1 0 290.319 2.715 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642137 535493585 /nfs/dbraw/zinc/49/35/85/535493585.db2.gz QYIYKZGQKVVLLH-SNVBAGLBSA-N 1 0 276.340 2.949 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000452010198 535752441 /nfs/dbraw/zinc/75/24/41/535752441.db2.gz BZYVWXBXYUCMLG-HUUCEWRRSA-N 1 0 294.351 2.521 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000452021131 535755529 /nfs/dbraw/zinc/75/55/29/535755529.db2.gz OBYPJQFDINIRIJ-UKRRQHHQSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@H]([NH2+]CCC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000432412131 535900488 /nfs/dbraw/zinc/90/04/88/535900488.db2.gz ANGPNMWTTQYHNI-KWCHVYNWSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449643759 536007702 /nfs/dbraw/zinc/00/77/02/536007702.db2.gz ZHXLLBOPDWRQPV-VYPOOZAYSA-N 1 0 278.352 2.747 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000449172854 536799998 /nfs/dbraw/zinc/79/99/98/536799998.db2.gz MQPZBCYWPHNPNP-NILFDRSVSA-N 1 0 292.379 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000731678417 574126957 /nfs/dbraw/zinc/12/69/57/574126957.db2.gz MAKURTXBFHHMBZ-IMXKFXGHSA-N 1 0 298.342 2.931 20 5 CFBDRO C[C@@H]([NH2+]CCOc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000746047685 574132307 /nfs/dbraw/zinc/13/23/07/574132307.db2.gz PIXJALHANBUETO-GFCCVEGCSA-N 1 0 287.319 2.719 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000733329611 574222493 /nfs/dbraw/zinc/22/24/93/574222493.db2.gz HRGBTOZPWHUNIW-LLVKDONJSA-N 1 0 292.257 2.570 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(F)cc2)c1 ZINC000749646896 574304144 /nfs/dbraw/zinc/30/41/44/574304144.db2.gz NDJNZJPFPBPXCE-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO Cc1nn(C[N@@H+](C)CC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749954272 574317856 /nfs/dbraw/zinc/31/78/56/574317856.db2.gz JBYDFLOXUMQBDL-UHFFFAOYSA-N 1 0 291.355 2.583 20 5 CFBDRO CC[N@H+](CCNc1cc(OC)cc(F)c1[N+](=O)[O-])C1CC1 ZINC000751224820 574372455 /nfs/dbraw/zinc/37/24/55/574372455.db2.gz LGSKMQIYGIFANK-UHFFFAOYSA-N 1 0 297.330 2.639 20 5 CFBDRO C[C@H]1C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000752076115 574387536 /nfs/dbraw/zinc/38/75/36/574387536.db2.gz NXAODWOARRKHNV-UWVGGRQHSA-N 1 0 252.289 2.822 20 5 CFBDRO CC(C)[C@](C)(C[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843355035 617879319 /nfs/dbraw/zinc/87/93/19/617879319.db2.gz APIPMAIXWLQGNV-ZDUSSCGKSA-N 1 0 285.775 2.711 20 5 CFBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000804809292 617891578 /nfs/dbraw/zinc/89/15/78/617891578.db2.gz WGPYRSMGSLLEDY-UHFFFAOYSA-N 1 0 277.368 2.907 20 5 CFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892068630 617935420 /nfs/dbraw/zinc/93/54/20/617935420.db2.gz REMRCBVYBFDXRQ-ZYHUDNBSSA-N 1 0 294.351 2.929 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892221835 618010404 /nfs/dbraw/zinc/01/04/04/618010404.db2.gz HDBZOIBICIGWNO-JTQLQIEISA-N 1 0 280.324 2.541 20 5 CFBDRO C[C@@H](CNc1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000235145642 618130384 /nfs/dbraw/zinc/13/03/84/618130384.db2.gz HDJZNJXLRASNPY-ZETCQYMHSA-N 1 0 275.711 2.749 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000177874048 618146642 /nfs/dbraw/zinc/14/66/42/618146642.db2.gz WMZKNBSRYNTKOP-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000219235221 618176164 /nfs/dbraw/zinc/17/61/64/618176164.db2.gz JYKQSUUPYDPFJV-YNEHKIRRSA-N 1 0 277.368 2.728 20 5 CFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000178965747 618274515 /nfs/dbraw/zinc/27/45/15/618274515.db2.gz HKBWBOGOIKYDSM-LLVKDONJSA-N 1 0 270.329 2.671 20 5 CFBDRO CC[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000053294462 618296622 /nfs/dbraw/zinc/29/66/22/618296622.db2.gz BROBNRMQKNEHTI-UHFFFAOYSA-N 1 0 263.322 2.828 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000895126434 618341256 /nfs/dbraw/zinc/34/12/56/618341256.db2.gz XACUJCHNIYDNHT-ZMLRMANQSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351052 618376261 /nfs/dbraw/zinc/37/62/61/618376261.db2.gz RROUQRDLOSBSDY-RISCZKNCSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cc(C2CC[NH2+]CC2)on1 ZINC000901395959 620804692 /nfs/dbraw/zinc/80/46/92/620804692.db2.gz NXXYKBHLXHAOAV-UHFFFAOYSA-N 1 0 273.292 2.717 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CSC1 ZINC000877634579 618451745 /nfs/dbraw/zinc/45/17/45/618451745.db2.gz MVDOLYCXYGSRMC-SNVBAGLBSA-N 1 0 266.366 2.621 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1c(F)cc([N+](=O)[O-])cc1F ZINC000895193619 618460352 /nfs/dbraw/zinc/46/03/52/618460352.db2.gz ZAAQSRXLMQJIFI-VHSXEESVSA-N 1 0 297.305 2.546 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(C)=NO1 ZINC000895303371 618523868 /nfs/dbraw/zinc/52/38/68/618523868.db2.gz GDHUIDRGPJLDAM-UJNBGNEJSA-N 1 0 289.335 2.753 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2=CCCC2)c1[N+](=O)[O-] ZINC000895434984 618581330 /nfs/dbraw/zinc/58/13/30/618581330.db2.gz DFNFYJBGUQJJJT-UHFFFAOYSA-N 1 0 278.308 2.509 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCCCCO ZINC000236497081 618626619 /nfs/dbraw/zinc/62/66/19/618626619.db2.gz SMVAJKJRZOSBKN-UHFFFAOYSA-N 1 0 286.759 2.891 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000840882652 618642215 /nfs/dbraw/zinc/64/22/15/618642215.db2.gz QNGYDPJYWGGCPK-XEGUGMAKSA-N 1 0 295.383 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCC2)cc1Cl ZINC000783667944 618720534 /nfs/dbraw/zinc/72/05/34/618720534.db2.gz VGRIVFJYGDCEAV-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000312004910 618853543 /nfs/dbraw/zinc/85/35/43/618853543.db2.gz SGPVDWJIFJTPNJ-JTQLQIEISA-N 1 0 286.759 2.841 20 5 CFBDRO CSCC[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592323 618932814 /nfs/dbraw/zinc/93/28/14/618932814.db2.gz KXOYGHNWZRIJBY-SMDDNHRTSA-N 1 0 298.408 2.702 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633642 619041607 /nfs/dbraw/zinc/04/16/07/619041607.db2.gz SCWZVRYASIJFEQ-GWCFXTLKSA-N 1 0 297.786 2.950 20 5 CFBDRO C[NH2+]CC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633639 619280616 /nfs/dbraw/zinc/28/06/16/619280616.db2.gz CZVUGFPIFZRUEV-UHFFFAOYSA-N 1 0 297.786 2.680 20 5 CFBDRO Cc1cc(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])s1 ZINC000894803451 619469827 /nfs/dbraw/zinc/46/98/27/619469827.db2.gz YWSBIBSPIZDNBE-OKILXGFUSA-N 1 0 295.408 2.743 20 5 CFBDRO CC1(C)C[C@]1(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895535530 619549833 /nfs/dbraw/zinc/54/98/33/619549833.db2.gz VDFHTLXGACTMPK-QIMFLAQGSA-N 1 0 278.356 2.521 20 5 CFBDRO C[C@@H]1[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895738088 619597981 /nfs/dbraw/zinc/59/79/81/619597981.db2.gz SWVADRWOLMYHLN-QMTHXVAHSA-N 1 0 286.335 2.648 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CC2CCC2)c1[N+](=O)[O-] ZINC000895778431 619605408 /nfs/dbraw/zinc/60/54/08/619605408.db2.gz YABVSNMQBGAMNB-JTQLQIEISA-N 1 0 294.351 2.977 20 5 CFBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896913918 619884162 /nfs/dbraw/zinc/88/41/62/619884162.db2.gz YNHOQJJNUYVUSH-YGRLFVJLSA-N 1 0 295.770 2.636 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000925230826 620053213 /nfs/dbraw/zinc/05/32/13/620053213.db2.gz PSZRZIHVVCNHET-GWCFXTLKSA-N 1 0 289.339 2.525 20 5 CFBDRO C[C@H](C[NH2+]C[C@@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000897464367 620176585 /nfs/dbraw/zinc/17/65/85/620176585.db2.gz LWFHMYKKJQOPKI-OLZOCXBDSA-N 1 0 276.336 2.981 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465240 620177071 /nfs/dbraw/zinc/17/70/71/620177071.db2.gz UJXWQNOCMNTZFG-SFTQSGBHSA-N 1 0 278.352 2.854 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000897465424 620177198 /nfs/dbraw/zinc/17/71/98/620177198.db2.gz VXQMUKSYTXKRLQ-SMDDNHRTSA-N 1 0 278.352 2.713 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c([N+](=O)[O-])cc1O ZINC000897953951 620310440 /nfs/dbraw/zinc/31/04/40/620310440.db2.gz VTSAUXJVFKKZEE-ZMLRMANQSA-N 1 0 292.335 2.587 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn(C)cn1 ZINC000898043110 620328253 /nfs/dbraw/zinc/32/82/53/620328253.db2.gz FBDJLUSAQRLAGS-SDQBBNPISA-N 1 0 286.335 2.521 20 5 CFBDRO Cc1ncccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000898256945 620365362 /nfs/dbraw/zinc/36/53/62/620365362.db2.gz KAYUQGDFCPANLH-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO C[C@H](NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000899270996 620539122 /nfs/dbraw/zinc/53/91/22/620539122.db2.gz RSUMXSSLXQRENC-QMMMGPOBSA-N 1 0 296.758 2.661 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000900021605 620624312 /nfs/dbraw/zinc/62/43/12/620624312.db2.gz JWFVFTFIYQWFGL-NSHDSACASA-N 1 0 291.351 2.690 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000901519235 620854713 /nfs/dbraw/zinc/85/47/13/620854713.db2.gz BXFCULYKXFRFHH-GFCCVEGCSA-N 1 0 295.314 2.545 20 5 CFBDRO CNc1ccccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000902422208 621073373 /nfs/dbraw/zinc/07/33/73/621073373.db2.gz DMOVETRSEFHWKY-UHFFFAOYSA-N 1 0 285.347 2.969 20 5 CFBDRO C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902432731 621078492 /nfs/dbraw/zinc/07/84/92/621078492.db2.gz XAMDMSRMMSPFIP-YDHLFZDLSA-N 1 0 291.395 2.819 20 5 CFBDRO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000902443148 621081553 /nfs/dbraw/zinc/08/15/53/621081553.db2.gz KETUDXKNGMLGHA-SSKCKEOISA-N 1 0 297.358 2.870 20 5 CFBDRO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902445956 621083882 /nfs/dbraw/zinc/08/38/82/621083882.db2.gz RCHWTONJGAHUOE-SSKCKEOISA-N 1 0 297.358 2.870 20 5 CFBDRO CC[C@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902445999 621083892 /nfs/dbraw/zinc/08/38/92/621083892.db2.gz NQWVGWGAUSRYFX-KBPBESRZSA-N 1 0 277.368 2.634 20 5 CFBDRO CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902447516 621089682 /nfs/dbraw/zinc/08/96/82/621089682.db2.gz YVFWFXCMEFUFLE-CABCVRRESA-N 1 0 289.379 2.560 20 5 CFBDRO CC[NH+](CC)CCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056818 621236029 /nfs/dbraw/zinc/23/60/29/621236029.db2.gz YPNYULLDAKTLAT-LBPRGKRZSA-N 1 0 295.383 2.596 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903080259 621245438 /nfs/dbraw/zinc/24/54/38/621245438.db2.gz PWKZQXXUTVIYPN-JFGNBEQYSA-N 1 0 264.325 2.910 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903088646 621248352 /nfs/dbraw/zinc/24/83/52/621248352.db2.gz KTTQRORMSLSNEJ-WDEREUQCSA-N 1 0 282.340 2.679 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903099013 621252268 /nfs/dbraw/zinc/25/22/68/621252268.db2.gz XDWCRHLZTHBPAQ-CMPLNLGQSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)cc([N+](=O)[O-])c1 ZINC000903096272 621259101 /nfs/dbraw/zinc/25/91/01/621259101.db2.gz BNNHEGVCDOXWEA-IAQYHMDHSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903147096 621268461 /nfs/dbraw/zinc/26/84/61/621268461.db2.gz FCNNAZFHNDORLE-VXGBXAGGSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157214 621269980 /nfs/dbraw/zinc/26/99/80/621269980.db2.gz ATHINVIRXWMQNO-DCAQKATOSA-N 1 0 282.340 2.677 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCOC(C)C)cc([N+](=O)[O-])c1 ZINC000903151207 621273527 /nfs/dbraw/zinc/27/35/27/621273527.db2.gz DKOOCWPEBUXLGB-NSHDSACASA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903177371 621275146 /nfs/dbraw/zinc/27/51/46/621275146.db2.gz LXZWSPBEIFJANI-BONVTDFDSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCCCO)cc([N+](=O)[O-])c1 ZINC000903180206 621276813 /nfs/dbraw/zinc/27/68/13/621276813.db2.gz XKJYLBCZSSJARO-NWDGAFQWSA-N 1 0 296.367 2.805 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903198790 621282802 /nfs/dbraw/zinc/28/28/02/621282802.db2.gz GISHQYRUKUSEKJ-IXPVHAAZSA-N 1 0 294.351 2.822 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903186731 621285253 /nfs/dbraw/zinc/28/52/53/621285253.db2.gz SVGUMEJWPDBOHN-NWDGAFQWSA-N 1 0 296.367 2.927 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)C(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC000903246152 621295939 /nfs/dbraw/zinc/29/59/39/621295939.db2.gz RMNGKGOPAADNRK-NWDGAFQWSA-N 1 0 280.368 2.695 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1ccnnc1)c1ccccc1[N+](=O)[O-] ZINC000903245307 621296560 /nfs/dbraw/zinc/29/65/60/621296560.db2.gz DKHUZDGDDIJJET-RYUDHWBXSA-N 1 0 286.335 2.839 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903228266 621296919 /nfs/dbraw/zinc/29/69/19/621296919.db2.gz SWQRTRFNMVSVMQ-BXUZGUMPSA-N 1 0 296.367 2.805 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903331840 621341725 /nfs/dbraw/zinc/34/17/25/621341725.db2.gz OEZXELIVPPSLAZ-GWCFXTLKSA-N 1 0 278.352 2.985 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000903395149 621352981 /nfs/dbraw/zinc/35/29/81/621352981.db2.gz JJXTWBXMHJHNEQ-CDMKHQONSA-N 1 0 264.325 2.589 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000903405905 621361429 /nfs/dbraw/zinc/36/14/29/621361429.db2.gz FXQBMQRKYQJHLQ-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000903438650 621375468 /nfs/dbraw/zinc/37/54/68/621375468.db2.gz WJNUTJPKQZKIAW-GLQYFDAESA-N 1 0 290.363 2.979 20 5 CFBDRO C[NH2+]C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903528619 621395775 /nfs/dbraw/zinc/39/57/75/621395775.db2.gz RMGIBZCTVVIRDX-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000903844019 621455026 /nfs/dbraw/zinc/45/50/26/621455026.db2.gz ZMNSJFZYPRSMIZ-XDTLVQLUSA-N 1 0 295.770 2.560 20 5 CFBDRO CC(C)C[C@@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988856 621500191 /nfs/dbraw/zinc/50/01/91/621500191.db2.gz ZABBLVJUZZZYHR-WCQYABFASA-N 1 0 265.357 2.619 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000904603527 621615043 /nfs/dbraw/zinc/61/50/43/621615043.db2.gz HVBZCHFVSDDLOB-CQSZACIVSA-N 1 0 288.307 2.552 20 5 CFBDRO CN(c1ccc(C[NH2+]CC[N+](=O)[O-])cc1)C1CCCCC1 ZINC000905065866 621696092 /nfs/dbraw/zinc/69/60/92/621696092.db2.gz MHRCZRHYBBKIMG-UHFFFAOYSA-N 1 0 291.395 2.822 20 5 CFBDRO COc1ccc(-c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)cc1 ZINC000905135050 621708371 /nfs/dbraw/zinc/70/83/71/621708371.db2.gz IWFYRGMDTAAXDZ-UHFFFAOYSA-N 1 0 286.331 2.729 20 5 CFBDRO COc1ccc(-c2ccc(C[NH2+]CC[N+](=O)[O-])s2)cc1 ZINC000905148898 621711026 /nfs/dbraw/zinc/71/10/26/621711026.db2.gz XCGMIZGHAXKRPW-UHFFFAOYSA-N 1 0 292.360 2.790 20 5 CFBDRO C=C/C=C/CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905416641 621763880 /nfs/dbraw/zinc/76/38/80/621763880.db2.gz BVPXELOGFIAAEO-ONEGZZNKSA-N 1 0 289.335 2.645 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCC=CCC2)c1 ZINC000905491721 621785342 /nfs/dbraw/zinc/78/53/42/621785342.db2.gz IPYUGUIUMVQKCC-OAHLLOKOSA-N 1 0 276.336 2.717 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC3(CC3)C2)c1 ZINC000905663696 621811993 /nfs/dbraw/zinc/81/19/93/621811993.db2.gz OTTJGQMACNSTKC-HIFRSBDPSA-N 1 0 290.363 2.941 20 5 CFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905854994 621889820 /nfs/dbraw/zinc/88/98/20/621889820.db2.gz YURXYTXIIAETNW-NEPJUHHUSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1ccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)cc1[N+](=O)[O-] ZINC000906171644 621943537 /nfs/dbraw/zinc/94/35/37/621943537.db2.gz CBBSLHKPPYZLPH-ZDUSSCGKSA-N 1 0 298.346 2.827 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnc([C@H]2CCC[NH2+]2)nc1 ZINC000906172429 621943902 /nfs/dbraw/zinc/94/39/02/621943902.db2.gz JRWWQGVXNXDETR-GFCCVEGCSA-N 1 0 288.282 2.615 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1-c1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC000906172431 621944028 /nfs/dbraw/zinc/94/40/28/621944028.db2.gz JRWWQGVXNXDETR-LBPRGKRZSA-N 1 0 288.282 2.615 20 5 CFBDRO Cc1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822723168 623161163 /nfs/dbraw/zinc/16/11/63/623161163.db2.gz SHSZSGLCGFXYNB-NSHDSACASA-N 1 0 288.307 2.768 20 5 CFBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230697857 623292595 /nfs/dbraw/zinc/29/25/95/623292595.db2.gz LDDBNZXIWYQHOY-YPMHNXCESA-N 1 0 266.366 2.969 20 5 CFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635572 623536637 /nfs/dbraw/zinc/53/66/37/623536637.db2.gz IGBQLNBTBVFSOH-YPMHNXCESA-N 1 0 298.770 2.841 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000916473322 624248560 /nfs/dbraw/zinc/24/85/60/624248560.db2.gz CFVDYBQSRWNEBS-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO CC1CCC([N@H+](Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000917436777 624341591 /nfs/dbraw/zinc/34/15/91/624341591.db2.gz FHJKGMGZDRROCK-UHFFFAOYSA-N 1 0 278.356 2.792 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000829572226 624457073 /nfs/dbraw/zinc/45/70/73/624457073.db2.gz HLTOUXWCRWTIGU-AWEZNQCLSA-N 1 0 263.341 2.514 20 5 CFBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000181085603 625062923 /nfs/dbraw/zinc/06/29/23/625062923.db2.gz UVPIUIGIAVKQSL-UHFFFAOYSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085987364 626221236 /nfs/dbraw/zinc/22/12/36/626221236.db2.gz WILQMFJHVAEEJZ-RISCZKNCSA-N 1 0 298.770 2.889 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000922556856 626311033 /nfs/dbraw/zinc/31/10/33/626311033.db2.gz GQLUBMAIAMQKEO-UMBJVVCDSA-N 1 0 289.379 2.680 20 5 CFBDRO COc1cc(C[NH2+]CCC2CC=CC2)c([N+](=O)[O-])cc1O ZINC000922733381 626355555 /nfs/dbraw/zinc/35/55/55/626355555.db2.gz ORXKLSOOZCKOED-UHFFFAOYSA-N 1 0 292.335 2.755 20 5 CFBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCO1 ZINC000922816759 626372301 /nfs/dbraw/zinc/37/23/01/626372301.db2.gz KWXMJHPDGBBNPR-GFCCVEGCSA-N 1 0 270.354 2.705 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000922836006 626376236 /nfs/dbraw/zinc/37/62/36/626376236.db2.gz JZNJWHJUSIEFGL-JQWIXIFHSA-N 1 0 296.392 2.977 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000922843663 626378599 /nfs/dbraw/zinc/37/85/99/626378599.db2.gz UQMIBTVHGUHEJP-ZYHUDNBSSA-N 1 0 266.366 2.969 20 5 CFBDRO O=[N+]([O-])CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000929365698 626453969 /nfs/dbraw/zinc/45/39/69/626453969.db2.gz PHJFFNNFVPSWRO-UHFFFAOYSA-N 1 0 273.336 2.624 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534429 626479003 /nfs/dbraw/zinc/47/90/03/626479003.db2.gz OMQYQWMYHJSOBK-CZUORRHYSA-N 1 0 289.379 2.874 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000749320264 626540636 /nfs/dbraw/zinc/54/06/36/626540636.db2.gz KFKRMKPNWFZVRU-SNVBAGLBSA-N 1 0 299.321 2.840 20 5 CFBDRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839659019 626549851 /nfs/dbraw/zinc/54/98/51/626549851.db2.gz UQUOHEVZJOFJQX-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000759838030 626695151 /nfs/dbraw/zinc/69/51/51/626695151.db2.gz VFJNTCTYVWONCY-OCCSQVGLSA-N 1 0 278.352 2.808 20 5 CFBDRO CC(C)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000760933716 626785675 /nfs/dbraw/zinc/78/56/75/626785675.db2.gz NRVYYQCTMVZUPP-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO Cc1nn(C[N@@H+](C)CC(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761290348 626821764 /nfs/dbraw/zinc/82/17/64/626821764.db2.gz OMEJPSPYOYQEIJ-UHFFFAOYSA-N 1 0 276.340 2.798 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccon1)C1CC1 ZINC000766420656 627201632 /nfs/dbraw/zinc/20/16/32/627201632.db2.gz JLCBZHLZFYLOKN-AWEZNQCLSA-N 1 0 287.319 2.694 20 5 CFBDRO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC000767000593 627230822 /nfs/dbraw/zinc/23/08/22/627230822.db2.gz QNEPAQPAHZIAPW-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000770000855 627495749 /nfs/dbraw/zinc/49/57/49/627495749.db2.gz KEFIXRCDRHSVCW-CQSZACIVSA-N 1 0 276.336 2.647 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771459416 627605876 /nfs/dbraw/zinc/60/58/76/627605876.db2.gz JYIMWWCIQBNBIR-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)cc[nH+]1 ZINC000775501825 628032152 /nfs/dbraw/zinc/03/21/52/628032152.db2.gz SKVGCQSVHGDVJQ-UHFFFAOYSA-N 1 0 277.711 2.986 20 5 CFBDRO C[C@@H]1CCCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732781 628060324 /nfs/dbraw/zinc/06/03/24/628060324.db2.gz VTLSONXUTJYOLP-DOMZBBRYSA-N 1 0 278.352 2.750 20 5 CFBDRO CO[C@H]1CC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038763 634633064 /nfs/dbraw/zinc/63/30/64/634633064.db2.gz RHKUSQSVWLXGIA-KBPBESRZSA-N 1 0 278.352 2.637 20 5 CFBDRO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578639 628160435 /nfs/dbraw/zinc/16/04/35/628160435.db2.gz HZTKLAWBKNGFBK-AWEZNQCLSA-N 1 0 264.325 2.501 20 5 CFBDRO CC[C@H](C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581977 628160552 /nfs/dbraw/zinc/16/05/52/628160552.db2.gz KLTSVIMLAVRVKF-FZMZJTMJSA-N 1 0 266.341 2.606 20 5 CFBDRO C[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584351 628161638 /nfs/dbraw/zinc/16/16/38/628161638.db2.gz MTBZRZAWYPHFMB-SWLSCSKDSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776591255 628162511 /nfs/dbraw/zinc/16/25/11/628162511.db2.gz IKQBBZKGMVVVOZ-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO CSCC[C@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592320 628163226 /nfs/dbraw/zinc/16/32/26/628163226.db2.gz KXOYGHNWZRIJBY-FZMZJTMJSA-N 1 0 298.408 2.702 20 5 CFBDRO C[C@@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000776591584 628163475 /nfs/dbraw/zinc/16/34/75/628163475.db2.gz KRCBKFSUVDPVKI-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000778954474 628341542 /nfs/dbraw/zinc/34/15/42/628341542.db2.gz WZOJUKLBZRPWKB-OLZOCXBDSA-N 1 0 277.368 2.600 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1Cl ZINC000783596931 628725274 /nfs/dbraw/zinc/72/52/74/628725274.db2.gz YWCFSXRCAGCKIS-LLVKDONJSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350118 628808219 /nfs/dbraw/zinc/80/82/19/628808219.db2.gz YETSUWSORWQWJJ-IUODEOHRSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H]([NH2+]CCOCC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752399 629096732 /nfs/dbraw/zinc/09/67/32/629096732.db2.gz VTZKOPKXNDRITJ-NSHDSACASA-N 1 0 293.367 2.644 20 5 CFBDRO CC[C@H](C)[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852290432 634711818 /nfs/dbraw/zinc/71/18/18/634711818.db2.gz IAEUIDBDNUFBBM-FZMZJTMJSA-N 1 0 266.341 2.749 20 5 CFBDRO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000791052325 629284279 /nfs/dbraw/zinc/28/42/79/629284279.db2.gz MCIXOFIDELXYHK-UKRRQHHQSA-N 1 0 262.353 2.779 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801523214 630453692 /nfs/dbraw/zinc/45/36/92/630453692.db2.gz LGNKSXUSDZKZPD-ZDUSSCGKSA-N 1 0 295.358 2.696 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2C2CC2)c(F)c1 ZINC000840887144 631251987 /nfs/dbraw/zinc/25/19/87/631251987.db2.gz JZQQZVGQLADELY-UHFFFAOYSA-N 1 0 276.271 2.877 20 5 CFBDRO CC(C)CCCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734709 631273726 /nfs/dbraw/zinc/27/37/26/631273726.db2.gz KFIUOCVKISPOHB-UHFFFAOYSA-N 1 0 265.357 2.796 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809754652 631280869 /nfs/dbraw/zinc/28/08/69/631280869.db2.gz LQTSFSXTNBCVQE-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC([NH3+])(CC)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841031712 631312499 /nfs/dbraw/zinc/31/24/99/631312499.db2.gz ZLTBCVWLJBGLJA-UHFFFAOYSA-N 1 0 285.775 2.855 20 5 CFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000841101714 631340379 /nfs/dbraw/zinc/34/03/79/631340379.db2.gz ZKKSNCWHUMHMNV-ZYHUDNBSSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000842167186 631559724 /nfs/dbraw/zinc/55/97/24/631559724.db2.gz SDUHQEMMJANQNJ-YXMPFFBPSA-N 1 0 278.352 2.605 20 5 CFBDRO C[NH2+]C[C@H](C)c1noc(-c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000842583709 631672152 /nfs/dbraw/zinc/67/21/52/631672152.db2.gz ZIMJLWIYQQUWOJ-JTQLQIEISA-N 1 0 290.323 2.585 20 5 CFBDRO O=[N+]([O-])c1ccc(/C=C/c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000842645966 631691560 /nfs/dbraw/zinc/69/15/60/631691560.db2.gz NMBXDOFLELTUGO-ZCRIDZFUSA-N 1 0 286.291 2.573 20 5 CFBDRO Cc1cc(N2CCC[C@@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000812457918 631721206 /nfs/dbraw/zinc/72/12/06/631721206.db2.gz QMWPEASLLBVDCU-LBPRGKRZSA-N 1 0 295.358 2.820 20 5 CFBDRO Cc1ccc(NC(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843039045 631810112 /nfs/dbraw/zinc/81/01/12/631810112.db2.gz LUCQVGCOEYTEMT-UHFFFAOYSA-N 1 0 294.355 2.544 20 5 CFBDRO Cc1c(Cc2nc([C@H]([NH3+])C(C)C)no2)cccc1[N+](=O)[O-] ZINC000843150926 631863398 /nfs/dbraw/zinc/86/33/98/631863398.db2.gz WQDBIYZANJNKPT-CYBMUJFWSA-N 1 0 290.323 2.533 20 5 CFBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843234023 631907937 /nfs/dbraw/zinc/90/79/37/631907937.db2.gz PCPXSYAHTNHORI-SNVBAGLBSA-N 1 0 298.387 2.754 20 5 CFBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000814251965 632045550 /nfs/dbraw/zinc/04/55/50/632045550.db2.gz YOMXLYMXQSXIQU-GJZGRUSLSA-N 1 0 292.379 2.995 20 5 CFBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000814873791 632144880 /nfs/dbraw/zinc/14/48/80/632144880.db2.gz QNZZVBURMPIGRU-LLVKDONJSA-N 1 0 297.786 2.945 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844376025 632184762 /nfs/dbraw/zinc/18/47/62/632184762.db2.gz BPQFEIJYJPDNLT-MFKMUULPSA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815573327 632290251 /nfs/dbraw/zinc/29/02/51/632290251.db2.gz GICLXRFGHBQNRL-SNVBAGLBSA-N 1 0 287.319 2.733 20 5 CFBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588204 632292989 /nfs/dbraw/zinc/29/29/89/632292989.db2.gz GWGOZPXYRIYCCV-GRYCIOLGSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592161 632293011 /nfs/dbraw/zinc/29/30/11/632293011.db2.gz ALKJVPNSWRKGNA-KOLCDFICSA-N 1 0 263.341 2.874 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000815613922 632297734 /nfs/dbraw/zinc/29/77/34/632297734.db2.gz AJAZSRUWLXDJHK-DMDPSCGWSA-N 1 0 293.367 2.643 20 5 CFBDRO Cc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000105909025 632435014 /nfs/dbraw/zinc/43/50/14/632435014.db2.gz FAQHJHMNVUIPNC-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105908914 632435044 /nfs/dbraw/zinc/43/50/44/632435044.db2.gz BBWHMKFYXUYAOH-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[N@H+]1C ZINC000816653317 632505155 /nfs/dbraw/zinc/50/51/55/632505155.db2.gz NSNGEMZEJIHJGG-PHIMTYICSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816660714 632507503 /nfs/dbraw/zinc/50/75/03/632507503.db2.gz MWYAWDROSLGAKW-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO COc1ccc(OCCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000818619886 632882016 /nfs/dbraw/zinc/88/20/16/632882016.db2.gz MTSFQVTZIGXFNI-UHFFFAOYSA-N 1 0 282.340 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000819120109 632974727 /nfs/dbraw/zinc/97/47/27/632974727.db2.gz KVOWTKHMKOJIHT-MRXNPFEDSA-N 1 0 290.363 2.654 20 5 CFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819351327 633100099 /nfs/dbraw/zinc/10/00/99/633100099.db2.gz ZKDRBCOZFZBEFY-QEJZJMRPSA-N 1 0 278.352 2.510 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000848785626 633343716 /nfs/dbraw/zinc/34/37/16/633343716.db2.gz NMKRIOBZRGYUEJ-OLZOCXBDSA-N 1 0 290.367 2.727 20 5 CFBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000849009863 633459010 /nfs/dbraw/zinc/45/90/10/633459010.db2.gz CWMCHNOCSDPKDX-UHFFFAOYSA-N 1 0 290.367 2.538 20 5 CFBDRO Cc1c(CNC(=[NH2+])N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000849021960 633465211 /nfs/dbraw/zinc/46/52/11/633465211.db2.gz NVUYCJRZVLVARP-UHFFFAOYSA-N 1 0 290.367 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000849325808 633617558 /nfs/dbraw/zinc/61/75/58/633617558.db2.gz UDXLPEBWSYGMII-QEJZJMRPSA-N 1 0 276.336 2.503 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000849330537 633619414 /nfs/dbraw/zinc/61/94/14/633619414.db2.gz UWWYEENXLOSJDO-SHPPOPEUSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850369408 633960047 /nfs/dbraw/zinc/96/00/47/633960047.db2.gz JIHXMPYMNUPBST-JKSUJKDBSA-N 1 0 284.315 2.863 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C=CCC2)n1 ZINC000850508952 634023463 /nfs/dbraw/zinc/02/34/63/634023463.db2.gz MJQNEPDMDNLTJN-JHJVBQTASA-N 1 0 276.340 2.583 20 5 CFBDRO CCC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504647 634069476 /nfs/dbraw/zinc/06/94/76/634069476.db2.gz MJKSPSMQYVBTSO-SECBINFHSA-N 1 0 276.296 2.705 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000111165771 634937063 /nfs/dbraw/zinc/93/70/63/634937063.db2.gz DIDHZEGIDQUNRX-NSHDSACASA-N 1 0 276.340 2.880 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000853390101 634990584 /nfs/dbraw/zinc/99/05/84/634990584.db2.gz LMLYXQANSCHXBS-VIFPVBQESA-N 1 0 269.370 2.861 20 5 CFBDRO CN(CC[NH+](C)C)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853398842 634994871 /nfs/dbraw/zinc/99/48/71/634994871.db2.gz RGAHIDVXAKLVSK-UHFFFAOYSA-N 1 0 273.283 2.530 20 5 CFBDRO Cc1nn(C[N@H+](CCC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000853605390 635047281 /nfs/dbraw/zinc/04/72/81/635047281.db2.gz FJBGKGLTPFJTJW-UHFFFAOYSA-N 1 0 278.356 2.569 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000853867464 635139204 /nfs/dbraw/zinc/13/92/04/635139204.db2.gz KLCUOKXLJDIMDY-GFCCVEGCSA-N 1 0 292.383 2.709 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCCC[C@@H]1CO ZINC000157127014 650213536 /nfs/dbraw/zinc/21/35/36/650213536.db2.gz TVZVLCADFDACID-CYBMUJFWSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858529176 636283327 /nfs/dbraw/zinc/28/33/27/636283327.db2.gz PDNBCJMRFKTBOW-YQEZVOHVSA-N 1 0 293.367 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+](C2CC2)C2CC2)c1 ZINC000863304666 637622521 /nfs/dbraw/zinc/62/25/21/637622521.db2.gz JTMPVJHNUOYIQF-UHFFFAOYSA-N 1 0 272.308 2.529 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000863578540 637701250 /nfs/dbraw/zinc/70/12/50/637701250.db2.gz NFTZBNAWFFEXNC-CZUORRHYSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865761790 638560070 /nfs/dbraw/zinc/56/00/70/638560070.db2.gz QSJPRJDAYFSHBM-ZBFHGGJFSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000865838813 638604067 /nfs/dbraw/zinc/60/40/67/638604067.db2.gz CVTVJGLFCMEMJW-HWPRWLFBSA-N 1 0 286.335 2.692 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000865871586 638629358 /nfs/dbraw/zinc/62/93/58/638629358.db2.gz DHZNBWMTHKQCCX-PIEIZJNZSA-N 1 0 278.352 2.747 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H](O)C2CCCC2)cs1 ZINC000865876879 638637838 /nfs/dbraw/zinc/63/78/38/638637838.db2.gz XXGGPKUIJYXUMF-LBPRGKRZSA-N 1 0 284.381 2.687 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209147 638771509 /nfs/dbraw/zinc/77/15/09/638771509.db2.gz PPSXFMHEMVLYAG-DGCLKSJQSA-N 1 0 293.342 2.573 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC1 ZINC000866226947 638774294 /nfs/dbraw/zinc/77/42/94/638774294.db2.gz VVGOMGZVEMSTQY-SECBINFHSA-N 1 0 252.289 2.665 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCC1CC1 ZINC000866264321 638783726 /nfs/dbraw/zinc/78/37/26/638783726.db2.gz YDBBIWHYCSSDHQ-NSHDSACASA-N 1 0 296.342 2.681 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866271984 638785878 /nfs/dbraw/zinc/78/58/78/638785878.db2.gz HGDVUBXFSNPAIM-BXUZGUMPSA-N 1 0 298.358 2.926 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866300833 638791707 /nfs/dbraw/zinc/79/17/07/638791707.db2.gz FAEOVYURVJDDBS-SMDDNHRTSA-N 1 0 298.358 2.806 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866309122 638794341 /nfs/dbraw/zinc/79/43/41/638794341.db2.gz LVWXHXVNTMXGBB-HZMBPMFUSA-N 1 0 296.342 2.680 20 5 CFBDRO COC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866336823 638798559 /nfs/dbraw/zinc/79/85/59/638798559.db2.gz NGPSENVWPNIJIE-NSHDSACASA-N 1 0 296.342 2.824 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866360594 638803942 /nfs/dbraw/zinc/80/39/42/638803942.db2.gz FCBQXRPWZGWUOS-MXWKQRLJSA-N 1 0 284.331 2.678 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000866362172 638804430 /nfs/dbraw/zinc/80/44/30/638804430.db2.gz BBEBOWOYXPBXKP-YGRLFVJLSA-N 1 0 298.358 2.804 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C=CCC1 ZINC000866388785 638811973 /nfs/dbraw/zinc/81/19/73/638811973.db2.gz MTRJEDBGEHHYBW-MFKMUULPSA-N 1 0 264.300 2.973 20 5 CFBDRO C/C=C\C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866398318 638814823 /nfs/dbraw/zinc/81/48/23/638814823.db2.gz MLCKNTCXZVFIGO-XOULXFPDSA-N 1 0 252.289 2.831 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866415323 638817645 /nfs/dbraw/zinc/81/76/45/638817645.db2.gz RZWPYKJPTMBQKW-BXUZGUMPSA-N 1 0 298.358 2.806 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000866634919 638858856 /nfs/dbraw/zinc/85/88/56/638858856.db2.gz VPVTZSRLXZXHRG-IJLUTSLNSA-N 1 0 296.367 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725239 638870971 /nfs/dbraw/zinc/87/09/71/638870971.db2.gz QFDAPKMYBZZXOV-JSGCOSHPSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725198 638871081 /nfs/dbraw/zinc/87/10/81/638871081.db2.gz PPWMQWHVMWSDIG-OLZOCXBDSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000121860471 638900373 /nfs/dbraw/zinc/90/03/73/638900373.db2.gz AMKPLFBEYUMEOZ-UHFFFAOYSA-N 1 0 286.335 2.778 20 5 CFBDRO CC[C@@H](COC)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000079754326 650617131 /nfs/dbraw/zinc/61/71/31/650617131.db2.gz SKWAKVPSTUTTOX-NSHDSACASA-N 1 0 272.732 2.763 20 5 CFBDRO CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123609982 641314242 /nfs/dbraw/zinc/31/42/42/641314242.db2.gz YMJQEBGOSJRTPF-UHFFFAOYSA-N 1 0 285.731 2.529 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026109 641557832 /nfs/dbraw/zinc/55/78/32/641557832.db2.gz AXZLKRISFJOMNA-UWVGGRQHSA-N 1 0 270.304 2.667 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030463 641560063 /nfs/dbraw/zinc/56/00/63/641560063.db2.gz FWBVPSXJSXYADC-UWVGGRQHSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032826 641563019 /nfs/dbraw/zinc/56/30/19/641563019.db2.gz ALUCBCQGLCKOJN-VHSXEESVSA-N 1 0 268.288 2.564 20 5 CFBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035995 641568339 /nfs/dbraw/zinc/56/83/39/641568339.db2.gz OTUWIZRHBYEEIK-LKFCYVNXSA-N 1 0 282.315 2.546 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038668 641572330 /nfs/dbraw/zinc/57/23/30/641572330.db2.gz OQVQIAYHISDNLN-UWVGGRQHSA-N 1 0 270.304 2.546 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CCO ZINC000872039288 641572875 /nfs/dbraw/zinc/57/28/75/641572875.db2.gz FMFIDQFEINMKBX-GHMZBOCLSA-N 1 0 298.408 2.986 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000872039402 641573444 /nfs/dbraw/zinc/57/34/44/641573444.db2.gz SEDATEYEIPVXGV-HUUCEWRRSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872041102 641575303 /nfs/dbraw/zinc/57/53/03/641575303.db2.gz GDSIZZWPADJMFP-VHSXEESVSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053565 641588373 /nfs/dbraw/zinc/58/83/73/641588373.db2.gz YLKHPNQTEKXVJR-GHMZBOCLSA-N 1 0 284.331 2.793 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064292 641596612 /nfs/dbraw/zinc/59/66/12/641596612.db2.gz FJXYXZZPGHSILN-AEJSXWLSSA-N 1 0 270.304 2.808 20 5 CFBDRO C[C@H]([NH2+]CCC1CC(O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065820 641597543 /nfs/dbraw/zinc/59/75/43/641597543.db2.gz HAGNBJJXYMXDLW-WHXUTIOJSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+]CC1(CCO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872065334 641597581 /nfs/dbraw/zinc/59/75/81/641597581.db2.gz YTXDAUXIEMCSQK-JTQLQIEISA-N 1 0 282.315 2.547 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)C ZINC000872071771 641603211 /nfs/dbraw/zinc/60/32/11/641603211.db2.gz WZUAVWWRRFSGQZ-JTQLQIEISA-N 1 0 283.397 2.529 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872071938 641603353 /nfs/dbraw/zinc/60/33/53/641603353.db2.gz AGZTWQWONOPVJZ-ZANVPECISA-N 1 0 282.315 2.810 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)C ZINC000872071772 641603495 /nfs/dbraw/zinc/60/34/95/641603495.db2.gz WZUAVWWRRFSGQZ-SNVBAGLBSA-N 1 0 283.397 2.529 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872078095 641609915 /nfs/dbraw/zinc/60/99/15/641609915.db2.gz DWWHFDLBEGBCIC-GARJFASQSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082814 641615794 /nfs/dbraw/zinc/61/57/94/641615794.db2.gz BJMNUHWFODGVQP-NSHDSACASA-N 1 0 296.342 2.937 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082236 641616029 /nfs/dbraw/zinc/61/60/29/641616029.db2.gz SMTVGPRNZINYKW-UTLUCORTSA-N 1 0 268.288 2.562 20 5 CFBDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085465 641619324 /nfs/dbraw/zinc/61/93/24/641619324.db2.gz NURQBGILBMHWNQ-CMPLNLGQSA-N 1 0 296.342 2.793 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089509 641623169 /nfs/dbraw/zinc/62/31/69/641623169.db2.gz YYFPKGHBNYVCCY-NWDGAFQWSA-N 1 0 295.358 2.869 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000872091864 641624828 /nfs/dbraw/zinc/62/48/28/641624828.db2.gz LFEWBTYSVKFFAZ-GARJFASQSA-N 1 0 296.392 2.738 20 5 CFBDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872112429 641642767 /nfs/dbraw/zinc/64/27/67/641642767.db2.gz JCNZVXGQSCTZCP-RYUDHWBXSA-N 1 0 292.335 2.589 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129602 641657499 /nfs/dbraw/zinc/65/74/99/641657499.db2.gz RSCSXPASFBMBSI-LALPHHSUSA-N 1 0 289.379 2.728 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129801 641657787 /nfs/dbraw/zinc/65/77/87/641657787.db2.gz UTQIKHKGJSFSQL-YNEHKIRRSA-N 1 0 289.379 2.871 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCC2CC2)c1 ZINC000872231464 641710380 /nfs/dbraw/zinc/71/03/80/641710380.db2.gz KVUBOUFDYJFHQV-HNNXBMFYSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[C@H]2C=CCC2)cc1 ZINC000872245651 641715273 /nfs/dbraw/zinc/71/52/73/641715273.db2.gz DVLPCVNQMRHXKO-XJKSGUPXSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[C@H]2C=CCC2)cc1 ZINC000872245646 641715693 /nfs/dbraw/zinc/71/56/93/641715693.db2.gz DVLPCVNQMRHXKO-BBRMVZONSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)c2c1 ZINC000872712226 641907480 /nfs/dbraw/zinc/90/74/80/641907480.db2.gz KHEAGJMGJMVRBH-OKILXGFUSA-N 1 0 298.346 2.800 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000872779859 641933839 /nfs/dbraw/zinc/93/38/39/641933839.db2.gz JBJRFNCKFHMDGX-CHWSQXEVSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1nccn1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873030749 641989826 /nfs/dbraw/zinc/98/98/26/641989826.db2.gz LKSZHVIGZSSICO-UHFFFAOYSA-N 1 0 288.351 2.506 20 5 CFBDRO Cc1c(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000873072426 642004314 /nfs/dbraw/zinc/00/43/14/642004314.db2.gz WYUWFDMTOJNKHM-JKSUJKDBSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000873106076 642013594 /nfs/dbraw/zinc/01/35/94/642013594.db2.gz DNNBVVKSXIYTNX-GDBMZVCRSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCOC1 ZINC000873105072 642013839 /nfs/dbraw/zinc/01/38/39/642013839.db2.gz VHUZFLVFRPYECU-ZDUSSCGKSA-N 1 0 278.352 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOC(F)F ZINC000873122312 642019400 /nfs/dbraw/zinc/01/94/00/642019400.db2.gz RBGUVKLAHUVMKC-UHFFFAOYSA-N 1 0 288.294 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000873126249 642020169 /nfs/dbraw/zinc/02/01/69/642020169.db2.gz PSGMMXZVAQTRSZ-TZMCWYRMSA-N 1 0 292.379 2.974 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)CCCO ZINC000873129981 642021897 /nfs/dbraw/zinc/02/18/97/642021897.db2.gz XGOREYFCWOLHRG-NSHDSACASA-N 1 0 280.368 2.710 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](O)C(C)C ZINC000873132085 642023488 /nfs/dbraw/zinc/02/34/88/642023488.db2.gz GOBUQTWAANSVOQ-DZGCQCFKSA-N 1 0 280.368 2.788 20 5 CFBDRO COC1CC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873134478 642024642 /nfs/dbraw/zinc/02/46/42/642024642.db2.gz NYUZASXQIUNTHF-UHFFFAOYSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1COC(C)(C)C1 ZINC000873133199 642024801 /nfs/dbraw/zinc/02/48/01/642024801.db2.gz BLFXNESBNIZTRV-GFCCVEGCSA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000873138127 642027534 /nfs/dbraw/zinc/02/75/34/642027534.db2.gz NMZPGWHYNMJBBA-CABCVRRESA-N 1 0 290.363 2.605 20 5 CFBDRO COCC(C)(C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000873153104 642033635 /nfs/dbraw/zinc/03/36/35/642033635.db2.gz ZAKOGCKTZRBPOD-UHFFFAOYSA-N 1 0 296.367 2.756 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCOCC1 ZINC000084439925 650774549 /nfs/dbraw/zinc/77/45/49/650774549.db2.gz BRXKAVYMVBARMD-UHFFFAOYSA-N 1 0 270.716 2.517 20 5 CFBDRO CCOCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439663 650774287 /nfs/dbraw/zinc/77/42/87/650774287.db2.gz YDWHHGOTEKDAHN-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO CC[N@H+](CCC(=O)OC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876630835 642949872 /nfs/dbraw/zinc/94/98/72/642949872.db2.gz LUFLQLCWOFDGBZ-UHFFFAOYSA-N 1 0 294.351 2.597 20 5 CFBDRO C[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876893272 643054686 /nfs/dbraw/zinc/05/46/86/643054686.db2.gz FAXSNUHTZZERAX-BBCYWQGDSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876985168 643092809 /nfs/dbraw/zinc/09/28/09/643092809.db2.gz VJIXFVUKYYRRMC-ZSVAQUKISA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000877123937 643163081 /nfs/dbraw/zinc/16/30/81/643163081.db2.gz GGYSNUPFIIVFEC-LLVKDONJSA-N 1 0 259.309 2.816 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H]1C ZINC000877337075 643241458 /nfs/dbraw/zinc/24/14/58/643241458.db2.gz NBIYJMIJGXPMTG-PGDPNYEUSA-N 1 0 292.383 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC(O)CC1 ZINC000877423676 643265473 /nfs/dbraw/zinc/26/54/73/643265473.db2.gz JEOBMWKUWUQMOH-UHFFFAOYSA-N 1 0 278.352 2.605 20 5 CFBDRO Cc1cscc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877482554 643298183 /nfs/dbraw/zinc/29/81/83/643298183.db2.gz CDPWPYNFDFDJAI-UHFFFAOYSA-N 1 0 292.364 2.655 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000245753615 650832939 /nfs/dbraw/zinc/83/29/39/650832939.db2.gz OLNVWBBGVVQSFE-VXGBXAGGSA-N 1 0 288.351 2.880 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(C)(C)CO ZINC000877562188 643361001 /nfs/dbraw/zinc/36/10/01/643361001.db2.gz WTSCKQVBPFIYQD-UHFFFAOYSA-N 1 0 280.368 2.662 20 5 CFBDRO C[C@@H](CC(C)(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877577187 643374590 /nfs/dbraw/zinc/37/45/90/643374590.db2.gz BQXLPGDFMOKHAI-UNXYVOJBSA-N 1 0 280.372 2.909 20 5 CFBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CC1(C)C ZINC000877593652 643386537 /nfs/dbraw/zinc/38/65/37/643386537.db2.gz XQTXCFXEWBFCDC-DZYMPVBWSA-N 1 0 292.383 2.909 20 5 CFBDRO CC[C@@H](C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877623816 643410500 /nfs/dbraw/zinc/41/05/00/643410500.db2.gz ARTABVPPPGRWJG-VOMCLLRMSA-N 1 0 266.345 2.521 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000877628026 643413037 /nfs/dbraw/zinc/41/30/37/643413037.db2.gz ADFAPDILNOCIQK-SJORKVTESA-N 1 0 298.342 2.905 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000877640551 643425506 /nfs/dbraw/zinc/42/55/06/643425506.db2.gz OVQDSRQWFPGYHJ-BLLLJJGKSA-N 1 0 292.379 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000877646457 643429993 /nfs/dbraw/zinc/42/99/93/643429993.db2.gz IKRYXANRDRJMQS-SMDDNHRTSA-N 1 0 292.379 2.662 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000877700453 643463267 /nfs/dbraw/zinc/46/32/67/643463267.db2.gz ANJFQQDUKBSIGA-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126729737 643592478 /nfs/dbraw/zinc/59/24/78/643592478.db2.gz HWBSHQHRXQSOCP-ZIAGYGMSSA-N 1 0 278.352 2.797 20 5 CFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000878421724 643887435 /nfs/dbraw/zinc/88/74/35/643887435.db2.gz CMGKTTPUEUOIGF-NWDGAFQWSA-N 1 0 294.351 2.581 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000878482034 643911517 /nfs/dbraw/zinc/91/15/17/643911517.db2.gz ZUAYOIXXLPFGEK-UHFFFAOYSA-N 1 0 292.383 2.756 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879616666 644350702 /nfs/dbraw/zinc/35/07/02/644350702.db2.gz IDQNGAGWRAWAKN-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO CO[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000880091708 644528808 /nfs/dbraw/zinc/52/88/08/644528808.db2.gz CNBUNUJDSKDXCE-WOPDTQHZSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880291166 644629836 /nfs/dbraw/zinc/62/98/36/644629836.db2.gz CIJTUSNROXOOAN-QWRGUYRKSA-N 1 0 252.289 2.947 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880293054 644631484 /nfs/dbraw/zinc/63/14/84/644631484.db2.gz CYWNSZUUNGLAQH-LLVKDONJSA-N 1 0 282.315 2.785 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CF)C1 ZINC000880294041 644633449 /nfs/dbraw/zinc/63/34/49/644633449.db2.gz QTLBPSAFZXAEPP-GHMZBOCLSA-N 1 0 252.289 2.947 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880498112 644736679 /nfs/dbraw/zinc/73/66/79/644736679.db2.gz KMFOTWCQMDWRSU-CABCVRRESA-N 1 0 294.326 2.925 20 5 CFBDRO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000881807914 645131514 /nfs/dbraw/zinc/13/15/14/645131514.db2.gz GZADYSQGFLEEDY-MNOVXSKESA-N 1 0 296.346 2.661 20 5 CFBDRO CC(=O)c1c(NCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881894750 645149351 /nfs/dbraw/zinc/14/93/51/645149351.db2.gz LLKBUCFPLNNEOL-UHFFFAOYSA-N 1 0 291.351 2.551 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)c(Cl)c1 ZINC000415134791 651018843 /nfs/dbraw/zinc/01/88/43/651018843.db2.gz DZYSNTOJKNJMIS-CQSZACIVSA-N 1 0 295.770 2.576 20 5 CFBDRO C=C/C=C\CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000883261138 645705543 /nfs/dbraw/zinc/70/55/43/645705543.db2.gz RIDIHAIIWLZUID-WAYWQWQTSA-N 1 0 292.335 2.834 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253178029 651039290 /nfs/dbraw/zinc/03/92/90/651039290.db2.gz BMCURWMCDQVAAY-ZYHUDNBSSA-N 1 0 297.786 2.665 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883317721 645736702 /nfs/dbraw/zinc/73/67/02/645736702.db2.gz SLWUPKAZJTWFRZ-BJHJDKERSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884508770 646408102 /nfs/dbraw/zinc/40/81/02/646408102.db2.gz OGPAYPVUSBNGEX-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])c3ccccc32)CCC1 ZINC000884520700 646417470 /nfs/dbraw/zinc/41/74/70/646417470.db2.gz CGKXRJPAGOQSJP-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@H+](CC1CC1)C1CCC1 ZINC000886183841 646911080 /nfs/dbraw/zinc/91/10/80/646911080.db2.gz OEPJRVNNBGYLKN-UHFFFAOYSA-N 1 0 261.325 2.754 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000886218137 646925457 /nfs/dbraw/zinc/92/54/57/646925457.db2.gz OMYTZPJKZZZRGJ-ZDUSSCGKSA-N 1 0 298.346 2.764 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886559654 647047197 /nfs/dbraw/zinc/04/71/97/647047197.db2.gz AMDRJRGLRKYYSO-UTUOFQBUSA-N 1 0 278.377 2.951 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)cc1 ZINC000886676447 647105624 /nfs/dbraw/zinc/10/56/24/647105624.db2.gz HMWLIFNMTCEAGY-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886836137 647157591 /nfs/dbraw/zinc/15/75/91/647157591.db2.gz VWOJQNNHNPNDQI-ABAIWWIYSA-N 1 0 294.326 2.735 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCF ZINC000887138999 647227783 /nfs/dbraw/zinc/22/77/83/647227783.db2.gz VMIQGUYGONVHEQ-UHFFFAOYSA-N 1 0 270.304 2.785 20 5 CFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300328430 647322312 /nfs/dbraw/zinc/32/23/12/647322312.db2.gz OGKWQOKSYZAZQN-KYOSRNDESA-N 1 0 278.352 2.654 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000300662452 647346367 /nfs/dbraw/zinc/34/63/67/647346367.db2.gz YPFIOOVANUUUQW-OLZOCXBDSA-N 1 0 282.315 2.637 20 5 CFBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311244 648155011 /nfs/dbraw/zinc/15/50/11/648155011.db2.gz RKXCMKHQGMTRNA-KGLIPLIRSA-N 1 0 278.352 2.746 20 5 CFBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311247 648155304 /nfs/dbraw/zinc/15/53/04/648155304.db2.gz RKXCMKHQGMTRNA-ZIAGYGMSSA-N 1 0 278.352 2.746 20 5 CFBDRO Cc1ccc(C[NH2+]C2[C@H](C)COC[C@H]2C)cc1[N+](=O)[O-] ZINC000926796394 648619505 /nfs/dbraw/zinc/61/95/05/648619505.db2.gz NVRWRBWJLKWQOA-VXGBXAGGSA-N 1 0 278.352 2.664 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000927028816 648688043 /nfs/dbraw/zinc/68/80/43/648688043.db2.gz RGMFYTAPRWAXQF-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000929132633 648986890 /nfs/dbraw/zinc/98/68/90/648986890.db2.gz FVZVJYZDSNVYKY-AWEZNQCLSA-N 1 0 291.351 2.715 20 5 CFBDRO COC/C(C)=C\C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208343 649207044 /nfs/dbraw/zinc/20/70/44/649207044.db2.gz NPCVSOWARYQWTH-SEVUFMINSA-N 1 0 264.325 2.838 20 5 CFBDRO CCc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000930440404 649247795 /nfs/dbraw/zinc/24/77/95/649247795.db2.gz MFJHYHRLNIEXFM-UHFFFAOYSA-N 1 0 289.335 2.820 20 5 CFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000930496750 649261196 /nfs/dbraw/zinc/26/11/96/649261196.db2.gz RJXYXYBBGYTFNJ-GFCCVEGCSA-N 1 0 287.319 2.801 20 5 CFBDRO COc1ccc(C[N@H+](CC[N+](=O)[O-])C(C)(C)C)cc1 ZINC000930503840 649262852 /nfs/dbraw/zinc/26/28/52/649262852.db2.gz GRVNAONUEFEIHF-UHFFFAOYSA-N 1 0 266.341 2.572 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000930720362 649314978 /nfs/dbraw/zinc/31/49/78/649314978.db2.gz PPEDXFMBDQXYEW-CQSZACIVSA-N 1 0 260.337 2.533 20 5 CFBDRO COC/C(C)=C/C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932176834 649559076 /nfs/dbraw/zinc/55/90/76/649559076.db2.gz NNJJFPWJWRLMBB-JATZPVMKSA-N 1 0 264.325 2.838 20 5 CFBDRO CC(=O)NCCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932176407 649559212 /nfs/dbraw/zinc/55/92/12/649559212.db2.gz CSKNLQYJMHTPKD-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000036321047 649577371 /nfs/dbraw/zinc/57/73/71/649577371.db2.gz OTYFIALLFNUMRX-UHFFFAOYSA-N 1 0 284.743 2.859 20 5 CFBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932646177 649633995 /nfs/dbraw/zinc/63/39/95/649633995.db2.gz XFJNWSFRQFPUGY-RYUDHWBXSA-N 1 0 292.335 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1F ZINC000933375128 649690121 /nfs/dbraw/zinc/69/01/21/649690121.db2.gz GFZOZUIAGZDZJU-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000934228568 649763907 /nfs/dbraw/zinc/76/39/07/649763907.db2.gz BNKYKVSLNITKLN-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC000934396684 649783444 /nfs/dbraw/zinc/78/34/44/649783444.db2.gz RWINISJALCPDDR-HNNXBMFYSA-N 1 0 290.363 2.829 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000934673637 649813962 /nfs/dbraw/zinc/81/39/62/649813962.db2.gz CRDJNEMJRIBSJK-UHFFFAOYSA-N 1 0 272.345 2.965 20 5 CFBDRO CSCC(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000934676203 649814541 /nfs/dbraw/zinc/81/45/41/649814541.db2.gz JRPHRPDFLTXABX-UHFFFAOYSA-N 1 0 284.381 2.705 20 5 CFBDRO CSCC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000934675879 649814550 /nfs/dbraw/zinc/81/45/50/649814550.db2.gz VXXQPJMIBRBWLU-UHFFFAOYSA-N 1 0 268.382 2.869 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000934776163 649830016 /nfs/dbraw/zinc/83/00/16/649830016.db2.gz BMPNWXWUOHPTTJ-YGRLFVJLSA-N 1 0 296.367 2.919 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1NCc1cncnc1 ZINC001167261537 770188173 /nfs/dbraw/zinc/18/81/73/770188173.db2.gz YZUYCFWTSSMTHD-UHFFFAOYSA-N 1 0 271.388 2.685 20 5 CFBDRO Cc1cc(Cl)c(N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167284690 770213460 /nfs/dbraw/zinc/21/34/60/770213460.db2.gz LXRJGXMVQAVNSE-VIFPVBQESA-N 1 0 269.732 2.673 20 5 CFBDRO CN(C)c1cc[nH+]cc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190350 770448358 /nfs/dbraw/zinc/44/83/58/770448358.db2.gz SIBNATQTGHXBFS-UHFFFAOYSA-N 1 0 276.271 2.939 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000723986235 770734076 /nfs/dbraw/zinc/73/40/76/770734076.db2.gz AQPLRPOXJZSZER-ZFWWWQNUSA-N 1 0 278.352 2.890 20 5 CFBDRO CCOc1ccccc1OCCO[C@@H](C)C[N+](C)(C)C ZINC001224494156 775202403 /nfs/dbraw/zinc/20/24/03/775202403.db2.gz JBVABJFMJREVKM-AWEZNQCLSA-N 1 0 282.404 2.575 20 5 CFBDRO N=C(Nc1cc2cccnc2c2ncccc12)SCC[NH3+] ZINC001167913361 775297172 /nfs/dbraw/zinc/29/71/72/775297172.db2.gz XJHQLFAAERMTCZ-UHFFFAOYSA-N 1 0 297.387 2.822 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217975564 775414152 /nfs/dbraw/zinc/41/41/52/775414152.db2.gz IVHHBAQGMLAYAU-CMPLNLGQSA-N 1 0 288.706 2.717 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778021 775590061 /nfs/dbraw/zinc/59/00/61/775590061.db2.gz GKLXWNKJDGDLTR-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@H]1[NH2+]C[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218382477 775604536 /nfs/dbraw/zinc/60/45/36/775604536.db2.gz BXQQXWGJWWMTIS-ANLVUFKYSA-N 1 0 277.107 2.641 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226007355 775665907 /nfs/dbraw/zinc/66/59/07/775665907.db2.gz NALIWIWPHBNURB-JTQLQIEISA-N 1 0 268.288 2.597 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226009366 775666027 /nfs/dbraw/zinc/66/60/27/775666027.db2.gz LPXPAXLNZGYTAW-JTQLQIEISA-N 1 0 268.288 2.597 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226131637 775711609 /nfs/dbraw/zinc/71/16/09/775711609.db2.gz OXCAFICLYHYNNX-SNVBAGLBSA-N 1 0 285.731 2.506 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226254551 775756932 /nfs/dbraw/zinc/75/69/32/775756932.db2.gz AQIYNDKHUMCDCY-SNVBAGLBSA-N 1 0 285.731 2.506 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226364040 775790639 /nfs/dbraw/zinc/79/06/39/775790639.db2.gz CSUOCZSCWKHECP-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC001226365480 775791724 /nfs/dbraw/zinc/79/17/24/775791724.db2.gz DFOWELMEBRRFNE-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CCCC[NH+](CCCC)CCNc1nccnc1[N+](=O)[O-] ZINC001167731992 775856734 /nfs/dbraw/zinc/85/67/34/775856734.db2.gz HGAFOTUPXCTEAZ-UHFFFAOYSA-N 1 0 295.387 2.699 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001226530100 775862853 /nfs/dbraw/zinc/86/28/53/775862853.db2.gz VCGFSPXYBLPWCH-ZDUSSCGKSA-N 1 0 292.335 2.661 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915909 776016718 /nfs/dbraw/zinc/01/67/18/776016718.db2.gz SWFJSCLSJSJXTE-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1ccc(OC2CCN(CCF)CC2)cc1[N+](=O)[O-] ZINC001226951140 776031633 /nfs/dbraw/zinc/03/16/33/776031633.db2.gz TYOGWRQVOBEWOQ-UHFFFAOYSA-N 1 0 282.315 2.716 20 5 CFBDRO COc1cccc2sc(O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001226986087 776049742 /nfs/dbraw/zinc/04/97/42/776049742.db2.gz NVABOIOAQCOKPD-JTQLQIEISA-N 1 0 281.401 2.778 20 5 CFBDRO COc1cc(Cl)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227369077 776186074 /nfs/dbraw/zinc/18/60/74/776186074.db2.gz FTMCGAOQRIINOO-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001227523690 776218302 /nfs/dbraw/zinc/21/83/02/776218302.db2.gz PSRMEIYYZDFCKO-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001227696652 776260786 /nfs/dbraw/zinc/26/07/86/776260786.db2.gz MKGZDDSGWLSANA-GDNZZTSVSA-N 1 0 292.335 2.607 20 5 CFBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)n1 ZINC001228064115 776382278 /nfs/dbraw/zinc/38/22/78/776382278.db2.gz BBWWKPKGNKECOF-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001228213309 776423551 /nfs/dbraw/zinc/42/35/51/776423551.db2.gz WIDFZPQEPDDVQI-SECBINFHSA-N 1 0 296.372 2.678 20 5 CFBDRO CCOc1ccc(O[C@H](C)C[N+](C)(C)C)cc1F ZINC001228358337 776472345 /nfs/dbraw/zinc/47/23/45/776472345.db2.gz XXWXSPPHYBHEFX-LLVKDONJSA-N 1 0 256.341 2.698 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228522059 776511793 /nfs/dbraw/zinc/51/17/93/776511793.db2.gz LZOKRMHTTJVJKO-GFCCVEGCSA-N 1 0 279.343 2.866 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228522060 776511801 /nfs/dbraw/zinc/51/18/01/776511801.db2.gz LZOKRMHTTJVJKO-LBPRGKRZSA-N 1 0 279.343 2.866 20 5 CFBDRO CC(C)Oc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001228585237 776529690 /nfs/dbraw/zinc/52/96/90/776529690.db2.gz FOBRANIISGRWNQ-CYBMUJFWSA-N 1 0 252.378 2.947 20 5 CFBDRO CC(=O)c1ccc2nc(O[C@H](C)C[N+](C)(C)C)oc2c1 ZINC001228669075 776560266 /nfs/dbraw/zinc/56/02/66/776560266.db2.gz PJKQMFZFWAWDLM-SNVBAGLBSA-N 1 0 277.344 2.504 20 5 CFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cnccc1[N+](=O)[O-])C2 ZINC001228882161 776645573 /nfs/dbraw/zinc/64/55/73/776645573.db2.gz LYYWCIPHQKQVAM-ITGUQSILSA-N 1 0 291.351 2.772 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001228915602 776657660 /nfs/dbraw/zinc/65/76/60/776657660.db2.gz HQSNYMFYPQTWNE-IMRBUKKESA-N 1 0 276.336 2.907 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229007815 776687020 /nfs/dbraw/zinc/68/70/20/776687020.db2.gz JYPBUKBBZUFJPM-LLVKDONJSA-N 1 0 290.343 2.617 20 5 CFBDRO CC[NH+]1CCC(Oc2cccc(C(C)=O)c2[N+](=O)[O-])CC1 ZINC001229131926 776727615 /nfs/dbraw/zinc/72/76/15/776727615.db2.gz NUPREOOKSZAUJP-UHFFFAOYSA-N 1 0 292.335 2.661 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229375877 776793484 /nfs/dbraw/zinc/79/34/84/776793484.db2.gz AIRVXMDLVUTLSK-CYBMUJFWSA-N 1 0 282.727 2.721 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(-c2ccccc2)[nH]n1 ZINC001229440477 776812297 /nfs/dbraw/zinc/81/22/97/776812297.db2.gz LZNTXCQSYCTKOM-GFCCVEGCSA-N 1 0 260.361 2.550 20 5 CFBDRO CCOC(=O)CCc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229519785 776839362 /nfs/dbraw/zinc/83/93/62/776839362.db2.gz ILYRHZVSRCZWDN-CQSZACIVSA-N 1 0 294.415 2.656 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCc2nccn2C1 ZINC001229881094 776909398 /nfs/dbraw/zinc/90/93/98/776909398.db2.gz NFIZDKJVSNLIKX-GFCCVEGCSA-N 1 0 287.319 2.802 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229915523 776916951 /nfs/dbraw/zinc/91/69/51/776916951.db2.gz PVNSTUMEFNDOBI-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1cc(O[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1Cl ZINC001229974261 776928052 /nfs/dbraw/zinc/92/80/52/776928052.db2.gz CZNVFJFLKDVZNV-SECBINFHSA-N 1 0 272.732 2.886 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230312883 776977600 /nfs/dbraw/zinc/97/76/00/776977600.db2.gz NIPHKDMJKLHTHF-SNVBAGLBSA-N 1 0 297.311 2.612 20 5 CFBDRO Cc1cc(O[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001230471826 776996137 /nfs/dbraw/zinc/99/61/37/776996137.db2.gz RNCLYZYJUKCNOC-SNVBAGLBSA-N 1 0 252.314 2.541 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230878545 777079655 /nfs/dbraw/zinc/07/96/55/777079655.db2.gz GAXXTFQAOZKFCP-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230919262 777092374 /nfs/dbraw/zinc/09/23/74/777092374.db2.gz UFXHATGFABOAIC-VIFPVBQESA-N 1 0 270.716 2.721 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001230915906 777092967 /nfs/dbraw/zinc/09/29/67/777092967.db2.gz UACSUSQXRZJRCH-LBPRGKRZSA-N 1 0 282.727 2.721 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[NH2+]CC1(C)C ZINC000710784400 777113629 /nfs/dbraw/zinc/11/36/29/777113629.db2.gz JREDOTMHJYWPLX-CQSZACIVSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2c(cccc2[N+](=O)[O-])c1 ZINC001231156937 777159503 /nfs/dbraw/zinc/15/95/03/777159503.db2.gz VDZNREZLRIOHFL-LLVKDONJSA-N 1 0 290.343 2.617 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225955303 777346625 /nfs/dbraw/zinc/34/66/25/777346625.db2.gz CNYNABDELYMVBN-SECBINFHSA-N 1 0 290.241 2.697 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(F)cccc1[N+](=O)[O-] ZINC001226006360 777375857 /nfs/dbraw/zinc/37/58/57/777375857.db2.gz CDRUMPRIJRQRKM-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226131141 777445502 /nfs/dbraw/zinc/44/55/02/777445502.db2.gz BWAFRQMLCOTASL-NSHDSACASA-N 1 0 299.758 2.895 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226333931 777511437 /nfs/dbraw/zinc/51/14/37/777511437.db2.gz PDTAPZNDJGAFQX-XYPYZODXSA-N 1 0 280.324 2.552 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)c([N+](=O)[O-])cn1)C2 ZINC001226918462 777697420 /nfs/dbraw/zinc/69/74/20/777697420.db2.gz XIXVWHWSBONUBL-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000713927985 777878715 /nfs/dbraw/zinc/87/87/15/777878715.db2.gz VEJOFFIZHXUBKN-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC001233597424 778004818 /nfs/dbraw/zinc/00/48/18/778004818.db2.gz LYDRELPSHNHRLN-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233714207 778051738 /nfs/dbraw/zinc/05/17/38/778051738.db2.gz ZTGIGXJGULCCBT-JTQLQIEISA-N 1 0 285.731 2.506 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233715484 778052000 /nfs/dbraw/zinc/05/20/00/778052000.db2.gz HDSZSLVMZCLMHF-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2c(F)cccc21 ZINC001233720350 778052773 /nfs/dbraw/zinc/05/27/73/778052773.db2.gz MTORLOMBESAODZ-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO C[NH+]1CCC(Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233840635 778091661 /nfs/dbraw/zinc/09/16/61/778091661.db2.gz JWSDNHVKBMDAFR-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001233854344 778095738 /nfs/dbraw/zinc/09/57/38/778095738.db2.gz CODKUDWTPFIBED-OAHLLOKOSA-N 1 0 299.330 2.643 20 5 CFBDRO Cc1cc(F)c(OC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001234057510 778155033 /nfs/dbraw/zinc/15/50/33/778155033.db2.gz UTNYYRPRDZVVMN-UHFFFAOYSA-N 1 0 268.288 2.515 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228612461 778173538 /nfs/dbraw/zinc/17/35/38/778173538.db2.gz IXNAWHQMHOXGGR-JTQLQIEISA-N 1 0 286.278 2.736 20 5 CFBDRO COc1c(Cl)ccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001234325123 778209349 /nfs/dbraw/zinc/20/93/49/778209349.db2.gz QRYUPUXNRDFDEF-VIFPVBQESA-N 1 0 276.759 2.961 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c2c1CCC2=O ZINC001234506983 778238568 /nfs/dbraw/zinc/23/85/68/778238568.db2.gz AKEJJSLZZUMUOK-JTQLQIEISA-N 1 0 282.791 2.942 20 5 CFBDRO CCOC(=N)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001234589060 778259355 /nfs/dbraw/zinc/25/93/55/778259355.db2.gz WFXZHHKFPJUJLD-GFCCVEGCSA-N 1 0 265.377 2.522 20 5 CFBDRO COC(=O)c1cc(Cl)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234624250 778268607 /nfs/dbraw/zinc/26/86/07/778268607.db2.gz YTMXTWZWAFQIOP-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO Cc1ccc(Nc2cc[nH+]c(CO)c2)c([N+](=O)[O-])c1 ZINC001214167607 778295294 /nfs/dbraw/zinc/29/52/94/778295294.db2.gz PCTCUSBVODDMBN-UHFFFAOYSA-N 1 0 259.265 2.534 20 5 CFBDRO Cc1cc(O[C@@H](C)C[NH+](C)C)c(C)c(C)c1[N+](=O)[O-] ZINC001234871964 778317201 /nfs/dbraw/zinc/31/72/01/778317201.db2.gz POHQXOXVLQJDHI-JTQLQIEISA-N 1 0 266.341 2.849 20 5 CFBDRO Cc1nccc([N+](=O)[O-])c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001234905052 778326945 /nfs/dbraw/zinc/32/69/45/778326945.db2.gz LVNRRJCGSOETCQ-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO COc1c(C)ccc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001234944931 778335366 /nfs/dbraw/zinc/33/53/66/778335366.db2.gz CQPIPIRZWRITJV-LLVKDONJSA-N 1 0 256.341 2.616 20 5 CFBDRO CCc1cccc(OC)c1O[C@H](C)C[N+](C)(C)C ZINC001234645906 779258026 /nfs/dbraw/zinc/25/80/26/779258026.db2.gz ROUXHZWSWOSFDP-GFCCVEGCSA-N 1 0 252.378 2.731 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699539439 779290949 /nfs/dbraw/zinc/29/09/49/779290949.db2.gz VPGSRKYCAUOMNK-NOZJJQNGSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001168601317 780031507 /nfs/dbraw/zinc/03/15/07/780031507.db2.gz LGUILKYEWDVCSH-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000701050663 780751826 /nfs/dbraw/zinc/75/18/26/780751826.db2.gz VABYLBGPGZTDHH-PUXPGTEJSA-N 1 0 282.315 2.635 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922892405 780775772 /nfs/dbraw/zinc/77/57/72/780775772.db2.gz OSAZZYFRVIQXCY-ZBFHGGJFSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000702340680 780916746 /nfs/dbraw/zinc/91/67/46/780916746.db2.gz ZBYUOEGYTFVZMV-VIFPVBQESA-N 1 0 254.717 2.844 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000703581084 781035413 /nfs/dbraw/zinc/03/54/13/781035413.db2.gz XZTXKSGXPACDTB-XIKARTHZSA-N 1 0 278.352 2.939 20 5 CFBDRO CC1(C)CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)OC1 ZINC000711294234 781406790 /nfs/dbraw/zinc/40/67/90/781406790.db2.gz JXGSSLFACBKRQC-LLVKDONJSA-N 1 0 284.381 2.951 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)c1 ZINC000711463489 781441562 /nfs/dbraw/zinc/44/15/62/781441562.db2.gz RERHYFLUHDJYNG-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000711702118 781465575 /nfs/dbraw/zinc/46/55/75/781465575.db2.gz KIQNXQALARSGGT-LLVKDONJSA-N 1 0 262.309 2.659 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229915995 781494399 /nfs/dbraw/zinc/49/43/99/781494399.db2.gz UYZFPFAGVDKMCX-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000451652813 383676891 /nfs/dbraw/zinc/67/68/91/383676891.db2.gz ZOOGJBTVUCWPGM-OAHLLOKOSA-N 1 0 292.404 2.965 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594514149 349437146 /nfs/dbraw/zinc/43/71/46/349437146.db2.gz HGPRJAAGMYXSEB-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594519622 349440235 /nfs/dbraw/zinc/44/02/35/349440235.db2.gz XDEZZIRJXNJOJP-LBPRGKRZSA-N 1 0 271.320 2.711 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594521847 349441329 /nfs/dbraw/zinc/44/13/29/349441329.db2.gz UWDSEEZYHUYRPR-JKSUJKDBSA-N 1 0 289.379 2.701 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000594594186 349454950 /nfs/dbraw/zinc/45/49/50/349454950.db2.gz KVUDQRQPGOTFMI-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000594595100 349455660 /nfs/dbraw/zinc/45/56/60/349455660.db2.gz RQJLJMYSKYJTOM-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CCCn1nccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000594936580 349518355 /nfs/dbraw/zinc/51/83/55/349518355.db2.gz NAEPQLHGFRRGER-UHFFFAOYSA-N 1 0 288.351 2.534 20 5 CFBDRO COc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1[N+](=O)[O-] ZINC000594950035 349525123 /nfs/dbraw/zinc/52/51/23/349525123.db2.gz HDRZTMXGWHYISO-BXUZGUMPSA-N 1 0 262.309 2.636 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000594961762 349531061 /nfs/dbraw/zinc/53/10/61/349531061.db2.gz HMZVKMXLQJDMRC-CYBMUJFWSA-N 1 0 295.358 2.696 20 5 CFBDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594962869 349532034 /nfs/dbraw/zinc/53/20/34/349532034.db2.gz MERSBEMONCEKLU-CYBMUJFWSA-N 1 0 277.368 2.557 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000594963996 349532126 /nfs/dbraw/zinc/53/21/26/349532126.db2.gz NKGURLQNJRIGGN-VUDGCMKMSA-N 1 0 276.336 2.765 20 5 CFBDRO CC[C@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594967311 349534348 /nfs/dbraw/zinc/53/43/48/349534348.db2.gz LSKVKEVBSYSPDU-NSHDSACASA-N 1 0 294.351 2.892 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C1(CO)CC1 ZINC000594970331 349536185 /nfs/dbraw/zinc/53/61/85/349536185.db2.gz YIGHQTPWUSPGID-YQCJOKCJSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccoc1 ZINC000594979761 349537772 /nfs/dbraw/zinc/53/77/72/349537772.db2.gz JPQCUJIBAPZDIW-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594983020 349538655 /nfs/dbraw/zinc/53/86/55/349538655.db2.gz DZPKKJSNDVIBJD-LLVKDONJSA-N 1 0 256.252 2.730 20 5 CFBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000594983558 349539255 /nfs/dbraw/zinc/53/92/55/349539255.db2.gz FKIHJHVPYCFTLO-GXSJLCMTSA-N 1 0 270.354 2.704 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595008087 349546520 /nfs/dbraw/zinc/54/65/20/349546520.db2.gz PRZGZHQZJRFVOZ-YPMHNXCESA-N 1 0 276.336 2.957 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000595011203 349548490 /nfs/dbraw/zinc/54/84/90/349548490.db2.gz BPIZHCPZNAKWBC-NEPJUHHUSA-N 1 0 295.383 2.594 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O ZINC000595010655 349548570 /nfs/dbraw/zinc/54/85/70/349548570.db2.gz WBXJIGVYIBUIOQ-SRVKXCTJSA-N 1 0 296.367 2.661 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018999 349552412 /nfs/dbraw/zinc/55/24/12/349552412.db2.gz PDOLQTYLPWQNQD-IAQYHMDHSA-N 1 0 296.367 2.805 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021586 349553032 /nfs/dbraw/zinc/55/30/32/349553032.db2.gz PWRPGEPRNDJEAH-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000595026603 349555080 /nfs/dbraw/zinc/55/50/80/349555080.db2.gz MVLMJQFLABFIIS-NWDGAFQWSA-N 1 0 294.351 2.823 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594997003 349543384 /nfs/dbraw/zinc/54/33/84/349543384.db2.gz WXYMAQUZTOARQY-CABCVRRESA-N 1 0 278.352 2.985 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006600 349545086 /nfs/dbraw/zinc/54/50/86/349545086.db2.gz LOKRRNLCUDJMLX-LLVKDONJSA-N 1 0 282.340 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000595005789 349545235 /nfs/dbraw/zinc/54/52/35/349545235.db2.gz GHSRHJJVVMIJAT-DGCLKSJQSA-N 1 0 294.351 2.823 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)C1CCC1)CCC2 ZINC000595056625 349568741 /nfs/dbraw/zinc/56/87/41/349568741.db2.gz OIAVSQSOSXIUDR-HOTGVXAUSA-N 1 0 290.363 2.723 20 5 CFBDRO COC[C@@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000595059948 349570395 /nfs/dbraw/zinc/57/03/95/349570395.db2.gz JFXFHRPWUACTLW-CHWSQXEVSA-N 1 0 296.367 2.605 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000595039768 349560018 /nfs/dbraw/zinc/56/00/18/349560018.db2.gz CHUVDOFZCVQSPN-QMTHXVAHSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](C)OC ZINC000595038841 349560273 /nfs/dbraw/zinc/56/02/73/349560273.db2.gz NTJDBJJVHLDHMV-MNOVXSKESA-N 1 0 282.340 2.679 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000595089820 349577426 /nfs/dbraw/zinc/57/74/26/349577426.db2.gz MRHXPZOHBMBLCF-BPNCWPANSA-N 1 0 276.336 2.549 20 5 CFBDRO CC1CC[NH+](CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000067913032 346827912 /nfs/dbraw/zinc/82/79/12/346827912.db2.gz ATYCSKXFGOBVDS-UHFFFAOYSA-N 1 0 269.370 2.800 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595092781 349579325 /nfs/dbraw/zinc/57/93/25/349579325.db2.gz WNXWBQGAYBQURA-OCCSQVGLSA-N 1 0 292.379 2.962 20 5 CFBDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595110237 349583859 /nfs/dbraw/zinc/58/38/59/349583859.db2.gz ZHCAZVVAXKGNHA-RISCZKNCSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333338 349604684 /nfs/dbraw/zinc/60/46/84/349604684.db2.gz SDHLGGRPJWXGCO-SCZZXKLOSA-N 1 0 253.302 2.512 20 5 CFBDRO Cc1noc(C[N@H+]2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595317847 349601254 /nfs/dbraw/zinc/60/12/54/349601254.db2.gz FQLTYCSWWXYQTJ-NSHDSACASA-N 1 0 267.329 2.902 20 5 CFBDRO CCC1(CC)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595340399 349605489 /nfs/dbraw/zinc/60/54/89/349605489.db2.gz WDEZSCAGILDAOD-UHFFFAOYSA-N 1 0 267.329 2.903 20 5 CFBDRO Cc1noc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595410019 349617855 /nfs/dbraw/zinc/61/78/55/349617855.db2.gz ISZYFVOSRMGUCQ-RKDXNWHRSA-N 1 0 267.329 2.806 20 5 CFBDRO Cc1noc(C[NH2+][C@@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC000595429444 349623230 /nfs/dbraw/zinc/62/32/30/349623230.db2.gz NVUOCXAUYVXVDZ-QMMMGPOBSA-N 1 0 253.302 2.560 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595428260 349623465 /nfs/dbraw/zinc/62/34/65/349623465.db2.gz WUNYSUGOTVCKJA-JTQLQIEISA-N 1 0 267.329 2.759 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000595430128 349624010 /nfs/dbraw/zinc/62/40/10/349624010.db2.gz KTKBLLYHQYDTBX-CQSZACIVSA-N 1 0 296.342 2.765 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595432561 349624088 /nfs/dbraw/zinc/62/40/88/349624088.db2.gz SBXCVWXYRWERFC-PSASIEDQSA-N 1 0 253.302 2.560 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])s2)CCCC1 ZINC000068664696 346863214 /nfs/dbraw/zinc/86/32/14/346863214.db2.gz GSUDETAFXDHYHI-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595455195 349631674 /nfs/dbraw/zinc/63/16/74/349631674.db2.gz SWOYFWXRLJCFNI-NSHDSACASA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595454363 349631921 /nfs/dbraw/zinc/63/19/21/349631921.db2.gz KHKUYCQTBOFJLO-VHSXEESVSA-N 1 0 253.302 2.560 20 5 CFBDRO CC[C@@]1(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595457156 349632810 /nfs/dbraw/zinc/63/28/10/349632810.db2.gz ANCGPPPAUUUDTJ-AWEZNQCLSA-N 1 0 282.315 2.735 20 5 CFBDRO Cc1nc(CN(C)CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000595478154 349638473 /nfs/dbraw/zinc/63/84/73/349638473.db2.gz YEWGULXGUKHOHV-UHFFFAOYSA-N 1 0 289.335 2.874 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595521992 349649950 /nfs/dbraw/zinc/64/99/50/349649950.db2.gz HLBQFYNHMIMGAK-QMTHXVAHSA-N 1 0 282.315 2.591 20 5 CFBDRO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000595495172 349642300 /nfs/dbraw/zinc/64/23/00/349642300.db2.gz RKOZYZGKGFARDI-SNVBAGLBSA-N 1 0 270.304 2.591 20 5 CFBDRO CC(=O)c1ccc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913554 346876294 /nfs/dbraw/zinc/87/62/94/346876294.db2.gz SLKYWYMYPJYOHD-SNVBAGLBSA-N 1 0 291.351 2.692 20 5 CFBDRO CC(=O)c1ccc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913550 346876310 /nfs/dbraw/zinc/87/63/10/346876310.db2.gz SLKYWYMYPJYOHD-JTQLQIEISA-N 1 0 291.351 2.692 20 5 CFBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595505853 349645609 /nfs/dbraw/zinc/64/56/09/349645609.db2.gz VTVZTPRZVOMKGR-CQSZACIVSA-N 1 0 296.342 2.621 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595510853 349647026 /nfs/dbraw/zinc/64/70/26/349647026.db2.gz DIKHPGRDMOCTOW-CUOATXAZSA-N 1 0 296.342 2.883 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595535510 349653061 /nfs/dbraw/zinc/65/30/61/349653061.db2.gz GSCKTRXOSABSCK-CYBMUJFWSA-N 1 0 277.368 2.511 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595537011 349654185 /nfs/dbraw/zinc/65/41/85/349654185.db2.gz ZXDSWUVRKWPCND-LLVKDONJSA-N 1 0 283.397 2.572 20 5 CFBDRO CC[N@H+](CCSC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595570538 349662999 /nfs/dbraw/zinc/66/29/99/349662999.db2.gz WRWFYYXFSMIHRS-UHFFFAOYSA-N 1 0 272.345 2.919 20 5 CFBDRO Cc1c(CN2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595619054 349678921 /nfs/dbraw/zinc/67/89/21/349678921.db2.gz ZALKJMUHBGKTDB-INIZCTEOSA-N 1 0 290.363 2.904 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673031 349695777 /nfs/dbraw/zinc/69/57/77/349695777.db2.gz JHYMVQQLLGQXEK-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000595672278 349695886 /nfs/dbraw/zinc/69/58/86/349695886.db2.gz XYFYBPCIWJFJAQ-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595670804 349696261 /nfs/dbraw/zinc/69/62/61/349696261.db2.gz DLYXTDSQTFBIFR-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1c(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000595678660 349698252 /nfs/dbraw/zinc/69/82/52/349698252.db2.gz SIQLMVYWDGHIBV-WFASDCNBSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595704818 349711403 /nfs/dbraw/zinc/71/14/03/349711403.db2.gz WAEWALDVOFULDK-CZUORRHYSA-N 1 0 292.379 2.620 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1=CCSC1 ZINC000595888466 349761540 /nfs/dbraw/zinc/76/15/40/349761540.db2.gz MSNMNVJTOZNEEL-UHFFFAOYSA-N 1 0 294.376 2.579 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414300672 529666035 /nfs/dbraw/zinc/66/60/35/529666035.db2.gz AZYFIZHIPQVKTG-IVMMDQJWSA-N 1 0 294.395 2.911 20 5 CFBDRO Cc1cc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596105867 349795660 /nfs/dbraw/zinc/79/56/60/349795660.db2.gz OZSMEPVZPREYSE-UHFFFAOYSA-N 1 0 269.370 2.718 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000072521868 346927497 /nfs/dbraw/zinc/92/74/97/346927497.db2.gz GWECKNRLQNVSET-CQSZACIVSA-N 1 0 286.335 2.705 20 5 CFBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000596134941 349803620 /nfs/dbraw/zinc/80/36/20/349803620.db2.gz PSTLQRFYVFQKCE-LBPRGKRZSA-N 1 0 295.408 2.887 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596140651 349805710 /nfs/dbraw/zinc/80/57/10/349805710.db2.gz CYFKYVMRKMQNOV-NSHDSACASA-N 1 0 283.397 2.885 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072872199 346946190 /nfs/dbraw/zinc/94/61/90/346946190.db2.gz AHSXJHLWNRSXTN-TUAOUCFPSA-N 1 0 291.351 2.510 20 5 CFBDRO CO[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000072924711 346949049 /nfs/dbraw/zinc/94/90/49/346949049.db2.gz QNMRGHNPEHKFNU-PMGBHYCQSA-N 1 0 278.352 2.869 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596296409 349855489 /nfs/dbraw/zinc/85/54/89/349855489.db2.gz VLDUCMCGYLZQHF-UHFFFAOYSA-N 1 0 298.774 2.565 20 5 CFBDRO CC[C@@H]([NH2+]CCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000127075746 187280699 /nfs/dbraw/zinc/28/06/99/187280699.db2.gz HGPAHZAOVGDCTB-OAHLLOKOSA-N 1 0 288.351 2.922 20 5 CFBDRO CC1CC[NH+](CCSc2ncccc2[N+](=O)[O-])CC1 ZINC000127155670 187286155 /nfs/dbraw/zinc/28/61/55/187286155.db2.gz ICILPCNYFIBCBE-UHFFFAOYSA-N 1 0 281.381 2.814 20 5 CFBDRO Cc1ccnc(N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596489959 349918241 /nfs/dbraw/zinc/91/82/41/349918241.db2.gz YGYYGRCRMACBGG-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000075469648 347078540 /nfs/dbraw/zinc/07/85/40/347078540.db2.gz FIWLJTXTONQDCG-NSHDSACASA-N 1 0 251.330 2.737 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128246304 187359504 /nfs/dbraw/zinc/35/95/04/187359504.db2.gz QRHZJNMORNJYOH-OLZOCXBDSA-N 1 0 295.770 2.575 20 5 CFBDRO C[C@@H](CCO)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295099177 199344319 /nfs/dbraw/zinc/34/43/19/199344319.db2.gz KFVVMAJEEUMAPE-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC000596539656 349934755 /nfs/dbraw/zinc/93/47/55/349934755.db2.gz AXYBANNNAVYEAT-UHFFFAOYSA-N 1 0 266.345 2.522 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000128260322 187360430 /nfs/dbraw/zinc/36/04/30/187360430.db2.gz SKNOIDOAGOUNNA-KGLIPLIRSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000023745331 346253182 /nfs/dbraw/zinc/25/31/82/346253182.db2.gz PRHMZHHUDMLILK-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO COC[C@]1(C)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295133126 199363146 /nfs/dbraw/zinc/36/31/46/199363146.db2.gz OVRKHBXJCCXGJA-BIENSFFJSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295138984 199366941 /nfs/dbraw/zinc/36/69/41/199366941.db2.gz ZFJYIKDHPBBMBU-SECBINFHSA-N 1 0 286.759 2.887 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)C(C)C ZINC000030148764 346286556 /nfs/dbraw/zinc/28/65/56/346286556.db2.gz YYKANVNDNCCRRU-GFCCVEGCSA-N 1 0 293.367 2.818 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000039367135 346343286 /nfs/dbraw/zinc/34/32/86/346343286.db2.gz VPDBFTXQWHLCJI-MLGOLLRUSA-N 1 0 286.331 2.807 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C[NH2+]C ZINC000596655039 349969567 /nfs/dbraw/zinc/96/95/67/349969567.db2.gz SFEQDHHMOTYXIB-VXGBXAGGSA-N 1 0 297.424 2.663 20 5 CFBDRO Cc1cc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000051822840 346507139 /nfs/dbraw/zinc/50/71/39/346507139.db2.gz YWSDLFLOQMQYBW-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051159012 346500508 /nfs/dbraw/zinc/50/05/08/346500508.db2.gz HQUSSPMTNWTHDO-STQMWFEESA-N 1 0 278.352 2.952 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cs1 ZINC000054175132 346562243 /nfs/dbraw/zinc/56/22/43/346562243.db2.gz RAVCABCFQHPZAV-JTQLQIEISA-N 1 0 282.365 2.657 20 5 CFBDRO CC(C)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000053365375 346543999 /nfs/dbraw/zinc/54/39/99/346543999.db2.gz IOFRVRMGHGVIGU-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO CC(C)[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000060375286 346664469 /nfs/dbraw/zinc/66/44/69/346664469.db2.gz UHSZILCYVKYDPM-ZDUSSCGKSA-N 1 0 278.356 2.522 20 5 CFBDRO CCCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000057832147 346638123 /nfs/dbraw/zinc/63/81/23/346638123.db2.gz FNJOYFXNFGXMMY-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)CC1 ZINC000061758077 346682493 /nfs/dbraw/zinc/68/24/93/346682493.db2.gz REPRBEFWYZLACE-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO CC1CC[NH+](CCCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000066809101 346780292 /nfs/dbraw/zinc/78/02/92/346780292.db2.gz YONLSRZWZYKYTN-UHFFFAOYSA-N 1 0 292.383 2.914 20 5 CFBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccncc1[N+](=O)[O-] ZINC000066810501 346780839 /nfs/dbraw/zinc/78/08/39/346780839.db2.gz IXXMBOGQCBGVJB-UHFFFAOYSA-N 1 0 292.383 2.691 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065537836 346735753 /nfs/dbraw/zinc/73/57/53/346735753.db2.gz GJPCOLLWZNRDOD-LLVKDONJSA-N 1 0 264.325 2.704 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)C ZINC000065962471 346745415 /nfs/dbraw/zinc/74/54/15/346745415.db2.gz YGIVCSMENQKSDD-UHFFFAOYSA-N 1 0 252.314 2.691 20 5 CFBDRO CCO[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076407105 347138389 /nfs/dbraw/zinc/13/83/89/347138389.db2.gz HYBCNKNLKZAXHP-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000076177815 347127706 /nfs/dbraw/zinc/12/77/06/347127706.db2.gz HPEFTWNADZHBHC-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1cnc(NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078628873 347266066 /nfs/dbraw/zinc/26/60/66/347266066.db2.gz ATBLSVYYVAXIKD-LBPRGKRZSA-N 1 0 280.372 2.686 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000079936030 347332134 /nfs/dbraw/zinc/33/21/34/347332134.db2.gz QQENWVJMGQNASC-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000088699912 347507034 /nfs/dbraw/zinc/50/70/34/347507034.db2.gz QEMIBYNIXAKHIY-UHFFFAOYSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000088721378 347507864 /nfs/dbraw/zinc/50/78/64/347507864.db2.gz YXZZJYBCNVSDJJ-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000090800063 347557505 /nfs/dbraw/zinc/55/75/05/347557505.db2.gz CSVNLPHIJUWMEE-HIFPTAJRSA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000090909828 347561664 /nfs/dbraw/zinc/56/16/64/347561664.db2.gz GGEZBRNYXZNENU-LBPRGKRZSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C(C2CC2)C2CC2)c1 ZINC000090910200 347562804 /nfs/dbraw/zinc/56/28/04/347562804.db2.gz LGTKHNDUTVUWRI-UHFFFAOYSA-N 1 0 260.337 2.916 20 5 CFBDRO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000091484279 347590658 /nfs/dbraw/zinc/59/06/58/347590658.db2.gz OKHPIOWYHBZYJW-BXUZGUMPSA-N 1 0 263.341 2.514 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000091485398 347590748 /nfs/dbraw/zinc/59/07/48/347590748.db2.gz FGJYWUQCSTZGKN-HIFRSBDPSA-N 1 0 275.352 2.658 20 5 CFBDRO CC(C)c1ccc(CN2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000092457040 347625876 /nfs/dbraw/zinc/62/58/76/347625876.db2.gz LWAKTURWSAYZLD-GFCCVEGCSA-N 1 0 277.368 2.512 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000092622013 347635185 /nfs/dbraw/zinc/63/51/85/347635185.db2.gz JGRLMUHPRQEYOW-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000092626569 347635667 /nfs/dbraw/zinc/63/56/67/347635667.db2.gz RBKBLVGMIUCGGZ-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094088615 347690680 /nfs/dbraw/zinc/69/06/80/347690680.db2.gz REYSZNBAXPNIDQ-OAHLLOKOSA-N 1 0 283.331 2.954 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CO)CCCCC2)c1 ZINC000094512617 347695629 /nfs/dbraw/zinc/69/56/29/347695629.db2.gz MXIUCJRCBMAZBE-UHFFFAOYSA-N 1 0 278.352 2.627 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000119025708 347799639 /nfs/dbraw/zinc/79/96/39/347799639.db2.gz PCDXEDKNKGSSMN-LLVKDONJSA-N 1 0 264.325 2.733 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC=CC1 ZINC000122038891 347813936 /nfs/dbraw/zinc/81/39/36/347813936.db2.gz VJPGSRDCPWLSJG-NSHDSACASA-N 1 0 289.335 2.620 20 5 CFBDRO CCC[NH+]1CCC(CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000123616601 347820156 /nfs/dbraw/zinc/82/01/56/347820156.db2.gz JYLXTZFBVUYAHG-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000124512735 347824168 /nfs/dbraw/zinc/82/41/68/347824168.db2.gz XSYPZJHLBUKAAG-JOYOIKCWSA-N 1 0 283.759 2.560 20 5 CFBDRO CC[C@H](CSC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000132643837 347886161 /nfs/dbraw/zinc/88/61/61/347886161.db2.gz XETQNRYNIJXDCH-GFCCVEGCSA-N 1 0 268.382 2.869 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000142084196 347932660 /nfs/dbraw/zinc/93/26/60/347932660.db2.gz GCHBKVFPNWCQGP-TUAOUCFPSA-N 1 0 293.367 2.946 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000119603232 539594422 /nfs/dbraw/zinc/59/44/22/539594422.db2.gz MWSAICZHBASALX-NSHDSACASA-N 1 0 299.330 2.545 20 5 CFBDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000155474993 347987058 /nfs/dbraw/zinc/98/70/58/347987058.db2.gz KQFIHFISKNYAGY-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CO)c(Cl)c1 ZINC000157088230 347998249 /nfs/dbraw/zinc/99/82/49/347998249.db2.gz QBESTIFNJCHILS-ZDUSSCGKSA-N 1 0 298.770 2.985 20 5 CFBDRO CSCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154775656 347982813 /nfs/dbraw/zinc/98/28/13/347982813.db2.gz OHQYJAKINOGGFF-SNVBAGLBSA-N 1 0 254.355 2.917 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000215639288 348162880 /nfs/dbraw/zinc/16/28/80/348162880.db2.gz XHXGRSPERGTVRC-ZDUSSCGKSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087012304 179378899 /nfs/dbraw/zinc/37/88/99/179378899.db2.gz JOPQUYYJFZKUSS-BXUZGUMPSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251767291 348293878 /nfs/dbraw/zinc/29/38/78/348293878.db2.gz MGFFCLKHGFGCJD-YRGRVCCFSA-N 1 0 277.368 2.715 20 5 CFBDRO CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251798635 348294019 /nfs/dbraw/zinc/29/40/19/348294019.db2.gz NYTGZHXDQPRIBR-YWPYICTPSA-N 1 0 277.368 2.715 20 5 CFBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000312796975 348420082 /nfs/dbraw/zinc/42/00/82/348420082.db2.gz QJGLFCTVMMEYAY-QWRGUYRKSA-N 1 0 296.758 2.682 20 5 CFBDRO CC[NH+]1CCC(CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000312836205 348420491 /nfs/dbraw/zinc/42/04/91/348420491.db2.gz VDGHVYPSAQNVIH-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000317714274 348432853 /nfs/dbraw/zinc/43/28/53/348432853.db2.gz MHAADYSWRIPFNE-AWEZNQCLSA-N 1 0 298.342 2.903 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000320371462 348436937 /nfs/dbraw/zinc/43/69/37/348436937.db2.gz UAEJPSHGNZFKOR-LLVKDONJSA-N 1 0 294.351 2.662 20 5 CFBDRO Cc1cnc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000401095141 348577045 /nfs/dbraw/zinc/57/70/45/348577045.db2.gz CMGOOCGCGWPCPQ-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000402019400 348580005 /nfs/dbraw/zinc/58/00/05/348580005.db2.gz DRYCGSNUFYBVEI-PSASIEDQSA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000589584238 348839355 /nfs/dbraw/zinc/83/93/55/348839355.db2.gz LGZDQZFLODXPQV-BDAKNGLRSA-N 1 0 267.354 2.693 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1C[C@H]1c1ccccc1)CC2 ZINC000589742347 348854718 /nfs/dbraw/zinc/85/47/18/348854718.db2.gz LBEOBJGDDDZPGW-RDJZCZTQSA-N 1 0 295.342 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000590663650 348924880 /nfs/dbraw/zinc/92/48/80/348924880.db2.gz CXVLBXKBYGPHDJ-CABCVRRESA-N 1 0 290.363 2.760 20 5 CFBDRO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000590703958 348931596 /nfs/dbraw/zinc/93/15/96/348931596.db2.gz NWQJDRFCKBWYEL-JTQLQIEISA-N 1 0 281.381 2.577 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000591266010 349005222 /nfs/dbraw/zinc/00/52/22/349005222.db2.gz JPUFEUZSZCZSKX-SCZZXKLOSA-N 1 0 286.278 2.737 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000591266012 349005300 /nfs/dbraw/zinc/00/53/00/349005300.db2.gz JPUFEUZSZCZSKX-WPRPVWTQSA-N 1 0 286.278 2.737 20 5 CFBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000591348375 349011035 /nfs/dbraw/zinc/01/10/35/349011035.db2.gz ZWPGTTUBMZHPSO-STQMWFEESA-N 1 0 280.372 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000591444745 349022731 /nfs/dbraw/zinc/02/27/31/349022731.db2.gz LKVMYSJOHBOYAE-RYUDHWBXSA-N 1 0 293.342 2.560 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591451249 349023529 /nfs/dbraw/zinc/02/35/29/349023529.db2.gz VWEQSUXDJPCNIF-BBRMVZONSA-N 1 0 289.379 2.731 20 5 CFBDRO C[N@H+](CCC[C@@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000592120686 349085930 /nfs/dbraw/zinc/08/59/30/349085930.db2.gz JZWGMXDHVQRBSR-OAHLLOKOSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592356864 349108012 /nfs/dbraw/zinc/10/80/12/349108012.db2.gz IWRKAVNXFLTCIC-CABZTGNLSA-N 1 0 288.307 2.554 20 5 CFBDRO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000592202597 349100023 /nfs/dbraw/zinc/10/00/23/349100023.db2.gz ORLKCAIMRYWVBO-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592374959 349111307 /nfs/dbraw/zinc/11/13/07/349111307.db2.gz NDHDHZCAJVHCJN-MTENODCZSA-N 1 0 292.379 2.995 20 5 CFBDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592375525 349111992 /nfs/dbraw/zinc/11/19/92/349111992.db2.gz WOCHUPQZJQUWAT-OAHLLOKOSA-N 1 0 280.368 2.934 20 5 CFBDRO CCC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592993962 349182926 /nfs/dbraw/zinc/18/29/26/349182926.db2.gz LWASAXGRTJETEK-LLVKDONJSA-N 1 0 279.340 2.702 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000593071310 349201214 /nfs/dbraw/zinc/20/12/14/349201214.db2.gz SFQKSZAOGDICPU-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)COCC1CC1 ZINC000593681886 349309313 /nfs/dbraw/zinc/30/93/13/349309313.db2.gz LKBHYTJMBNEMGF-LBPRGKRZSA-N 1 0 278.352 2.808 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593681340 349309353 /nfs/dbraw/zinc/30/93/53/349309353.db2.gz FOHMAWARIXHIAF-LLVKDONJSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000593716048 349313780 /nfs/dbraw/zinc/31/37/80/349313780.db2.gz FNLWWKXYXDTKHZ-BTQDYEIMSA-N 1 0 276.336 2.874 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000594495250 349430327 /nfs/dbraw/zinc/43/03/27/349430327.db2.gz OXUBPQDOZWBXMI-PWSUYJOCSA-N 1 0 266.366 2.969 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502164 349432882 /nfs/dbraw/zinc/43/28/82/349432882.db2.gz YRDZTPPYLWNBPW-GYSYKLTISA-N 1 0 276.336 2.739 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000594502813 349433140 /nfs/dbraw/zinc/43/31/40/349433140.db2.gz PFTXJOIVZWXFRD-ZOWXZIJZSA-N 1 0 290.363 2.723 20 5 CFBDRO COCC1(C2CCC2)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597191514 350048679 /nfs/dbraw/zinc/04/86/79/350048679.db2.gz LIHLSWXXGFJGEV-UHFFFAOYSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271265047 191038075 /nfs/dbraw/zinc/03/80/75/191038075.db2.gz BIPZTGMZHKWJPW-ZJUUUORDSA-N 1 0 270.354 2.561 20 5 CFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414808289 233359791 /nfs/dbraw/zinc/35/97/91/233359791.db2.gz SCWWRMNZEBZEGX-HZMBPMFUSA-N 1 0 297.786 2.855 20 5 CFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598717312 350316478 /nfs/dbraw/zinc/31/64/78/350316478.db2.gz DRYPZSGTLZVNFH-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2n[nH]cc2C1 ZINC000598938596 350347446 /nfs/dbraw/zinc/34/74/46/350347446.db2.gz FEYNHLKJUJBBSF-KPKJPENVSA-N 1 0 298.346 2.780 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC=CC2)n1 ZINC000599063522 350368008 /nfs/dbraw/zinc/36/80/08/350368008.db2.gz CQINXVXAQHKKSO-KBPBESRZSA-N 1 0 290.367 2.831 20 5 CFBDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CO2 ZINC000598986034 350353940 /nfs/dbraw/zinc/35/39/40/350353940.db2.gz DVWMPYRQZSDLEH-AWEZNQCLSA-N 1 0 298.342 2.997 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OCC ZINC000598988867 350354970 /nfs/dbraw/zinc/35/49/70/350354970.db2.gz DEXJFSPJMZVMJB-NSHDSACASA-N 1 0 272.370 2.951 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599073712 350371788 /nfs/dbraw/zinc/37/17/88/350371788.db2.gz PGDZVCAZAZISPN-HONMWMINSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc[nH]c2=O)cccc1[N+](=O)[O-] ZINC000599082878 350372396 /nfs/dbraw/zinc/37/23/96/350372396.db2.gz CVZWPVJRYXTXKH-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599128303 350381298 /nfs/dbraw/zinc/38/12/98/350381298.db2.gz WDBVYWXTVXAABD-CYBMUJFWSA-N 1 0 290.367 2.809 20 5 CFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000599165235 350387558 /nfs/dbraw/zinc/38/75/58/350387558.db2.gz OIKSOPVZNTWVNN-NSHDSACASA-N 1 0 294.330 2.558 20 5 CFBDRO COc1ccc(C[NH+](C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000599596113 350462524 /nfs/dbraw/zinc/46/25/24/350462524.db2.gz ZTKNGMZPGZRECL-UHFFFAOYSA-N 1 0 262.309 2.730 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626088 350467094 /nfs/dbraw/zinc/46/70/94/350467094.db2.gz TVAKGXYMLQIKNZ-OZWUEAAUSA-N 1 0 294.351 2.505 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000599627239 350467100 /nfs/dbraw/zinc/46/71/00/350467100.db2.gz VOWAERDBZACVEO-UUIJZJDISA-N 1 0 278.352 2.539 20 5 CFBDRO CCOCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000107679504 186184302 /nfs/dbraw/zinc/18/43/02/186184302.db2.gz GLHCGMPNEYVGFX-UHFFFAOYSA-N 1 0 266.341 2.762 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600679685 350596472 /nfs/dbraw/zinc/59/64/72/350596472.db2.gz NHBKVKNTASBSGK-OCCSQVGLSA-N 1 0 291.395 2.948 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600708217 350598262 /nfs/dbraw/zinc/59/82/62/350598262.db2.gz KBZQKPCKDMLCMO-DOMZBBRYSA-N 1 0 289.379 2.838 20 5 CFBDRO C[C@@H]1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[NH2+]1 ZINC000600708224 350599466 /nfs/dbraw/zinc/59/94/66/350599466.db2.gz DQZHWHRAFDXUAV-AXAPSJFSSA-N 1 0 289.379 2.702 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000600712755 350600304 /nfs/dbraw/zinc/60/03/04/350600304.db2.gz XTDWHLSCPPGDKX-KWCYVHTRSA-N 1 0 277.368 2.694 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109544244 186260715 /nfs/dbraw/zinc/26/07/15/186260715.db2.gz OJSJJBNFRPQCBX-YPMHNXCESA-N 1 0 264.325 2.733 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOC2)c(Cl)c1 ZINC000109546633 186262316 /nfs/dbraw/zinc/26/23/16/186262316.db2.gz SBJJIXDBZQHEAB-SNVBAGLBSA-N 1 0 270.716 2.517 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000109333647 186247731 /nfs/dbraw/zinc/24/77/31/186247731.db2.gz UHRKOSUCMPYIPT-UHFFFAOYSA-N 1 0 266.341 2.843 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc2c(s1)C[NH2+]CC2 ZINC000600790553 350612924 /nfs/dbraw/zinc/61/29/24/350612924.db2.gz SJUTUFOXWAAKPS-UHFFFAOYSA-N 1 0 279.296 2.503 20 5 CFBDRO CC(C)C[C@H](CNc1ncc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000601101028 350668441 /nfs/dbraw/zinc/66/84/41/350668441.db2.gz GBSDVEAQUWRSPW-LLVKDONJSA-N 1 0 284.335 2.517 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000601229535 350704426 /nfs/dbraw/zinc/70/44/26/350704426.db2.gz SVQOYHXQFLGLLE-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CCOc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048961 186348509 /nfs/dbraw/zinc/34/85/09/186348509.db2.gz SDUARNFXPZIQNQ-LBPRGKRZSA-N 1 0 291.351 2.642 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000601149227 350681947 /nfs/dbraw/zinc/68/19/47/350681947.db2.gz HUYRILUVRSJTNF-COPLHBTASA-N 1 0 264.325 2.559 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111158811 186362753 /nfs/dbraw/zinc/36/27/53/186362753.db2.gz ARVVZRIPMKYELA-UHFFFAOYSA-N 1 0 286.759 2.889 20 5 CFBDRO CC(C)(F)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000601288474 350717653 /nfs/dbraw/zinc/71/76/53/350717653.db2.gz YRKSYHDFWARNGB-GHMZBOCLSA-N 1 0 284.335 2.613 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000601972885 350821560 /nfs/dbraw/zinc/82/15/60/350821560.db2.gz AAMAADXNSQLXGM-OKILXGFUSA-N 1 0 290.363 2.796 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973102 350821940 /nfs/dbraw/zinc/82/19/40/350821940.db2.gz KVRUBKZMDASRMI-RWMBFGLXSA-N 1 0 276.336 2.542 20 5 CFBDRO C[C@@H](O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111287976 186391056 /nfs/dbraw/zinc/39/10/56/186391056.db2.gz UUXUAOPJAITXOD-NWDGAFQWSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCC1 ZINC000111297193 186391999 /nfs/dbraw/zinc/39/19/99/186391999.db2.gz JJZCIZFMXFCRLO-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111297502 186392349 /nfs/dbraw/zinc/39/23/49/186392349.db2.gz QOCPOXALQGILME-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602522776 350914275 /nfs/dbraw/zinc/91/42/75/350914275.db2.gz WTQGCFPBGOCIFT-VIFPVBQESA-N 1 0 275.308 2.872 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CC=CCC3)nc2c1 ZINC000602551970 350921634 /nfs/dbraw/zinc/92/16/34/350921634.db2.gz LYLBIZHEVUOHFF-JTQLQIEISA-N 1 0 273.292 2.934 20 5 CFBDRO CO[C@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602558842 350924420 /nfs/dbraw/zinc/92/44/20/350924420.db2.gz FUAZDKKTTKQUNB-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602581590 350933387 /nfs/dbraw/zinc/93/33/87/350933387.db2.gz VANSMCMGWRJTMG-AWEZNQCLSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1ccc(NC(=O)[C@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000602433078 350880106 /nfs/dbraw/zinc/88/01/06/350880106.db2.gz PKZNDRVGMOUOKR-GFCCVEGCSA-N 1 0 279.340 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000602431714 350880309 /nfs/dbraw/zinc/88/03/09/350880309.db2.gz KGMZJDUZMMXYIE-GFCCVEGCSA-N 1 0 279.340 2.605 20 5 CFBDRO C[C@H](C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602456623 350889372 /nfs/dbraw/zinc/88/93/72/350889372.db2.gz BDSAYEPIEINKKR-GFCCVEGCSA-N 1 0 288.351 2.564 20 5 CFBDRO Cn1cc(C[N@H+](C)C2CCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000602471456 350894865 /nfs/dbraw/zinc/89/48/65/350894865.db2.gz CYXRBWOWMNIVAC-UHFFFAOYSA-N 1 0 280.372 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(CC(F)F)C2)cc1 ZINC000602693807 350982803 /nfs/dbraw/zinc/98/28/03/350982803.db2.gz VKNPGKZUVFWUCW-UHFFFAOYSA-N 1 0 270.279 2.724 20 5 CFBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000602707932 350991741 /nfs/dbraw/zinc/99/17/41/350991741.db2.gz CYKFDFHXRRGRMD-GFCCVEGCSA-N 1 0 270.279 2.772 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@]34C[C@@H]3CCC4)nc2c1 ZINC000602708123 350991851 /nfs/dbraw/zinc/99/18/51/350991851.db2.gz ZJUZQUPBMNILSK-XPTSAGLGSA-N 1 0 273.292 2.768 20 5 CFBDRO C[C@H]1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000602711935 350993933 /nfs/dbraw/zinc/99/39/33/350993933.db2.gz SNRJDIZNADJFOH-WFASDCNBSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCC[C@@H]1CCO1 ZINC000602606694 350942216 /nfs/dbraw/zinc/94/22/16/350942216.db2.gz WFDFZYVQJPPTKF-CYBMUJFWSA-N 1 0 298.770 2.949 20 5 CFBDRO CC(C)([NH2+]CCC[C@@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000602611352 350945202 /nfs/dbraw/zinc/94/52/02/350945202.db2.gz KJXJOUGGXMQXJL-CQSZACIVSA-N 1 0 278.352 2.989 20 5 CFBDRO Cc1c(C[NH2+]CCC[C@H]2CCO2)cccc1[N+](=O)[O-] ZINC000602634043 350953953 /nfs/dbraw/zinc/95/39/53/350953953.db2.gz NWTQVDHXMFLCEU-ZDUSSCGKSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602773582 351020314 /nfs/dbraw/zinc/02/03/14/351020314.db2.gz SIRDHTNVOZNZSL-UHFFFAOYSA-N 1 0 294.380 2.602 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)C1CCCC1 ZINC000602787872 351026168 /nfs/dbraw/zinc/02/61/68/351026168.db2.gz LQRLXXXTQLXSSP-UHFFFAOYSA-N 1 0 280.372 2.753 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000602788849 351026184 /nfs/dbraw/zinc/02/61/84/351026184.db2.gz VVBFGISRJRLGHG-AWEZNQCLSA-N 1 0 294.399 2.858 20 5 CFBDRO Cn1cc(C[NH2+][C@H](c2cccs2)C2CC2)c([N+](=O)[O-])n1 ZINC000602802212 351032071 /nfs/dbraw/zinc/03/20/71/351032071.db2.gz PTVYHMAJDRRCGU-LBPRGKRZSA-N 1 0 292.364 2.631 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000602804833 351032865 /nfs/dbraw/zinc/03/28/65/351032865.db2.gz LNJBJTZHGMAUHD-WFASDCNBSA-N 1 0 292.383 2.612 20 5 CFBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807478 351033971 /nfs/dbraw/zinc/03/39/71/351033971.db2.gz AYEZXNBYFYBLIR-AAEUAGOBSA-N 1 0 280.372 2.777 20 5 CFBDRO Cn1cc(C2=CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000602888211 351057956 /nfs/dbraw/zinc/05/79/56/351057956.db2.gz PYWZCELJXKUPEX-UHFFFAOYSA-N 1 0 298.346 2.618 20 5 CFBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])n1 ZINC000602904001 351061585 /nfs/dbraw/zinc/06/15/85/351061585.db2.gz HFACPFZCGKGSGY-CQSZACIVSA-N 1 0 292.383 2.873 20 5 CFBDRO CC[C@]1(O)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602741851 351010942 /nfs/dbraw/zinc/01/09/42/351010942.db2.gz WJACGAAHNSGADI-SBSDFTTDSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@](CO)([NH2+][C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965911 351073381 /nfs/dbraw/zinc/07/33/81/351073381.db2.gz RBCFIJUKCJNVLC-HIFRSBDPSA-N 1 0 276.336 2.501 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC000602997689 351088251 /nfs/dbraw/zinc/08/82/51/351088251.db2.gz OWKIGRCSUPWCIG-XHSDSOJGSA-N 1 0 290.363 2.720 20 5 CFBDRO CC[C@@H]([NH3+])c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248407 351124926 /nfs/dbraw/zinc/12/49/26/351124926.db2.gz CLHFJNQSHRUAQV-GXFFZTMASA-N 1 0 289.339 2.514 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000604408745 351211502 /nfs/dbraw/zinc/21/15/02/351211502.db2.gz GNOQENRZHCGVGK-SECBINFHSA-N 1 0 255.343 2.553 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409230 351211529 /nfs/dbraw/zinc/21/15/29/351211529.db2.gz GSMMXHPGUAKLAJ-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000604409322 351211610 /nfs/dbraw/zinc/21/16/10/351211610.db2.gz YMMARATZHRPLGV-JTQLQIEISA-N 1 0 269.370 2.943 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609258338 351493960 /nfs/dbraw/zinc/49/39/60/351493960.db2.gz SWMNFVODLGLEGN-HNNXBMFYSA-N 1 0 286.335 2.628 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000609350629 351496737 /nfs/dbraw/zinc/49/67/37/351496737.db2.gz FALYWJRQSBTNOQ-LLVKDONJSA-N 1 0 281.381 2.721 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609572407 351508676 /nfs/dbraw/zinc/50/86/76/351508676.db2.gz HLEYECFCSUCINE-LLVKDONJSA-N 1 0 292.335 2.502 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610133481 351535992 /nfs/dbraw/zinc/53/59/92/351535992.db2.gz RZJDVZKUPOJYLU-NWDGAFQWSA-N 1 0 264.325 2.704 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610282861 351549529 /nfs/dbraw/zinc/54/95/29/351549529.db2.gz AGZWSABDZPCAAV-NSHDSACASA-N 1 0 283.397 2.824 20 5 CFBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000610476415 351569195 /nfs/dbraw/zinc/56/91/95/351569195.db2.gz XMHPCJVDTOHADE-UHFFFAOYSA-N 1 0 284.331 2.574 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000610575729 351582793 /nfs/dbraw/zinc/58/27/93/351582793.db2.gz FLKKCZNDWDXLOE-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000610804405 351610622 /nfs/dbraw/zinc/61/06/22/351610622.db2.gz YZYXSDWKKKDRPV-VXGBXAGGSA-N 1 0 264.325 2.590 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000610807997 351610705 /nfs/dbraw/zinc/61/07/05/351610705.db2.gz GWIQTMKAIJAOHD-QWRGUYRKSA-N 1 0 281.381 2.577 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N(C)C ZINC000610810976 351610745 /nfs/dbraw/zinc/61/07/45/351610745.db2.gz HEYIBERWKQUYFA-NWDGAFQWSA-N 1 0 265.357 2.504 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CCOC3)CC2)cc1 ZINC000611177602 351647760 /nfs/dbraw/zinc/64/77/60/351647760.db2.gz IJFOQJBZXMFEQA-UHFFFAOYSA-N 1 0 290.363 2.640 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000610959388 351625324 /nfs/dbraw/zinc/62/53/24/351625324.db2.gz UGCXZQQMABJPMD-OLZOCXBDSA-N 1 0 294.351 2.651 20 5 CFBDRO COC(=O)CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611409406 351684058 /nfs/dbraw/zinc/68/40/58/351684058.db2.gz VXUCNIILUHMKEG-LLVKDONJSA-N 1 0 280.324 2.589 20 5 CFBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000611411731 351685149 /nfs/dbraw/zinc/68/51/49/351685149.db2.gz XDLCUYURCYLYHM-SECBINFHSA-N 1 0 267.354 2.553 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000611413077 351685873 /nfs/dbraw/zinc/68/58/73/351685873.db2.gz SWQNMSRCAPKETH-JTQLQIEISA-N 1 0 267.354 2.553 20 5 CFBDRO C[NH+](C)[C@]1(CNc2sccc2[N+](=O)[O-])CCSC1 ZINC000611413413 351686668 /nfs/dbraw/zinc/68/66/68/351686668.db2.gz PEXMDZSEUWPIOP-NSHDSACASA-N 1 0 287.410 2.506 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000611470264 351693963 /nfs/dbraw/zinc/69/39/63/351693963.db2.gz UCLIZGRSUYVTOH-QWRGUYRKSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000611470211 351694017 /nfs/dbraw/zinc/69/40/17/351694017.db2.gz MYIRZKIYKBLISS-WDEREUQCSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000611285454 351664530 /nfs/dbraw/zinc/66/45/30/351664530.db2.gz FAOZMAJUZLJTAH-GHMZBOCLSA-N 1 0 292.335 2.596 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000611336929 351669710 /nfs/dbraw/zinc/66/97/10/351669710.db2.gz ODAIIQQHTCRUGR-LLVKDONJSA-N 1 0 266.341 2.572 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH2+]C(C)C)CC2)n1 ZINC000611616173 351714289 /nfs/dbraw/zinc/71/42/89/351714289.db2.gz RQUMGCHMFNFFAP-UHFFFAOYSA-N 1 0 292.383 2.573 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000611617350 351715235 /nfs/dbraw/zinc/71/52/35/351715235.db2.gz YUQBYJDTCUGTEK-RYUDHWBXSA-N 1 0 290.367 2.644 20 5 CFBDRO CC(C)OCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000612593493 351841231 /nfs/dbraw/zinc/84/12/31/351841231.db2.gz FGAUCDVAAKKTPU-ALCCZGGFSA-N 1 0 264.325 2.623 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000122778783 187050773 /nfs/dbraw/zinc/05/07/73/187050773.db2.gz RHGNEKBPTYASOK-WDEREUQCSA-N 1 0 291.351 2.700 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000122925216 187059675 /nfs/dbraw/zinc/05/96/75/187059675.db2.gz BZPBSKLJKMNUNW-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122941809 187060967 /nfs/dbraw/zinc/06/09/67/187060967.db2.gz UWERNRBLYBGJRJ-NEPJUHHUSA-N 1 0 275.352 2.940 20 5 CFBDRO COc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000123007844 187065677 /nfs/dbraw/zinc/06/56/77/187065677.db2.gz VZIFHOUIJUECLU-PHIMTYICSA-N 1 0 264.325 2.976 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccn(C)n1 ZINC000612829110 351865843 /nfs/dbraw/zinc/86/58/43/351865843.db2.gz OIYVKGYUMAAGOX-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1c(C[N@@H+](C)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000124292518 187130911 /nfs/dbraw/zinc/13/09/11/187130911.db2.gz RBZBUCUURVBPAE-UHFFFAOYSA-N 1 0 278.352 2.640 20 5 CFBDRO CCC(=O)c1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291980509 198123732 /nfs/dbraw/zinc/12/37/32/198123732.db2.gz WZNRLDLGTTZFJG-NSHDSACASA-N 1 0 293.367 2.797 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000614976521 352138375 /nfs/dbraw/zinc/13/83/75/352138375.db2.gz HYFNCNBVFGYRLO-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO COc1ccc(C[NH2+]CC2CCSCC2)cc1[N+](=O)[O-] ZINC000134610923 187763714 /nfs/dbraw/zinc/76/37/14/187763714.db2.gz SPSJBLDUKCVBSD-UHFFFAOYSA-N 1 0 296.392 2.836 20 5 CFBDRO Cc1ccc(C[NH+]2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619726611 353060772 /nfs/dbraw/zinc/06/07/72/353060772.db2.gz PBKJMCKYDGHOJH-UHFFFAOYSA-N 1 0 290.363 2.762 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000152562203 188028595 /nfs/dbraw/zinc/02/85/95/188028595.db2.gz DPIJFRFCXHANEF-AAEUAGOBSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152817708 188045855 /nfs/dbraw/zinc/04/58/55/188045855.db2.gz VWXRPLIZYJCDDJ-TXEJJXNPSA-N 1 0 276.336 2.835 20 5 CFBDRO CCOCC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152998476 188058701 /nfs/dbraw/zinc/05/87/01/188058701.db2.gz COZLKRIHNUXVRX-NSHDSACASA-N 1 0 282.340 2.681 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000153131594 188066991 /nfs/dbraw/zinc/06/69/91/188066991.db2.gz MSCQCWGYSKXJPU-PHIMTYICSA-N 1 0 264.300 2.966 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCF)C2CC2)c1 ZINC000153321407 188076140 /nfs/dbraw/zinc/07/61/40/188076140.db2.gz FIMFBCYZIVJCKZ-UHFFFAOYSA-N 1 0 252.289 2.919 20 5 CFBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000153690932 188097583 /nfs/dbraw/zinc/09/75/83/188097583.db2.gz BYCRLZBNUBFYQA-QMMMGPOBSA-N 1 0 284.747 2.538 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CF)CC2)cc1 ZINC000295166643 199382678 /nfs/dbraw/zinc/38/26/78/199382678.db2.gz PLDMWXMSXWNISR-UHFFFAOYSA-N 1 0 266.316 2.819 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000007049199 539988569 /nfs/dbraw/zinc/98/85/69/539988569.db2.gz HBTBRDFFNWXQKY-GHMZBOCLSA-N 1 0 288.351 2.949 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000157220064 188303785 /nfs/dbraw/zinc/30/37/85/188303785.db2.gz XJZHIDHIBZAIHG-ZMLRMANQSA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1nc(NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000292664702 198368202 /nfs/dbraw/zinc/36/82/02/198368202.db2.gz CQVZFJCZYOIYNQ-UHFFFAOYSA-N 1 0 292.383 2.976 20 5 CFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158715564 188391072 /nfs/dbraw/zinc/39/10/72/188391072.db2.gz FGGCSQXOBILHOT-WFASDCNBSA-N 1 0 278.352 2.720 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H](O)C23CCCC3)cccc1[N+](=O)[O-] ZINC000292698056 198380979 /nfs/dbraw/zinc/38/09/79/198380979.db2.gz KPFYYIOWDWFISO-HNNXBMFYSA-N 1 0 290.363 2.783 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(C)(C)CO ZINC000295185784 199394984 /nfs/dbraw/zinc/39/49/84/199394984.db2.gz ITTVNLXMKVSTHM-GFCCVEGCSA-N 1 0 280.368 2.915 20 5 CFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000271821109 191348545 /nfs/dbraw/zinc/34/85/45/191348545.db2.gz MWZVIXPAZHSMGA-HRLNJXSSSA-N 1 0 276.336 2.623 20 5 CFBDRO C[N@H+]1CC=C(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271873987 191383238 /nfs/dbraw/zinc/38/32/38/191383238.db2.gz YRBKWIMKFGQRIV-UHFFFAOYSA-N 1 0 295.770 2.600 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC1(C)C ZINC000272007582 191460438 /nfs/dbraw/zinc/46/04/38/191460438.db2.gz FMJNLERLICTMQD-GWCFXTLKSA-N 1 0 291.351 2.700 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272700836 191872549 /nfs/dbraw/zinc/87/25/49/191872549.db2.gz YNKLICUOUOEXIJ-UWVGGRQHSA-N 1 0 286.759 2.804 20 5 CFBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000273008969 192017517 /nfs/dbraw/zinc/01/75/17/192017517.db2.gz BRMBXJQPMCSTQI-MNOVXSKESA-N 1 0 284.381 2.951 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC1=CC[N@H+](C)CC1 ZINC000273708949 192272403 /nfs/dbraw/zinc/27/24/03/192272403.db2.gz DXGVFDVUYLDKPN-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC3(C2)CCCCC3)c1 ZINC000273740380 192286223 /nfs/dbraw/zinc/28/62/23/192286223.db2.gz VJYQADYEKVQVSG-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO CCC[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274299973 192523110 /nfs/dbraw/zinc/52/31/10/192523110.db2.gz TUERYFHDGMCZLP-UHFFFAOYSA-N 1 0 270.304 2.974 20 5 CFBDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294104493 198910338 /nfs/dbraw/zinc/91/03/38/198910338.db2.gz JQCRSHWBVBJNIS-SSDOTTSWSA-N 1 0 271.267 2.625 20 5 CFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157363278 283268963 /nfs/dbraw/zinc/26/89/63/283268963.db2.gz XIEFMPIHUWNKSR-UHFFFAOYSA-N 1 0 288.351 2.704 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294679787 199130748 /nfs/dbraw/zinc/13/07/48/199130748.db2.gz BNDRPIVGBOKZAH-ZIAGYGMSSA-N 1 0 294.395 2.914 20 5 CFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294692438 199136543 /nfs/dbraw/zinc/13/65/43/199136543.db2.gz AFDZNBVNNYOTCD-CQSZACIVSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1nocc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000294823374 199199993 /nfs/dbraw/zinc/19/99/93/199199993.db2.gz XTSWRAXYGIFMOL-UHFFFAOYSA-N 1 0 275.308 2.566 20 5 CFBDRO Cc1cc(NCCC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420122335 236562248 /nfs/dbraw/zinc/56/22/48/236562248.db2.gz ACPLMEVFMXRGNH-UHFFFAOYSA-N 1 0 277.246 2.683 20 5 CFBDRO C[C@@H](C[NH3+])Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420237224 236582938 /nfs/dbraw/zinc/58/29/38/236582938.db2.gz BTLWNPOZNGKQQK-YFKPBYRVSA-N 1 0 264.112 2.661 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420276372 236597109 /nfs/dbraw/zinc/59/71/09/236597109.db2.gz HIPZSDVFOFUUIQ-NXEZZACHSA-N 1 0 267.304 2.663 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294927892 199255189 /nfs/dbraw/zinc/25/51/89/199255189.db2.gz ZFRQOMVTFYXFOT-DYLGSBMWSA-N 1 0 276.336 2.765 20 5 CFBDRO CON1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000421888605 236988858 /nfs/dbraw/zinc/98/88/58/236988858.db2.gz WTYBARGHDVYUFA-GFCCVEGCSA-N 1 0 293.367 2.580 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCn1ccnc1 ZINC000178436706 189116623 /nfs/dbraw/zinc/11/66/23/189116623.db2.gz XUBZVDKZXFSZOI-ZDUSSCGKSA-N 1 0 288.351 2.874 20 5 CFBDRO CC[N@H+](CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178572244 189127652 /nfs/dbraw/zinc/12/76/52/189127652.db2.gz FDZJGCVCIGWPLU-CQSZACIVSA-N 1 0 266.341 2.606 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179421209 189193016 /nfs/dbraw/zinc/19/30/16/189193016.db2.gz TVJKYNYAFAJLLW-YPMHNXCESA-N 1 0 294.351 2.823 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](N[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423219055 238285291 /nfs/dbraw/zinc/28/52/91/238285291.db2.gz VTDHJDRNVWHFDS-DOTOQJQBSA-N 1 0 297.358 2.636 20 5 CFBDRO C[C@H](C[NH3+])N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423327544 238379484 /nfs/dbraw/zinc/37/94/84/238379484.db2.gz NJQMYCGPWNJCEE-MLGOLLRUSA-N 1 0 285.347 2.621 20 5 CFBDRO CC(C)c1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000180853438 189280039 /nfs/dbraw/zinc/28/00/39/189280039.db2.gz NKSYDPBXIYPTRB-TZMCWYRMSA-N 1 0 292.379 2.921 20 5 CFBDRO CCOc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000301507777 201036383 /nfs/dbraw/zinc/03/63/83/201036383.db2.gz HNJZWCGIRAMTBS-CYBMUJFWSA-N 1 0 293.367 2.888 20 5 CFBDRO CCOc1cc(N2CCC[N@H+](CC)CC2)ccc1[N+](=O)[O-] ZINC000301540804 201056099 /nfs/dbraw/zinc/05/60/99/201056099.db2.gz RYRMDEFHZMCUSJ-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000301602103 201091110 /nfs/dbraw/zinc/09/11/10/201091110.db2.gz VYNRZXCFFDUSRL-NEPJUHHUSA-N 1 0 263.341 2.880 20 5 CFBDRO Cc1nc(N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301694175 201141449 /nfs/dbraw/zinc/14/14/49/201141449.db2.gz ZTMSTQQYSDPDDA-NSHDSACASA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000183365839 189356706 /nfs/dbraw/zinc/35/67/06/189356706.db2.gz NRPIBLSHTWENOW-UKRRQHHQSA-N 1 0 291.395 2.818 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183380713 189357598 /nfs/dbraw/zinc/35/75/98/189357598.db2.gz UGHYHOOGSJKEQO-LLVKDONJSA-N 1 0 288.351 2.796 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183381448 189357834 /nfs/dbraw/zinc/35/78/34/189357834.db2.gz ICTKPUYUXLYADQ-AWEZNQCLSA-N 1 0 291.395 2.677 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCSC2)c(Cl)c1 ZINC000183818519 189368898 /nfs/dbraw/zinc/36/88/98/189368898.db2.gz SRSOWILEKHDRDN-SECBINFHSA-N 1 0 272.757 2.843 20 5 CFBDRO Cc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)ncn1 ZINC000301753572 201176142 /nfs/dbraw/zinc/17/61/42/201176142.db2.gz BZKOBCNUSZDJGX-UHFFFAOYSA-N 1 0 284.319 2.862 20 5 CFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301798649 201204130 /nfs/dbraw/zinc/20/41/30/201204130.db2.gz RPWYCUMOHOZNIA-JTQLQIEISA-N 1 0 299.321 2.651 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184671632 189391789 /nfs/dbraw/zinc/39/17/89/189391789.db2.gz MGADLRSGBXICPX-ABAIWWIYSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184671613 189391885 /nfs/dbraw/zinc/39/18/85/189391885.db2.gz MGADLRSGBXICPX-NHYWBVRUSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000301918929 201263334 /nfs/dbraw/zinc/26/33/34/201263334.db2.gz BVDGXJGPFGKOHH-LLVKDONJSA-N 1 0 283.397 2.824 20 5 CFBDRO COc1cccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000185524542 189415650 /nfs/dbraw/zinc/41/56/50/189415650.db2.gz OFVJHIYHDRUCGH-RYUDHWBXSA-N 1 0 293.367 2.888 20 5 CFBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000302160996 201374177 /nfs/dbraw/zinc/37/41/77/201374177.db2.gz PMWLZMXEOGHQLE-UHFFFAOYSA-N 1 0 279.315 2.798 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000275426211 193031666 /nfs/dbraw/zinc/03/16/66/193031666.db2.gz HZQBPMOQOAXIJU-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO COc1cc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000275520053 193065739 /nfs/dbraw/zinc/06/57/39/193065739.db2.gz WMCQRIZYOYUJAH-UHFFFAOYSA-N 1 0 297.330 2.639 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443065921 241035785 /nfs/dbraw/zinc/03/57/85/241035785.db2.gz GWPPWVJVOLKEQS-GXTWGEPZSA-N 1 0 278.352 2.903 20 5 CFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000443514891 241070514 /nfs/dbraw/zinc/07/05/14/241070514.db2.gz YZOKQFTYNVYELG-LLVKDONJSA-N 1 0 298.412 2.540 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443793707 241088590 /nfs/dbraw/zinc/08/85/90/241088590.db2.gz YIRACXHQPBWVOH-NORZTCDRSA-N 1 0 292.379 2.885 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC000443974230 241100906 /nfs/dbraw/zinc/10/09/06/241100906.db2.gz TZUJTLMOFFMOEU-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCO1 ZINC000449096610 241691859 /nfs/dbraw/zinc/69/18/59/241691859.db2.gz JBAJKGBFIQPPCE-OCCSQVGLSA-N 1 0 278.352 2.685 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159271 241732218 /nfs/dbraw/zinc/73/22/18/241732218.db2.gz YYHRSZAJHZWKGK-WBMJQRKESA-N 1 0 294.395 2.913 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CCCO ZINC000449407581 241911059 /nfs/dbraw/zinc/91/10/59/241911059.db2.gz ILHFZOKFOYWLGT-CKXDQPNJSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[C@@](C)(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449479754 241964146 /nfs/dbraw/zinc/96/41/46/241964146.db2.gz WCYVZRJKVRPFJF-DOMZBBRYSA-N 1 0 280.368 2.931 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000449626479 242074332 /nfs/dbraw/zinc/07/43/32/242074332.db2.gz WQMFRYCUYOYYGE-NSHDSACASA-N 1 0 283.397 2.572 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000449558364 242029060 /nfs/dbraw/zinc/02/90/60/242029060.db2.gz XFVWVIXDLREVIR-STQMWFEESA-N 1 0 278.352 2.985 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCOC1 ZINC000449690395 242111678 /nfs/dbraw/zinc/11/16/78/242111678.db2.gz PEEAFMLPGRWVKE-KGLIPLIRSA-N 1 0 292.379 2.932 20 5 CFBDRO COCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000449738825 242127664 /nfs/dbraw/zinc/12/76/64/242127664.db2.gz FZCSKMLBQXZQCS-UHFFFAOYSA-N 1 0 284.381 2.953 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNCC[N@@H+]1CCCC1(C)C ZINC000449784059 242162655 /nfs/dbraw/zinc/16/26/55/242162655.db2.gz UUYXOAGDRGGLLK-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000450274380 242334779 /nfs/dbraw/zinc/33/47/79/242334779.db2.gz GVYGYESQIWOBAU-NSHDSACASA-N 1 0 298.346 2.792 20 5 CFBDRO COC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000275906852 193159130 /nfs/dbraw/zinc/15/91/30/193159130.db2.gz TYCXCLQPLZNLSU-HNNXBMFYSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1C ZINC000452043051 243022031 /nfs/dbraw/zinc/02/20/31/243022031.db2.gz PEICMZZETSPYIA-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453405658 243560784 /nfs/dbraw/zinc/56/07/84/243560784.db2.gz JTUXVLSQHGXTQM-MBNYWOFBSA-N 1 0 278.352 2.683 20 5 CFBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000330680269 203111596 /nfs/dbraw/zinc/11/15/96/203111596.db2.gz FMOQFPNWYNVKRM-LBPRGKRZSA-N 1 0 284.381 2.951 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000276104613 193214999 /nfs/dbraw/zinc/21/49/99/193214999.db2.gz WVRLHLMWVVRJDW-CTYIDZIISA-N 1 0 278.352 2.639 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863675 203328006 /nfs/dbraw/zinc/32/80/06/203328006.db2.gz TXLOMKJWRBFWGQ-WCQYABFASA-N 1 0 296.342 2.717 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000276176580 193234975 /nfs/dbraw/zinc/23/49/75/193234975.db2.gz DQEJFFHSAUKKIR-UHFFFAOYSA-N 1 0 266.341 2.626 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNCc1cnc(C2CC2)nc1 ZINC000459399319 245165243 /nfs/dbraw/zinc/16/52/43/245165243.db2.gz YVWGLNAMKDEQNW-UHFFFAOYSA-N 1 0 284.319 2.552 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459629332 245250404 /nfs/dbraw/zinc/25/04/04/245250404.db2.gz HBRUTKCDHJADGT-OTVXOJSOSA-N 1 0 278.352 2.949 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000459640619 245256188 /nfs/dbraw/zinc/25/61/88/245256188.db2.gz XISJBBHSXGXPDG-BETUJISGSA-N 1 0 294.351 2.649 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459645575 245259004 /nfs/dbraw/zinc/25/90/04/245259004.db2.gz LOYHUQKUHORMEM-CCSSQEOUSA-N 1 0 276.336 2.765 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000459758302 245308050 /nfs/dbraw/zinc/30/80/50/245308050.db2.gz LNJNZQWMOKQCJL-KGLIPLIRSA-N 1 0 294.326 2.781 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000459767983 245313894 /nfs/dbraw/zinc/31/38/94/245313894.db2.gz FTIOZHZBHSHFDQ-AGIUHOORSA-N 1 0 276.336 2.882 20 5 CFBDRO CCC[C@@H]([NH2+]CCOC)c1cccc([N+](=O)[O-])c1 ZINC000020085629 372226790 /nfs/dbraw/zinc/22/67/90/372226790.db2.gz WSJSCLJULKHSQV-CYBMUJFWSA-N 1 0 252.314 2.672 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037154554 372657507 /nfs/dbraw/zinc/65/75/07/372657507.db2.gz GJWAJRROLRKQAP-VXGBXAGGSA-N 1 0 274.324 2.531 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000037647828 372680785 /nfs/dbraw/zinc/68/07/85/372680785.db2.gz FWAZOWMWCGQXFI-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000037647795 372681367 /nfs/dbraw/zinc/68/13/67/372681367.db2.gz HMGFDOTZDNLASQ-VIFPVBQESA-N 1 0 269.732 2.612 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649783 372685931 /nfs/dbraw/zinc/68/59/31/372685931.db2.gz UTUCNIABPYFHTA-LBPRGKRZSA-N 1 0 275.352 2.799 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000037738366 372694755 /nfs/dbraw/zinc/69/47/55/372694755.db2.gz KLIITKHKTRTGFJ-VXGBXAGGSA-N 1 0 264.325 2.590 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCCCC2)cc1 ZINC000037894570 372732519 /nfs/dbraw/zinc/73/25/19/372732519.db2.gz ADFIHRJJXAJCMW-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000041159030 372821646 /nfs/dbraw/zinc/82/16/46/372821646.db2.gz OUMFZNVBFXLETQ-OAHLLOKOSA-N 1 0 288.351 2.959 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045656986 373024879 /nfs/dbraw/zinc/02/48/79/373024879.db2.gz AVULJBRTBIAIKZ-MNOVXSKESA-N 1 0 252.314 2.528 20 5 CFBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000047452715 373093846 /nfs/dbraw/zinc/09/38/46/373093846.db2.gz AOZPSYBTCUYLHG-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCC2)ccc2ncccc21 ZINC000048334726 373162834 /nfs/dbraw/zinc/16/28/34/373162834.db2.gz AUVLOOWRCSRGDD-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCC3)ccc2c1 ZINC000048334721 373163452 /nfs/dbraw/zinc/16/34/52/373163452.db2.gz RNGBLGYSNZWAPN-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000047923096 373132594 /nfs/dbraw/zinc/13/25/94/373132594.db2.gz HFRQLHYOALLAOP-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccsc2)cc1[N+](=O)[O-] ZINC000049181595 373275829 /nfs/dbraw/zinc/27/58/29/373275829.db2.gz XXHQZCAOCAWSNC-UHFFFAOYSA-N 1 0 292.360 2.997 20 5 CFBDRO CC[C@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075140 373262557 /nfs/dbraw/zinc/26/25/57/373262557.db2.gz UAWVUNHWBXEADC-AWEZNQCLSA-N 1 0 274.324 2.532 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049093622 373265748 /nfs/dbraw/zinc/26/57/48/373265748.db2.gz SDFMMLSOGHXPAV-NWDGAFQWSA-N 1 0 266.341 2.998 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000049100002 373270772 /nfs/dbraw/zinc/27/07/72/373270772.db2.gz MJWMWXDEHFVIED-SNVBAGLBSA-N 1 0 269.732 2.754 20 5 CFBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963640 373337932 /nfs/dbraw/zinc/33/79/32/373337932.db2.gz DLDDOHGYRDNLJV-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444837 373379031 /nfs/dbraw/zinc/37/90/31/373379031.db2.gz UMXWVKKNILRHEQ-LBPRGKRZSA-N 1 0 283.759 2.561 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994670 373427293 /nfs/dbraw/zinc/42/72/93/373427293.db2.gz YYDQXUIGHIMDSN-GDLCADMTSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000052178497 373442842 /nfs/dbraw/zinc/44/28/42/373442842.db2.gz LGORAQAFNJHDCJ-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000058003336 373622596 /nfs/dbraw/zinc/62/25/96/373622596.db2.gz ZOGGPBQBDPMGKH-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2nccs2)cc1[N+](=O)[O-] ZINC000060390889 373694764 /nfs/dbraw/zinc/69/47/64/373694764.db2.gz WETWWQTWGNURHJ-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CCCC[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351262 373758951 /nfs/dbraw/zinc/75/89/51/373758951.db2.gz ZDJONNBHBPYLLF-AWEZNQCLSA-N 1 0 266.341 2.750 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000065586733 373889979 /nfs/dbraw/zinc/88/99/79/373889979.db2.gz GICCBMWRDQYQFX-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000068451030 374030289 /nfs/dbraw/zinc/03/02/89/374030289.db2.gz SHLTWBOBLJGXQT-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337312399 220246734 /nfs/dbraw/zinc/24/67/34/220246734.db2.gz VQAFGCFGTBARED-NEPJUHHUSA-N 1 0 286.278 2.845 20 5 CFBDRO Cc1nccn1CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000069754272 374093782 /nfs/dbraw/zinc/09/37/82/374093782.db2.gz JQEPUBHSMHFDGZ-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000338339967 220252353 /nfs/dbraw/zinc/25/23/53/220252353.db2.gz BRMXLZJIADMCQZ-LLVKDONJSA-N 1 0 280.372 2.729 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000072722121 374279150 /nfs/dbraw/zinc/27/91/50/374279150.db2.gz TWYBYKQCUVKISD-UHFFFAOYSA-N 1 0 297.742 2.671 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249049833 189957379 /nfs/dbraw/zinc/95/73/79/189957379.db2.gz XFAPDTPVBWSMSK-MKBNYLNASA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079735438 374628070 /nfs/dbraw/zinc/62/80/70/374628070.db2.gz BMIQOTVZIGUFCD-YPMHNXCESA-N 1 0 266.341 2.979 20 5 CFBDRO COCCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092536991 375119632 /nfs/dbraw/zinc/11/96/32/375119632.db2.gz OSKUBFGZDCEGAC-VMPITWQZSA-N 1 0 264.325 2.576 20 5 CFBDRO CCCC[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097698 375186088 /nfs/dbraw/zinc/18/60/88/375186088.db2.gz VJDIWQSMYCYPRM-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000093232543 375198338 /nfs/dbraw/zinc/19/83/38/375198338.db2.gz XFYKKZPZUHGPLQ-CHWSQXEVSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)c1 ZINC000094659339 375370923 /nfs/dbraw/zinc/37/09/23/375370923.db2.gz MOGWPCWNHZQUKC-UHFFFAOYSA-N 1 0 265.357 2.903 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)c1 ZINC000094659568 375373414 /nfs/dbraw/zinc/37/34/14/375373414.db2.gz UOYOGFWZQOFZNW-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCO1 ZINC000094774514 375377307 /nfs/dbraw/zinc/37/73/07/375377307.db2.gz DQQUBHGNANUMMJ-LBPRGKRZSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000094774956 375379467 /nfs/dbraw/zinc/37/94/67/375379467.db2.gz FOEJQKQTQCQUAU-AOOOYVTPSA-N 1 0 252.289 2.822 20 5 CFBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000507151662 247166174 /nfs/dbraw/zinc/16/61/74/247166174.db2.gz JCKSTZAXVVHSJT-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1cc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000507223233 247169948 /nfs/dbraw/zinc/16/99/48/247169948.db2.gz YUGBUQHHSLLJDL-LLVKDONJSA-N 1 0 275.308 2.785 20 5 CFBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000111365542 375840202 /nfs/dbraw/zinc/84/02/02/375840202.db2.gz CIBQLELREQNGPG-UHFFFAOYSA-N 1 0 288.351 2.543 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111404194 375844910 /nfs/dbraw/zinc/84/49/10/375844910.db2.gz SICAVVFYFPLDCU-LLVKDONJSA-N 1 0 272.370 2.543 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000112567696 375931964 /nfs/dbraw/zinc/93/19/64/375931964.db2.gz WVUJNUIVLCTIAM-UHFFFAOYSA-N 1 0 280.368 2.825 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000451809625 383713398 /nfs/dbraw/zinc/71/33/98/383713398.db2.gz JHKCIIVUOGTILA-CQSZACIVSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000119665378 376448260 /nfs/dbraw/zinc/44/82/60/376448260.db2.gz GYMQBOHDUQHJDC-RWMBFGLXSA-N 1 0 278.352 2.979 20 5 CFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[C@@H]1O ZINC000120766076 376685917 /nfs/dbraw/zinc/68/59/17/376685917.db2.gz BRTCBZVQDQSGOC-KGLIPLIRSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCC1 ZINC000121010772 376743514 /nfs/dbraw/zinc/74/35/14/376743514.db2.gz YAHOKERWZDDSAY-CYBMUJFWSA-N 1 0 277.368 2.683 20 5 CFBDRO CC[NH+](CC)CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284164987 284604553 /nfs/dbraw/zinc/60/45/53/284604553.db2.gz QCHVZBJODKBOKR-LBPRGKRZSA-N 1 0 294.399 2.560 20 5 CFBDRO C[N@H+](CCc1ccncc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000121611416 376869143 /nfs/dbraw/zinc/86/91/43/376869143.db2.gz YSSOZCYMRWISFK-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129652561 377456684 /nfs/dbraw/zinc/45/66/84/377456684.db2.gz FMZGJFMWDRISAE-GDLCADMTSA-N 1 0 278.352 2.713 20 5 CFBDRO CC[NH+](CC)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129755501 377470293 /nfs/dbraw/zinc/47/02/93/377470293.db2.gz KAUVNFCOBYLKPD-UHFFFAOYSA-N 1 0 286.763 2.787 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCC1 ZINC000130581243 377580298 /nfs/dbraw/zinc/58/02/98/377580298.db2.gz KJOOHTOJTIKQQL-SNVBAGLBSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1cc(C)n(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000130659170 377589606 /nfs/dbraw/zinc/58/96/06/377589606.db2.gz KJYOTVBYWYUCCX-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000130984525 377642292 /nfs/dbraw/zinc/64/22/92/377642292.db2.gz IQYISHUSWBUKHE-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000131014266 377646715 /nfs/dbraw/zinc/64/67/15/377646715.db2.gz OAORCKBGPBEYNO-AWEZNQCLSA-N 1 0 292.314 2.671 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131272695 377686260 /nfs/dbraw/zinc/68/62/60/377686260.db2.gz BFRBUKGUESFXLL-JSGCOSHPSA-N 1 0 264.325 2.815 20 5 CFBDRO COc1cccc(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000134929577 378064968 /nfs/dbraw/zinc/06/49/68/378064968.db2.gz HYHAABWPPQERNP-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135310347 378115890 /nfs/dbraw/zinc/11/58/90/378115890.db2.gz SILDKIDXHDWQHA-ZDUSSCGKSA-N 1 0 280.372 2.692 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2CSC)cc1[N+](=O)[O-] ZINC000135438364 378130965 /nfs/dbraw/zinc/13/09/65/378130965.db2.gz JRHWGCKUWXYOJG-LBPRGKRZSA-N 1 0 296.392 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000153100933 378473699 /nfs/dbraw/zinc/47/36/99/378473699.db2.gz VQEUOOZZSRCVGZ-YPMHNXCESA-N 1 0 264.325 2.733 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000153061568 378471690 /nfs/dbraw/zinc/47/16/90/378471690.db2.gz QPDAMBOPGSFDJW-LSDHHAIUSA-N 1 0 290.363 2.685 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)CCO)cc1[N+](=O)[O-] ZINC000153936413 378523802 /nfs/dbraw/zinc/52/38/02/378523802.db2.gz VVJACBZTTLNMEK-DGCLKSJQSA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1ccncc1)C2 ZINC000153349080 378487489 /nfs/dbraw/zinc/48/74/89/378487489.db2.gz CDMUKOHINNQYTP-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330368047 378536827 /nfs/dbraw/zinc/53/68/27/378536827.db2.gz KACUSLSIYVTRMW-KOLCDFICSA-N 1 0 295.314 2.870 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000331008648 378614451 /nfs/dbraw/zinc/61/44/51/378614451.db2.gz IGXCEFWNTKVZPO-AOOOYVTPSA-N 1 0 295.314 2.545 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)c1ccccc1[N+](=O)[O-] ZINC000331017629 378616169 /nfs/dbraw/zinc/61/61/69/378616169.db2.gz YVDWCYDRBXWYIF-TUKIKUTGSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331269938 378660847 /nfs/dbraw/zinc/66/08/47/378660847.db2.gz AETOWBKPFRVKEV-LALPHHSUSA-N 1 0 278.352 2.576 20 5 CFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331270847 378661593 /nfs/dbraw/zinc/66/15/93/378661593.db2.gz AVCSKJVTIPPCFY-TYNCELHUSA-N 1 0 278.352 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1F ZINC000159786473 378730758 /nfs/dbraw/zinc/73/07/58/378730758.db2.gz WJKDOGIHTFTAMD-RYUDHWBXSA-N 1 0 264.300 2.966 20 5 CFBDRO COc1ccc(C[NH2+]Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000162778563 378933736 /nfs/dbraw/zinc/93/37/36/378933736.db2.gz GDIJVFJQAWKWID-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000163096891 378953861 /nfs/dbraw/zinc/95/38/61/378953861.db2.gz ZXPLYPOGAUCXCL-OAHLLOKOSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](C)C1 ZINC000170770671 379153991 /nfs/dbraw/zinc/15/39/91/379153991.db2.gz SNKZXRDNIJAICU-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173423091 379735863 /nfs/dbraw/zinc/73/58/63/379735863.db2.gz VJMRCKHKMKROSY-YBTHPKLGSA-N 1 0 298.408 2.793 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000432368932 383742428 /nfs/dbraw/zinc/74/24/28/383742428.db2.gz OUYUWCPOPQVKLL-FAQJLRJSSA-N 1 0 276.336 2.623 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2C2CCCCC2)n1 ZINC000176212547 380195178 /nfs/dbraw/zinc/19/51/78/380195178.db2.gz CTGGTVGKTBGWFV-AWEZNQCLSA-N 1 0 292.383 2.836 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@H+](CC2CC2)C2CCCCC2)n1 ZINC000176228203 380199927 /nfs/dbraw/zinc/19/99/27/380199927.db2.gz OKGBCUPTTXZACR-UHFFFAOYSA-N 1 0 292.383 2.836 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177888961 380390738 /nfs/dbraw/zinc/39/07/38/380390738.db2.gz JEHOJJIWAPYOPF-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178320706 380436770 /nfs/dbraw/zinc/43/67/70/380436770.db2.gz DBCSDQYFHIASTQ-MEWXFMAXSA-N 1 0 290.363 2.825 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295358076 380807541 /nfs/dbraw/zinc/80/75/41/380807541.db2.gz ZGQBOYRLLLIALA-OAHLLOKOSA-N 1 0 292.379 2.886 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000353771984 380840228 /nfs/dbraw/zinc/84/02/28/380840228.db2.gz YERUQAJYENBSEK-LBPRGKRZSA-N 1 0 266.341 2.840 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000181650614 380853783 /nfs/dbraw/zinc/85/37/83/380853783.db2.gz JTDIAZOQMJEFBE-UHFFFAOYSA-N 1 0 297.330 2.793 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000341271570 380888158 /nfs/dbraw/zinc/88/81/58/380888158.db2.gz VNAOQVKDEQMRRK-UKRRQHHQSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1cccnc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000404843690 380906240 /nfs/dbraw/zinc/90/62/40/380906240.db2.gz COJVPGKDQDIVLF-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000287842847 380954854 /nfs/dbraw/zinc/95/48/54/380954854.db2.gz QTPGEJSYGHNFGU-LLVKDONJSA-N 1 0 296.342 2.859 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287867252 380961744 /nfs/dbraw/zinc/96/17/44/380961744.db2.gz NGEDCIOUTJLWJF-GFCCVEGCSA-N 1 0 292.383 2.567 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000182070137 380983217 /nfs/dbraw/zinc/98/32/17/380983217.db2.gz DPQLEGPBQJVICD-GFCCVEGCSA-N 1 0 284.743 2.859 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000295555476 380938823 /nfs/dbraw/zinc/93/88/23/380938823.db2.gz YRGPTCVWOGIWTH-AWEZNQCLSA-N 1 0 290.363 2.829 20 5 CFBDRO Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC000341445362 381018118 /nfs/dbraw/zinc/01/81/18/381018118.db2.gz BWNAZKUBXYEIHH-UHFFFAOYSA-N 1 0 296.286 2.803 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182118882 380993554 /nfs/dbraw/zinc/99/35/54/380993554.db2.gz YIPSQTNESCXIIX-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO COC[C@H]1CC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000354056723 381050452 /nfs/dbraw/zinc/05/04/52/381050452.db2.gz MEIDVFYZCFEKMP-INDWDQIESA-N 1 0 276.336 2.719 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411935431 381062559 /nfs/dbraw/zinc/06/25/59/381062559.db2.gz HZOJHTRLZLEHTM-DOTOQJQBSA-N 1 0 298.342 2.903 20 5 CFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411946729 381066593 /nfs/dbraw/zinc/06/65/93/381066593.db2.gz LLGMQRZEDLNYLO-WBMJQRKESA-N 1 0 292.379 2.931 20 5 CFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000411952577 381068866 /nfs/dbraw/zinc/06/88/66/381068866.db2.gz REIBVZYUMXZTOQ-TVQRCGJNSA-N 1 0 284.381 2.950 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000182345813 381068912 /nfs/dbraw/zinc/06/89/12/381068912.db2.gz ALFXXEBIRUSWFR-HUUCEWRRSA-N 1 0 294.351 2.521 20 5 CFBDRO CO[C@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000182245260 381036971 /nfs/dbraw/zinc/03/69/71/381036971.db2.gz QOWJYJDBAHIDDB-LLVKDONJSA-N 1 0 264.325 2.594 20 5 CFBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279335790 194389926 /nfs/dbraw/zinc/38/99/26/194389926.db2.gz PFYNQCLKXURFIT-BLLLJJGKSA-N 1 0 290.363 2.637 20 5 CFBDRO CO[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347375973 381107620 /nfs/dbraw/zinc/10/76/20/381107620.db2.gz SPVDGYWFENMQRB-JQVXPOPVSA-N 1 0 276.336 2.719 20 5 CFBDRO CO[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347375977 381108343 /nfs/dbraw/zinc/10/83/43/381108343.db2.gz SPVDGYWFENMQRB-PINLSGDHSA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCC2)CC1 ZINC000295891973 381139793 /nfs/dbraw/zinc/13/97/93/381139793.db2.gz DOSGGJLZYWZSJA-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000183040681 381201300 /nfs/dbraw/zinc/20/13/00/381201300.db2.gz OJPZAOPTGWOCDQ-VXGBXAGGSA-N 1 0 293.367 2.948 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC000359084499 381255279 /nfs/dbraw/zinc/25/52/79/381255279.db2.gz RBUKELKIBGVHPR-ZWNOBZJWSA-N 1 0 290.367 2.501 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000359086609 381256971 /nfs/dbraw/zinc/25/69/71/381256971.db2.gz VXRFMZDNKOHADZ-STQMWFEESA-N 1 0 290.367 2.645 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000359086578 381257132 /nfs/dbraw/zinc/25/71/32/381257132.db2.gz VQUVWNBZMNEIMU-OLZOCXBDSA-N 1 0 292.383 2.891 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000342297100 381257793 /nfs/dbraw/zinc/25/77/93/381257793.db2.gz KIUOUYZWXFQCAZ-NEPJUHHUSA-N 1 0 252.289 2.883 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000359105050 381268210 /nfs/dbraw/zinc/26/82/10/381268210.db2.gz WKAUUURMQNXDAC-VXGBXAGGSA-N 1 0 278.356 2.501 20 5 CFBDRO CC[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000183288351 381249909 /nfs/dbraw/zinc/24/99/09/381249909.db2.gz DBJCUBJXESVBBB-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])nc1 ZINC000359226863 381296632 /nfs/dbraw/zinc/29/66/32/381296632.db2.gz JCFUXFRKCQNLSO-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO CCC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000296203986 381300485 /nfs/dbraw/zinc/30/04/85/381300485.db2.gz JJPTTWVCHFJDSK-CQSZACIVSA-N 1 0 278.352 2.941 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000369901533 381349239 /nfs/dbraw/zinc/34/92/39/381349239.db2.gz GWCFMVIMIXRTGM-CABCVRRESA-N 1 0 290.363 2.762 20 5 CFBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1F ZINC000342588091 381417880 /nfs/dbraw/zinc/41/78/80/381417880.db2.gz CERKLTAXTNOVSK-ZDUSSCGKSA-N 1 0 282.315 2.735 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000296566590 381452046 /nfs/dbraw/zinc/45/20/46/381452046.db2.gz QAODAYFVGVYMFY-CQSZACIVSA-N 1 0 293.367 2.637 20 5 CFBDRO CC/C=C/CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000184662363 381456514 /nfs/dbraw/zinc/45/65/14/381456514.db2.gz AUPPXLHZAYGZBI-ITDFMYJTSA-N 1 0 290.367 2.832 20 5 CFBDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296712359 381516266 /nfs/dbraw/zinc/51/62/66/381516266.db2.gz MEHIOKHVESLWDE-RYUDHWBXSA-N 1 0 293.367 2.501 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296640875 381485767 /nfs/dbraw/zinc/48/57/67/381485767.db2.gz XZZHBIDNBCNUTO-RYUDHWBXSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000296647605 381490133 /nfs/dbraw/zinc/49/01/33/381490133.db2.gz YQBCTLBWPXKCSZ-GFCCVEGCSA-N 1 0 280.368 2.962 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OC)CC1 ZINC000370723306 381499609 /nfs/dbraw/zinc/49/96/09/381499609.db2.gz HBKPTCYZIXSRDK-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1cccc(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000185117164 381539106 /nfs/dbraw/zinc/53/91/06/381539106.db2.gz SBMFQDFOEPFGNR-UHFFFAOYSA-N 1 0 293.367 2.888 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000371066523 381541411 /nfs/dbraw/zinc/54/14/11/381541411.db2.gz SQBZAPDOCITWPK-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348386415 381545296 /nfs/dbraw/zinc/54/52/96/381545296.db2.gz MLJLQOHBQSHYFZ-MWLCHTKSSA-N 1 0 274.324 2.749 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296861371 381547083 /nfs/dbraw/zinc/54/70/83/381547083.db2.gz YWVHXJWOLUDIAA-COPLHBTASA-N 1 0 264.325 2.813 20 5 CFBDRO COc1cc(C[N@@H+]2CCCSCC2)ccc1[N+](=O)[O-] ZINC000348467280 381580132 /nfs/dbraw/zinc/58/01/32/381580132.db2.gz IDBPAABYZSVIOG-UHFFFAOYSA-N 1 0 282.365 2.542 20 5 CFBDRO COC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000359680846 381553199 /nfs/dbraw/zinc/55/31/99/381553199.db2.gz DAAJKONPLRVDER-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO CCOc1cc(NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000342815871 381563551 /nfs/dbraw/zinc/56/35/51/381563551.db2.gz DLPXCXNSGKQSRV-UHFFFAOYSA-N 1 0 291.351 2.667 20 5 CFBDRO Cc1cc(N[C@H](C)Cn2ccnc2)c(F)cc1[N+](=O)[O-] ZINC000290888009 381586394 /nfs/dbraw/zinc/58/63/94/381586394.db2.gz CMVSAAGVEFUDAM-SNVBAGLBSA-N 1 0 278.287 2.739 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCCC1 ZINC000185476427 381643930 /nfs/dbraw/zinc/64/39/30/381643930.db2.gz VGEDAMGVXATZGC-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO COCC(C)(C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000348679660 381665654 /nfs/dbraw/zinc/66/56/54/381665654.db2.gz ZXNWKRWGIVRTKP-UHFFFAOYSA-N 1 0 280.368 2.742 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000298580297 381678703 /nfs/dbraw/zinc/67/87/03/381678703.db2.gz XQPVFAHYVHFMKJ-IACUBPJLSA-N 1 0 296.392 2.593 20 5 CFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000343404092 381689509 /nfs/dbraw/zinc/68/95/09/381689509.db2.gz OLAJKZRWCGUVFA-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1O ZINC000355305488 381739300 /nfs/dbraw/zinc/73/93/00/381739300.db2.gz AEIYXHGMOJFACR-WQLSENKSSA-N 1 0 299.330 2.889 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343449862 381718217 /nfs/dbraw/zinc/71/82/17/381718217.db2.gz DNYBPROZJOONKM-MWLCHTKSSA-N 1 0 267.304 2.629 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372330094 381790696 /nfs/dbraw/zinc/79/06/96/381790696.db2.gz DUIHHFGOQBKPFK-GFCCVEGCSA-N 1 0 276.336 2.835 20 5 CFBDRO CC(C)CCCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348907046 381763064 /nfs/dbraw/zinc/76/30/64/381763064.db2.gz VVOGRKGLTGEWTQ-UHFFFAOYSA-N 1 0 265.357 2.796 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361538167 381840500 /nfs/dbraw/zinc/84/05/00/381840500.db2.gz AHQVNPHENWFNFA-NSHDSACASA-N 1 0 280.372 2.586 20 5 CFBDRO CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000361237420 381813091 /nfs/dbraw/zinc/81/30/91/381813091.db2.gz KHMQZABVBYCROB-LBPRGKRZSA-N 1 0 284.743 2.859 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000349293613 381877302 /nfs/dbraw/zinc/87/73/02/381877302.db2.gz FSIUKHBMGKAGEQ-NSHDSACASA-N 1 0 266.341 2.531 20 5 CFBDRO CCC1(CC)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000186562020 381947891 /nfs/dbraw/zinc/94/78/91/381947891.db2.gz BUAJFGSFUIBUFF-UHFFFAOYSA-N 1 0 280.372 2.694 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000293062637 381974937 /nfs/dbraw/zinc/97/49/37/381974937.db2.gz MIRNODZRYXNTPY-SNVBAGLBSA-N 1 0 283.759 2.636 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000343849156 381981640 /nfs/dbraw/zinc/98/16/40/381981640.db2.gz HEJUCHXYBJBJLL-ZJUUUORDSA-N 1 0 297.330 2.637 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293106690 381992539 /nfs/dbraw/zinc/99/25/39/381992539.db2.gz LLXZVYSDVAWBEH-BXUZGUMPSA-N 1 0 264.325 2.503 20 5 CFBDRO CC[N@@H+]1CCc2c(cccc2Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000373394663 381994683 /nfs/dbraw/zinc/99/46/83/381994683.db2.gz UZDMEFBRIFTDKF-UHFFFAOYSA-N 1 0 299.334 2.506 20 5 CFBDRO CC[N@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000343973510 382042089 /nfs/dbraw/zinc/04/20/89/382042089.db2.gz HLPXQTYRJZOKCV-CYBMUJFWSA-N 1 0 279.384 2.976 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000293238804 382044379 /nfs/dbraw/zinc/04/43/79/382044379.db2.gz YWDJURZUXXKLSO-HNNXBMFYSA-N 1 0 292.379 2.872 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000343984518 382047582 /nfs/dbraw/zinc/04/75/82/382047582.db2.gz VEXFNWCNMSJYRU-LLVKDONJSA-N 1 0 298.774 2.930 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000343984251 382048846 /nfs/dbraw/zinc/04/88/46/382048846.db2.gz UTHROUSQLWGUPZ-NWDGAFQWSA-N 1 0 286.335 2.667 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000417357792 382053762 /nfs/dbraw/zinc/05/37/62/382053762.db2.gz SCKNDASZPNPMPY-LBPRGKRZSA-N 1 0 277.368 2.648 20 5 CFBDRO CC[N@H+](CCNc1cccc(OC)c1[N+](=O)[O-])C(C)C ZINC000357234042 382070541 /nfs/dbraw/zinc/07/05/41/382070541.db2.gz GBLMCCKGZNDWSH-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000374991972 382063428 /nfs/dbraw/zinc/06/34/28/382063428.db2.gz ZYAOOZQNJQGFGI-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000186797215 382017263 /nfs/dbraw/zinc/01/72/63/382017263.db2.gz OPFXLHVFQMLPSH-NJZAAPMLSA-N 1 0 278.352 2.857 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCC1)CCCC2 ZINC000417311374 382036793 /nfs/dbraw/zinc/03/67/93/382036793.db2.gz OQRBFRNAWYJAPO-INIZCTEOSA-N 1 0 289.379 2.658 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315645 382038238 /nfs/dbraw/zinc/03/82/38/382038238.db2.gz SQQWZOODRHUPDK-CVEARBPZSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301253522 382122584 /nfs/dbraw/zinc/12/25/84/382122584.db2.gz NAPLWPWWZDQXPT-GFCCVEGCSA-N 1 0 293.342 2.799 20 5 CFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000301121698 382086036 /nfs/dbraw/zinc/08/60/36/382086036.db2.gz YDPMICALDXBTOX-XQQFMLRXSA-N 1 0 292.383 2.768 20 5 CFBDRO CC[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000301182718 382099953 /nfs/dbraw/zinc/09/99/53/382099953.db2.gz NSUZSSQXXONTMB-UHFFFAOYSA-N 1 0 269.320 2.876 20 5 CFBDRO Cc1ccc(N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301535503 382175532 /nfs/dbraw/zinc/17/55/32/382175532.db2.gz QNULCLPTQRVRFT-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344111066 382135989 /nfs/dbraw/zinc/13/59/89/382135989.db2.gz UCUIUIJUHIIHJZ-ZLKJLUDKSA-N 1 0 278.352 2.744 20 5 CFBDRO COCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293645621 382210917 /nfs/dbraw/zinc/21/09/17/382210917.db2.gz XTRLHPCPXIOHMW-UHFFFAOYSA-N 1 0 292.257 2.692 20 5 CFBDRO CCC(=O)c1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419004470 382214784 /nfs/dbraw/zinc/21/47/84/382214784.db2.gz DZZPXZZOHBVJBX-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000357545466 382219036 /nfs/dbraw/zinc/21/90/36/382219036.db2.gz HRAQZAVOCMEKFB-VIFPVBQESA-N 1 0 286.763 2.784 20 5 CFBDRO CSC1(CNc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357554577 382222372 /nfs/dbraw/zinc/22/23/72/382222372.db2.gz ZDNOATAMLHXKFU-UHFFFAOYSA-N 1 0 295.408 2.834 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302230787 382223655 /nfs/dbraw/zinc/22/36/55/382223655.db2.gz BZJAZOCAUPVBBI-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H](C)O ZINC000352201610 382224979 /nfs/dbraw/zinc/22/49/79/382224979.db2.gz GMGTYGWAKUEUPW-GFCCVEGCSA-N 1 0 296.367 2.585 20 5 CFBDRO CC[C@H](O)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000293684094 382233506 /nfs/dbraw/zinc/23/35/06/382233506.db2.gz NHPISCOXWAVDSI-RYUDHWBXSA-N 1 0 298.408 2.826 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccccc1 ZINC000362647135 382187525 /nfs/dbraw/zinc/18/75/25/382187525.db2.gz CGSPNIGEFBLRKO-HOCLYGCPSA-N 1 0 298.346 2.847 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000301727594 382190085 /nfs/dbraw/zinc/19/00/85/382190085.db2.gz VXWKARQETUZLMN-BXUZGUMPSA-N 1 0 293.342 2.654 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000345167174 382288321 /nfs/dbraw/zinc/28/83/21/382288321.db2.gz XRAXZEHCEHUAHQ-STQMWFEESA-N 1 0 277.368 2.822 20 5 CFBDRO CCC[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187697497 382251945 /nfs/dbraw/zinc/25/19/45/382251945.db2.gz POUGXSRPPUSXRF-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419334905 382291712 /nfs/dbraw/zinc/29/17/12/382291712.db2.gz VOOAEPGGDPRXPU-STQMWFEESA-N 1 0 294.399 2.938 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419372346 382302179 /nfs/dbraw/zinc/30/21/79/382302179.db2.gz KJVXZILUQYVCED-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000364327972 382307074 /nfs/dbraw/zinc/30/70/74/382307074.db2.gz LCGNLSPYNUJBOV-AWEZNQCLSA-N 1 0 286.335 2.628 20 5 CFBDRO COC(C)(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000345737738 382309633 /nfs/dbraw/zinc/30/96/33/382309633.db2.gz GMTVGZUKTRGILN-UHFFFAOYSA-N 1 0 266.341 2.842 20 5 CFBDRO Cc1cccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420289545 382344428 /nfs/dbraw/zinc/34/44/28/382344428.db2.gz TWZRXOZCJFJWPM-NWDGAFQWSA-N 1 0 263.341 2.833 20 5 CFBDRO COc1cc(C[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000352416462 382319579 /nfs/dbraw/zinc/31/95/79/382319579.db2.gz GRBDGFDFSBDCLJ-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+](C)C ZINC000302799337 382322330 /nfs/dbraw/zinc/32/23/30/382322330.db2.gz BOAXXJDRDUWQPJ-UHFFFAOYSA-N 1 0 257.721 2.530 20 5 CFBDRO CCOC(=O)CC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352424305 382325903 /nfs/dbraw/zinc/32/59/03/382325903.db2.gz FAXYXHCXWOMKKL-GFCCVEGCSA-N 1 0 294.351 2.849 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302822264 382326576 /nfs/dbraw/zinc/32/65/76/382326576.db2.gz SDGLHAVPXDQQOO-DGCLKSJQSA-N 1 0 293.342 2.654 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000357802655 382329744 /nfs/dbraw/zinc/32/97/44/382329744.db2.gz KCKFAINYCFAXLU-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420306341 382356050 /nfs/dbraw/zinc/35/60/50/382356050.db2.gz ASULOTKDBJDGGG-ZENOOKHLSA-N 1 0 289.379 2.648 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420365755 382386767 /nfs/dbraw/zinc/38/67/67/382386767.db2.gz LMJQWRLFDUSATB-OQMKEHIESA-N 1 0 291.395 2.940 20 5 CFBDRO COc1cc(C[NH+]2[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352546013 382390100 /nfs/dbraw/zinc/39/01/00/382390100.db2.gz OFSGDPKPTPBRQJ-GHMZBOCLSA-N 1 0 264.325 2.976 20 5 CFBDRO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000188325279 382393657 /nfs/dbraw/zinc/39/36/57/382393657.db2.gz KEAXTPLSDLYFGI-IAQYHMDHSA-N 1 0 278.352 2.760 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188117185 382348300 /nfs/dbraw/zinc/34/83/00/382348300.db2.gz GJUWYQFRFIYJQL-MWLCHTKSSA-N 1 0 252.314 2.589 20 5 CFBDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358015505 382411347 /nfs/dbraw/zinc/41/13/47/382411347.db2.gz LEOLOHLQWVVVBQ-ZDUSSCGKSA-N 1 0 266.341 2.746 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358148579 382470370 /nfs/dbraw/zinc/47/03/70/382470370.db2.gz DNIUKWPMXHILOS-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358148578 382470774 /nfs/dbraw/zinc/47/07/74/382470774.db2.gz DNIUKWPMXHILOS-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294292572 382497101 /nfs/dbraw/zinc/49/71/01/382497101.db2.gz MVAIUBDAQVZHQP-MNOVXSKESA-N 1 0 295.408 2.971 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188807481 382480107 /nfs/dbraw/zinc/48/01/07/382480107.db2.gz NIJOQKIIQQYMNQ-JSGCOSHPSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000308641345 382481881 /nfs/dbraw/zinc/48/18/81/382481881.db2.gz IVFWVUYITQTIOW-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000308669317 382484109 /nfs/dbraw/zinc/48/41/09/382484109.db2.gz WFKXRRPOBYMQIQ-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346790032 382512544 /nfs/dbraw/zinc/51/25/44/382512544.db2.gz FUYRXIYVRPQHGS-HUBLWGQQSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@@]1(O)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000279676208 194523103 /nfs/dbraw/zinc/52/31/03/194523103.db2.gz NZTMTFFDGKOJHM-IEXSPKMKSA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421399441 382516496 /nfs/dbraw/zinc/51/64/96/382516496.db2.gz PYVKCXFAHCRCFM-AWEZNQCLSA-N 1 0 292.379 2.888 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294952549 382547926 /nfs/dbraw/zinc/54/79/26/382547926.db2.gz CELVWMGWQNVYBQ-AWEZNQCLSA-N 1 0 290.363 2.829 20 5 CFBDRO C[C@@H]([N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295097443 382576424 /nfs/dbraw/zinc/57/64/24/382576424.db2.gz FZLCNRWIMYNCRV-SECBINFHSA-N 1 0 286.759 2.839 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294967010 382556356 /nfs/dbraw/zinc/55/63/56/382556356.db2.gz ZGELNKSLCBIFOK-PGUXBMHVSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CC1 ZINC000353514750 382557265 /nfs/dbraw/zinc/55/72/65/382557265.db2.gz UZRVJJFJPUWMGE-WFASDCNBSA-N 1 0 292.379 2.524 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000382407351 382530233 /nfs/dbraw/zinc/53/02/33/382530233.db2.gz XTSLOVRRWTVGIS-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000382409268 382530656 /nfs/dbraw/zinc/53/06/56/382530656.db2.gz ZOXOXKYQPXBDKH-SNVBAGLBSA-N 1 0 269.320 2.875 20 5 CFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295261084 382601279 /nfs/dbraw/zinc/60/12/79/382601279.db2.gz REYMZGSYUKWKOG-CYBMUJFWSA-N 1 0 296.342 2.717 20 5 CFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295261087 382601331 /nfs/dbraw/zinc/60/13/31/382601331.db2.gz REYMZGSYUKWKOG-ZDUSSCGKSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358407195 382603269 /nfs/dbraw/zinc/60/32/69/382603269.db2.gz SVVXVHMCOUZDBP-MBNYWOFBSA-N 1 0 277.368 2.504 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000353743222 382622814 /nfs/dbraw/zinc/62/28/14/382622814.db2.gz BPOFHFOQXUYDQP-HIFRSBDPSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189617767 382630396 /nfs/dbraw/zinc/63/03/96/382630396.db2.gz WTZQTHVNIDFMPR-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189638841 382631541 /nfs/dbraw/zinc/63/15/41/382631541.db2.gz KTVUYHJZIWBAPV-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295196753 382579802 /nfs/dbraw/zinc/57/98/02/382579802.db2.gz YAIHWKURGKFFQH-KGLIPLIRSA-N 1 0 294.395 2.914 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000189927997 382645466 /nfs/dbraw/zinc/64/54/66/382645466.db2.gz ZKPIVPIXOCYEQQ-QMTHXVAHSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189937594 382646212 /nfs/dbraw/zinc/64/62/12/382646212.db2.gz LLDQKTFLFMKGGR-BPFGOOJPSA-N 1 0 290.363 2.749 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ncccc1[N+](=O)[O-] ZINC000190966456 382686949 /nfs/dbraw/zinc/68/69/49/382686949.db2.gz IAEFJDZVSAHLHT-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000190407904 382666433 /nfs/dbraw/zinc/66/64/33/382666433.db2.gz TUUJPGQYBFOSCV-LLVKDONJSA-N 1 0 296.392 2.788 20 5 CFBDRO COc1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190456180 382669029 /nfs/dbraw/zinc/66/90/29/382669029.db2.gz WOHISRQULIJSES-NSHDSACASA-N 1 0 296.392 2.788 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858482 382712907 /nfs/dbraw/zinc/71/29/07/382712907.db2.gz RWJGIZSYIDRKQR-DZGCQCFKSA-N 1 0 278.352 2.723 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193737085 382723762 /nfs/dbraw/zinc/72/37/62/382723762.db2.gz QWWQOBYJPLGEGV-SNVBAGLBSA-N 1 0 281.312 2.981 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000336828902 382725567 /nfs/dbraw/zinc/72/55/67/382725567.db2.gz DYDYSFYPUYJTNW-KBPBESRZSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1ccc(C[NH2+]CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000336832849 382726967 /nfs/dbraw/zinc/72/69/67/382726967.db2.gz FVHRDVDTVCJIJV-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193967501 382731221 /nfs/dbraw/zinc/73/12/21/382731221.db2.gz ZNWMYCFDRKRCKE-QWRGUYRKSA-N 1 0 291.307 2.735 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000195510642 382768945 /nfs/dbraw/zinc/76/89/45/382768945.db2.gz VYUAEDDOEACNJI-NXEZZACHSA-N 1 0 284.385 2.584 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214745854 382777008 /nfs/dbraw/zinc/77/70/08/382777008.db2.gz OUDBFCXFLSTTHT-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1cccc(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000218845342 382790888 /nfs/dbraw/zinc/79/08/88/382790888.db2.gz JDBIHBSGZJBUKB-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO CC(C)OC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000337274084 382791356 /nfs/dbraw/zinc/79/13/56/382791356.db2.gz DBYGMLOFWZBYJI-LBPRGKRZSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H](CC[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000194514238 382746857 /nfs/dbraw/zinc/74/68/57/382746857.db2.gz VSLONZWZMAADCS-CYBMUJFWSA-N 1 0 288.351 2.575 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092938339 184635923 /nfs/dbraw/zinc/63/59/23/184635923.db2.gz YJTJVZQQDGQYGX-PXTSUWAFSA-N 1 0 289.379 2.634 20 5 CFBDRO Cc1cnccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000228671892 382848637 /nfs/dbraw/zinc/84/86/37/382848637.db2.gz WPTKSPZXHHDKOU-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1cnccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228668756 382848640 /nfs/dbraw/zinc/84/86/40/382848640.db2.gz ZSQMPZZDYQXDOZ-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000221257857 382798357 /nfs/dbraw/zinc/79/83/57/382798357.db2.gz UWESZBVEQKYOSC-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000280076765 194693845 /nfs/dbraw/zinc/69/38/45/194693845.db2.gz MPDNLNJJPBYSAG-NSHDSACASA-N 1 0 266.366 2.746 20 5 CFBDRO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000575932542 382804361 /nfs/dbraw/zinc/80/43/61/382804361.db2.gz NBXSLIDYIOQVKX-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000576039960 382808129 /nfs/dbraw/zinc/80/81/29/382808129.db2.gz UUMBXZLZYDVNKV-ADEWGFFLSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccn2CC[C@H]1CC[NH2+]C1 ZINC000576100318 382810034 /nfs/dbraw/zinc/81/00/34/382810034.db2.gz HXCLFVGGVUYDIL-LLVKDONJSA-N 1 0 259.309 2.549 20 5 CFBDRO CO[C@@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000224352526 382810806 /nfs/dbraw/zinc/81/08/06/382810806.db2.gz ACWZVVGFAKNFER-JTQLQIEISA-N 1 0 275.308 2.898 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337474504 382827355 /nfs/dbraw/zinc/82/73/55/382827355.db2.gz RFIKETZJVUXRGR-JQWIXIFHSA-N 1 0 264.325 2.882 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576597511 382828640 /nfs/dbraw/zinc/82/86/40/382828640.db2.gz UUBLJQSVGBOPCC-UKRRQHHQSA-N 1 0 278.352 2.579 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCSC1 ZINC000576697447 382832397 /nfs/dbraw/zinc/83/23/97/382832397.db2.gz ZRTZFXKGJNYXJQ-FHMRSRPSSA-N 1 0 278.377 2.951 20 5 CFBDRO CC[N@H+](CCNc1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC000227347685 382836360 /nfs/dbraw/zinc/83/63/60/382836360.db2.gz VCNXZQQCADPLSM-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO CO[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1C ZINC000230236343 382858041 /nfs/dbraw/zinc/85/80/41/382858041.db2.gz QACIZNYBUPCENM-IINYFYTJSA-N 1 0 282.315 2.591 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000337795981 382865970 /nfs/dbraw/zinc/86/59/70/382865970.db2.gz GBMPNJUIMOADBP-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000337795978 382866070 /nfs/dbraw/zinc/86/60/70/382866070.db2.gz GBMPNJUIMOADBP-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865751 382873744 /nfs/dbraw/zinc/87/37/44/382873744.db2.gz MNTYJYFEXRQMJQ-SWLSCSKDSA-N 1 0 291.395 2.900 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(SC)CC1 ZINC000234885923 382875506 /nfs/dbraw/zinc/87/55/06/382875506.db2.gz DCZGHPSZHQEXSB-UHFFFAOYSA-N 1 0 282.365 2.589 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC2(CC[NH2+]2)CC1 ZINC000577946706 382876533 /nfs/dbraw/zinc/87/65/33/382876533.db2.gz DWJXATWABBQOEU-UHFFFAOYSA-N 1 0 281.743 2.581 20 5 CFBDRO Cc1cc(NCCCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000235875391 382889296 /nfs/dbraw/zinc/88/92/96/382889296.db2.gz OUJBUYOZLBOYGP-UHFFFAOYSA-N 1 0 275.308 2.636 20 5 CFBDRO [NH3+]CCN(Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000236207124 382892376 /nfs/dbraw/zinc/89/23/76/382892376.db2.gz VPFDNMDRUWIHMM-UHFFFAOYSA-N 1 0 271.320 2.560 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000421878428 382957976 /nfs/dbraw/zinc/95/79/76/382957976.db2.gz NHPISCOXWAVDSI-VXGBXAGGSA-N 1 0 298.408 2.826 20 5 CFBDRO CCC(O)(CC)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236856085 382923811 /nfs/dbraw/zinc/92/38/11/382923811.db2.gz LFOZGXIQCHLWCW-VQHVLOKHSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH+]1CCC1 ZINC000338281552 382974892 /nfs/dbraw/zinc/97/48/92/382974892.db2.gz NUUIFUUDWIOHGY-UHFFFAOYSA-N 1 0 289.257 2.731 20 5 CFBDRO Cc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338360395 383002594 /nfs/dbraw/zinc/00/25/94/383002594.db2.gz NPIVRVKVVBBFSF-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000338364839 383005586 /nfs/dbraw/zinc/00/55/86/383005586.db2.gz GJQVRILALJWZOZ-UHFFFAOYSA-N 1 0 296.367 2.634 20 5 CFBDRO CC(C)COCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338370756 383007667 /nfs/dbraw/zinc/00/76/67/383007667.db2.gz BRXAYAPPKWHWNK-UHFFFAOYSA-N 1 0 280.368 2.742 20 5 CFBDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000495179163 382967945 /nfs/dbraw/zinc/96/79/45/382967945.db2.gz YWMHBVDYJVGEGV-LBPRGKRZSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000550699776 383028425 /nfs/dbraw/zinc/02/84/25/383028425.db2.gz MSBHTMCLLDMQNM-SWLSCSKDSA-N 1 0 294.351 2.521 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@H]1O ZINC000245866259 383042369 /nfs/dbraw/zinc/04/23/69/383042369.db2.gz QENRXORLGOCCAA-IAGOWNOFSA-N 1 0 298.342 2.685 20 5 CFBDRO CCCC[C@H](CN)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299971 383056894 /nfs/dbraw/zinc/05/68/94/383056894.db2.gz QPMDXWKUZIXPMC-TZMCWYRMSA-N 1 0 279.384 2.633 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000554523282 383139667 /nfs/dbraw/zinc/13/96/67/383139667.db2.gz XTMOPEWHVBMQME-ZWNOBZJWSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338956858 383100027 /nfs/dbraw/zinc/10/00/27/383100027.db2.gz BOLOHFNPFLHJEJ-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO CCC[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448141 383100167 /nfs/dbraw/zinc/10/01/67/383100167.db2.gz PTTTVXYKVGLYCM-SUNKGSAMSA-N 1 0 265.357 2.761 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423467359 383106824 /nfs/dbraw/zinc/10/68/24/383106824.db2.gz DSYHJKZAPIRXSS-ZWNOBZJWSA-N 1 0 299.321 2.551 20 5 CFBDRO CCC[C@@H](NC[C@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423469307 383107212 /nfs/dbraw/zinc/10/72/12/383107212.db2.gz OTWMWXDZKMWDBI-TZMCWYRMSA-N 1 0 265.357 2.763 20 5 CFBDRO Cc1c([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000423468804 383107434 /nfs/dbraw/zinc/10/74/34/383107434.db2.gz FTHFHJBQGLJLJT-ZWNOBZJWSA-N 1 0 299.321 2.551 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000423468801 383107512 /nfs/dbraw/zinc/10/75/12/383107512.db2.gz FTHFHJBQGLJLJT-GXFFZTMASA-N 1 0 299.321 2.551 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nccs1 ZINC000449108567 383179996 /nfs/dbraw/zinc/17/99/96/383179996.db2.gz RYZQJPRLRFNHIU-LLVKDONJSA-N 1 0 291.376 2.815 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000449231856 383184601 /nfs/dbraw/zinc/18/46/01/383184601.db2.gz FXPKXSASQNCUBE-NFAWXSAZSA-N 1 0 291.395 2.598 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449258716 383187443 /nfs/dbraw/zinc/18/74/43/383187443.db2.gz OEIRACNYMLRAAG-NEPJUHHUSA-N 1 0 266.341 2.540 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCOCC1 ZINC000566571780 383190467 /nfs/dbraw/zinc/19/04/67/383190467.db2.gz JGNXERLCLCPSMH-CQSZACIVSA-N 1 0 276.336 2.598 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449276374 383195710 /nfs/dbraw/zinc/19/57/10/383195710.db2.gz RPQIDHVUCAYGSE-KWCYVHTRSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC[C@H]1C ZINC000449281828 383198237 /nfs/dbraw/zinc/19/82/37/383198237.db2.gz FIUFVHOUUMTUJW-BZPMIXESSA-N 1 0 278.352 2.540 20 5 CFBDRO CC(C)[NH+]1CCC(N(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000248021336 383207581 /nfs/dbraw/zinc/20/75/81/383207581.db2.gz FHXHQSRHPSLIBH-UHFFFAOYSA-N 1 0 277.368 2.904 20 5 CFBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000339471612 383208901 /nfs/dbraw/zinc/20/89/01/383208901.db2.gz XGECKZBVLPCXNN-OAHLLOKOSA-N 1 0 296.342 2.765 20 5 CFBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000248092038 383210092 /nfs/dbraw/zinc/21/00/92/383210092.db2.gz YBORNBLAEULPLQ-UHFFFAOYSA-N 1 0 277.368 2.904 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000247156040 383148204 /nfs/dbraw/zinc/14/82/04/383148204.db2.gz XMLKUEXZBUIOMF-SMDDNHRTSA-N 1 0 298.770 2.841 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157114 383148752 /nfs/dbraw/zinc/14/87/52/383148752.db2.gz UAJUJUSFPDRRTM-KGLIPLIRSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000449064280 383157684 /nfs/dbraw/zinc/15/76/84/383157684.db2.gz OZYUMVJRDFNNLT-NSHDSACASA-N 1 0 260.293 2.909 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccnc1 ZINC000449076640 383163841 /nfs/dbraw/zinc/16/38/41/383163841.db2.gz PWNDYFQMQHRXAS-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO Cc1ncncc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000520610010 383266650 /nfs/dbraw/zinc/26/66/50/383266650.db2.gz OQORFEPOOKENOA-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC[C@@H]1CCOC1 ZINC000567366734 383267791 /nfs/dbraw/zinc/26/77/91/383267791.db2.gz IMQBDHDIERYSET-IUODEOHRSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000449322716 383216891 /nfs/dbraw/zinc/21/68/91/383216891.db2.gz PZIDBJJICIPVCP-NFAWXSAZSA-N 1 0 292.379 2.788 20 5 CFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449419092 383279293 /nfs/dbraw/zinc/27/92/93/383279293.db2.gz GVIUQDZZKQULHS-IPKOWEFYSA-N 1 0 290.363 2.701 20 5 CFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000567992543 383341813 /nfs/dbraw/zinc/34/18/13/383341813.db2.gz UMZJPHYCHAPTES-IUODEOHRSA-N 1 0 280.368 2.524 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC000449506504 383342187 /nfs/dbraw/zinc/34/21/87/383342187.db2.gz KZMAFAIGGDIHGT-JKSUJKDBSA-N 1 0 294.395 2.974 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249454090 383346120 /nfs/dbraw/zinc/34/61/20/383346120.db2.gz DBBKESAONOLNEM-WTNMEWPOSA-N 1 0 288.347 2.765 20 5 CFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248823492 383294103 /nfs/dbraw/zinc/29/41/03/383294103.db2.gz FNBRWFZFZHUVKA-RRFJBIMHSA-N 1 0 290.363 2.721 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000252220438 383406135 /nfs/dbraw/zinc/40/61/35/383406135.db2.gz YWPROUZMSGZOIG-HZMBPMFUSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@]1(C)CCCO1 ZINC000340312753 383413292 /nfs/dbraw/zinc/41/32/92/383413292.db2.gz NODLWOXBQPMHIH-WFASDCNBSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000250079973 383370257 /nfs/dbraw/zinc/37/02/57/383370257.db2.gz OZASYKWFRVDGCI-HPEDKQMDSA-N 1 0 276.336 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252673150 383425359 /nfs/dbraw/zinc/42/53/59/383425359.db2.gz GTGYSTNKGVWSMT-JSGCOSHPSA-N 1 0 261.325 2.634 20 5 CFBDRO CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252732733 383430791 /nfs/dbraw/zinc/43/07/91/383430791.db2.gz WMMKEWHBEPVXKN-FYYVMTAXSA-N 1 0 298.408 2.793 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252895495 383440262 /nfs/dbraw/zinc/44/02/62/383440262.db2.gz ZCXKVYGJPNEMIY-OLZOCXBDSA-N 1 0 275.352 2.942 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000526966479 383442921 /nfs/dbraw/zinc/44/29/21/383442921.db2.gz WUDCBENPJUBPEF-QJPTWQEYSA-N 1 0 266.341 2.977 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@@H]2F)n1 ZINC000340521899 383455944 /nfs/dbraw/zinc/45/59/44/383455944.db2.gz GQZXLDARYFLRLY-QNWHQSFQSA-N 1 0 296.346 2.755 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCCC[C@H]1O)CC2 ZINC000569007235 383460907 /nfs/dbraw/zinc/46/09/07/383460907.db2.gz FMHAPKNEZJDEPE-XJKSGUPXSA-N 1 0 290.363 2.504 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccno3)C2)cc1 ZINC000569195840 383475816 /nfs/dbraw/zinc/47/58/16/383475816.db2.gz WRRNZGMFAVXGBG-CYBMUJFWSA-N 1 0 287.319 2.962 20 5 CFBDRO CCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341033273 383538353 /nfs/dbraw/zinc/53/83/53/383538353.db2.gz FURCRFPVHYHNSP-CYBMUJFWSA-N 1 0 288.351 2.959 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000341120577 383572725 /nfs/dbraw/zinc/57/27/25/383572725.db2.gz MGPKJOKZYNGTDM-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000570463980 383607381 /nfs/dbraw/zinc/60/73/81/383607381.db2.gz IYVYGIVOTXOALR-AWEZNQCLSA-N 1 0 291.395 2.805 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000450949899 383564636 /nfs/dbraw/zinc/56/46/36/383564636.db2.gz LLBGKQUUBORUMA-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO COC[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544896 383641134 /nfs/dbraw/zinc/64/11/34/383641134.db2.gz GDQAKYSVDWCZSD-GXTWGEPZSA-N 1 0 278.352 2.809 20 5 CFBDRO COc1cccc(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000280910133 195024495 /nfs/dbraw/zinc/02/44/95/195024495.db2.gz AFUSGHAVMJEUBW-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO COc1ccc(C[N@H+](C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000489422692 383617344 /nfs/dbraw/zinc/61/73/44/383617344.db2.gz GLFGNWDJBYMTTQ-ZDUSSCGKSA-N 1 0 264.325 2.834 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)cs1 ZINC000264598143 383760391 /nfs/dbraw/zinc/76/03/91/383760391.db2.gz MZHHUUOIQSURLL-ZDUSSCGKSA-N 1 0 295.408 2.717 20 5 CFBDRO COC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000180194564 533004094 /nfs/dbraw/zinc/00/40/94/533004094.db2.gz FANKAOREHGCLEU-NSHDSACASA-N 1 0 264.325 2.815 20 5 CFBDRO CC[N@H+](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000572735522 383812978 /nfs/dbraw/zinc/81/29/78/383812978.db2.gz XYPFRQNKEMJDRQ-OAHLLOKOSA-N 1 0 291.395 2.902 20 5 CFBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]12 ZINC000531381597 383858437 /nfs/dbraw/zinc/85/84/37/383858437.db2.gz QQKKNRZMWQFNRY-MGPQQGTHSA-N 1 0 292.383 2.692 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000265272286 383881051 /nfs/dbraw/zinc/88/10/51/383881051.db2.gz XNOBETZOSLLWBA-CABCVRRESA-N 1 0 278.352 2.720 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000453607863 383875063 /nfs/dbraw/zinc/87/50/63/383875063.db2.gz XKJYUQVTINKYQM-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO CC(C)([NH2+]CC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000437986204 383933561 /nfs/dbraw/zinc/93/35/61/383933561.db2.gz LFKPENGQYKZYGL-LBPRGKRZSA-N 1 0 278.352 2.846 20 5 CFBDRO CC(C)[C@@H]1C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573835758 384000718 /nfs/dbraw/zinc/00/07/18/384000718.db2.gz WDMWAGRKEAGPJS-WCQYABFASA-N 1 0 291.351 2.558 20 5 CFBDRO CCCCN(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573577334 383956139 /nfs/dbraw/zinc/95/61/39/383956139.db2.gz SPFGUGOYDXUCRD-OAHLLOKOSA-N 1 0 291.395 2.904 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000573933763 384017860 /nfs/dbraw/zinc/01/78/60/384017860.db2.gz JQTKYNZYCYOVGZ-ABAIWWIYSA-N 1 0 290.363 2.987 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000439658463 384037824 /nfs/dbraw/zinc/03/78/24/384037824.db2.gz NXGVWINZFOLJQM-QWRGUYRKSA-N 1 0 284.747 2.538 20 5 CFBDRO COc1cc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000111047744 533029519 /nfs/dbraw/zinc/02/95/19/533029519.db2.gz CMWFIYJNSVDNRA-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000574234751 384065593 /nfs/dbraw/zinc/06/55/93/384065593.db2.gz XSJIQPNDZHUMEI-IVMMDQJWSA-N 1 0 289.379 2.824 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C(C)C)CC2)c1 ZINC000266396951 384166631 /nfs/dbraw/zinc/16/66/31/384166631.db2.gz OUUNROSFYINLBH-UHFFFAOYSA-N 1 0 293.367 2.570 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089529 285090533 /nfs/dbraw/zinc/09/05/33/285090533.db2.gz RETBRMNADMTLMH-LBPRGKRZSA-N 1 0 295.770 2.923 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000277124655 384207628 /nfs/dbraw/zinc/20/76/28/384207628.db2.gz IAMHTTCJPZIWKO-CYBMUJFWSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCc2c[nH+]ccc21 ZINC000153909218 285092709 /nfs/dbraw/zinc/09/27/09/285092709.db2.gz DWTARLINABOGKY-UHFFFAOYSA-N 1 0 276.683 2.732 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](C)C1 ZINC000266780840 384237474 /nfs/dbraw/zinc/23/74/74/384237474.db2.gz ZUPXWOVHMCAFMJ-NEPJUHHUSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1ccccc1[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266891834 384255660 /nfs/dbraw/zinc/25/56/60/384255660.db2.gz FFKDTUJYHPFZSF-ZDUSSCGKSA-N 1 0 288.351 2.793 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267026461 384282589 /nfs/dbraw/zinc/28/25/89/384282589.db2.gz LMNOYMSXHNTYHR-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C2CC2)CC1 ZINC000277680635 384373906 /nfs/dbraw/zinc/37/39/06/384373906.db2.gz FLMNCDBQSRJLTQ-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000362452073 285110572 /nfs/dbraw/zinc/11/05/72/285110572.db2.gz MXTYFZWOKSQEOZ-HOCLYGCPSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451652812 285111175 /nfs/dbraw/zinc/11/11/75/285111175.db2.gz ZOOGJBTVUCWPGM-HNNXBMFYSA-N 1 0 292.404 2.965 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000278049207 384466136 /nfs/dbraw/zinc/46/61/36/384466136.db2.gz XXYJNDFPIFIVHI-NTZNESFSSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267813522 384471061 /nfs/dbraw/zinc/47/10/61/384471061.db2.gz NJDNVJGZNJZVJE-GRYCIOLGSA-N 1 0 291.351 2.510 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000278207428 384499120 /nfs/dbraw/zinc/49/91/20/384499120.db2.gz JTLSOLTYSCRUJE-AOOOYVTPSA-N 1 0 279.296 2.591 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000268025656 384512787 /nfs/dbraw/zinc/51/27/87/384512787.db2.gz IZCRFKGOISSLIR-CHWSQXEVSA-N 1 0 277.368 2.822 20 5 CFBDRO CC(C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278269713 384513283 /nfs/dbraw/zinc/51/32/83/384513283.db2.gz VMEWGPWHIOLYPX-UHFFFAOYSA-N 1 0 282.325 2.547 20 5 CFBDRO C[C@H]1[N@H+](Cc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000363797941 220320515 /nfs/dbraw/zinc/32/05/15/220320515.db2.gz WKPHSLCPUWQYGI-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)c(Cl)c1 ZINC000269270388 285121201 /nfs/dbraw/zinc/12/12/01/285121201.db2.gz GBTCBLKVCVDTNE-UHFFFAOYSA-N 1 0 295.770 2.969 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278629387 384590684 /nfs/dbraw/zinc/59/06/84/384590684.db2.gz GVXWBZTZYOSVGK-HFBAOOFYSA-N 1 0 290.363 2.987 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268838903 384673688 /nfs/dbraw/zinc/67/36/88/384673688.db2.gz MGIAFVMNUBGZQI-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268859564 384680650 /nfs/dbraw/zinc/68/06/50/384680650.db2.gz FNJBCNRNSUVVPS-NVBFEUDRSA-N 1 0 280.368 2.961 20 5 CFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000301382604 285134259 /nfs/dbraw/zinc/13/42/59/285134259.db2.gz ZKSKQERTIBLIJJ-RCBQFDQVSA-N 1 0 287.363 2.515 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000269636641 384815487 /nfs/dbraw/zinc/81/54/87/384815487.db2.gz HOPQGRWBFQPSRZ-SWLSCSKDSA-N 1 0 280.368 2.995 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662463 384825115 /nfs/dbraw/zinc/82/51/15/384825115.db2.gz KPEPEULEBSFPLS-RISCZKNCSA-N 1 0 266.341 2.605 20 5 CFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633905 384813741 /nfs/dbraw/zinc/81/37/41/384813741.db2.gz GNPMHJUVHXDUTN-BXUZGUMPSA-N 1 0 290.319 2.914 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000269693549 384840102 /nfs/dbraw/zinc/84/01/02/384840102.db2.gz JEMRWFIMAMVENC-HNNXBMFYSA-N 1 0 290.319 2.662 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](O)CC1)CCC2 ZINC000332222469 285145464 /nfs/dbraw/zinc/14/54/64/285145464.db2.gz MXMBCLKJDPNVRV-XNRPHZJLSA-N 1 0 290.363 2.865 20 5 CFBDRO C[C@@H]1CC[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000282405109 385302212 /nfs/dbraw/zinc/30/22/12/385302212.db2.gz IAYQRAZSMZNIDT-DOMZBBRYSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000282431424 385309931 /nfs/dbraw/zinc/30/99/31/385309931.db2.gz RJIUGQDTUSVCOT-BXUZGUMPSA-N 1 0 278.352 2.903 20 5 CFBDRO CCC1(CO)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000270945019 385278129 /nfs/dbraw/zinc/27/81/29/385278129.db2.gz WFXJBSIRFOCIHH-UHFFFAOYSA-N 1 0 278.352 2.579 20 5 CFBDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282331506 385285471 /nfs/dbraw/zinc/28/54/71/385285471.db2.gz UTGAQNYYSPQGMT-UKRRQHHQSA-N 1 0 278.352 2.890 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000282347664 385289440 /nfs/dbraw/zinc/28/94/40/385289440.db2.gz PBSAVEYTQFONRQ-IUODEOHRSA-N 1 0 278.352 2.903 20 5 CFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCC[N@@H+]1C ZINC000282372993 385296423 /nfs/dbraw/zinc/29/64/23/385296423.db2.gz FJMBWEPMZNTOLJ-OAHLLOKOSA-N 1 0 291.395 2.553 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282545307 385338331 /nfs/dbraw/zinc/33/83/31/385338331.db2.gz RVUZMGBHRBSUQZ-CYBMUJFWSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000271996990 385421810 /nfs/dbraw/zinc/42/18/10/385421810.db2.gz GLSADXXVVPSILV-ZDUSSCGKSA-N 1 0 284.381 2.783 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCC[C@H]1O ZINC000283161098 385441197 /nfs/dbraw/zinc/44/11/97/385441197.db2.gz OYONCPXQUNSJIM-SWLSCSKDSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000283293987 385453975 /nfs/dbraw/zinc/45/39/75/385453975.db2.gz YCVRJEZRCZNGDU-WCQYABFASA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284069522 385531236 /nfs/dbraw/zinc/53/12/36/385531236.db2.gz LGJOGUNNIMTEJI-CMPLNLGQSA-N 1 0 295.383 2.625 20 5 CFBDRO Cc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000286464012 385628067 /nfs/dbraw/zinc/62/80/67/385628067.db2.gz SYEGOKGQKLQHBM-PBWFPOADSA-N 1 0 289.379 2.965 20 5 CFBDRO Cc1cccc(CCCNc2ncccc2[N+](=O)[O-])n1 ZINC000286650117 385677265 /nfs/dbraw/zinc/67/72/65/385677265.db2.gz UOBVFOYNNOADAT-UHFFFAOYSA-N 1 0 272.308 2.738 20 5 CFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274096589 385718525 /nfs/dbraw/zinc/71/85/25/385718525.db2.gz UMJXKFFBXGQHMK-GRYCIOLGSA-N 1 0 294.351 2.833 20 5 CFBDRO CCOc1cc(CN2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276944913 386086628 /nfs/dbraw/zinc/08/66/28/386086628.db2.gz STEQEBCFGZFDFH-RYUDHWBXSA-N 1 0 294.351 2.603 20 5 CFBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000276980044 386097736 /nfs/dbraw/zinc/09/77/36/386097736.db2.gz SHVVYTAEPQZERS-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H]1SC ZINC000425342401 533222697 /nfs/dbraw/zinc/22/26/97/533222697.db2.gz HDYGCCTWYKYUIM-WCQYABFASA-N 1 0 282.365 2.587 20 5 CFBDRO COC(=O)CC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000281763369 195370377 /nfs/dbraw/zinc/37/03/77/195370377.db2.gz YYJUVEZTDOYNPM-NSHDSACASA-N 1 0 292.335 2.589 20 5 CFBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000190922109 533264782 /nfs/dbraw/zinc/26/47/82/533264782.db2.gz PVKOSCRBVUUUAC-JQWIXIFHSA-N 1 0 284.743 2.905 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000414200014 533305790 /nfs/dbraw/zinc/30/57/90/533305790.db2.gz LHVDTUVCXFQILU-RYUDHWBXSA-N 1 0 266.341 2.918 20 5 CFBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000423217914 533342189 /nfs/dbraw/zinc/34/21/89/533342189.db2.gz SRNHSYDLZFHFBC-BKQLOGFTSA-N 1 0 275.352 2.528 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2(C)COC2)cccc1[N+](=O)[O-] ZINC000164405517 130017100 /nfs/dbraw/zinc/01/71/00/130017100.db2.gz YPWBISFUCJHFHL-LLVKDONJSA-N 1 0 264.325 2.590 20 5 CFBDRO COc1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191821532 130312180 /nfs/dbraw/zinc/31/21/80/130312180.db2.gz RDZSOTCNAPHEHZ-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191827070 130312729 /nfs/dbraw/zinc/31/27/29/130312729.db2.gz PVJAUIXTAWBKHO-SUNKGSAMSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@H]1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000355675335 130330416 /nfs/dbraw/zinc/33/04/16/130330416.db2.gz RLDXMSNBSNPOQE-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]1C(F)F ZINC000342223019 130395623 /nfs/dbraw/zinc/39/56/23/130395623.db2.gz VVCKVNAPDAZYRB-GHMZBOCLSA-N 1 0 286.278 2.737 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342225229 130397957 /nfs/dbraw/zinc/39/79/57/130397957.db2.gz NDWBIFDFCMDQNY-UWVGGRQHSA-N 1 0 256.252 2.646 20 5 CFBDRO C[C@H](CCCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192949925 130565258 /nfs/dbraw/zinc/56/52/58/130565258.db2.gz NUWZSDIZHJHVSV-ABAIWWIYSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194089457 130670698 /nfs/dbraw/zinc/67/06/98/130670698.db2.gz OWWRNZKCEKOUDK-BPLDGKMQSA-N 1 0 288.347 2.642 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000237360864 131025131 /nfs/dbraw/zinc/02/51/31/131025131.db2.gz OQQKSQPPHROVHA-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000264063160 131388604 /nfs/dbraw/zinc/38/86/04/131388604.db2.gz JREWWKFHZLEDOB-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266794279 131778765 /nfs/dbraw/zinc/77/87/65/131778765.db2.gz QGNLACWNOHOCOT-NSHDSACASA-N 1 0 294.351 2.977 20 5 CFBDRO Cc1nc(NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000268455232 132011823 /nfs/dbraw/zinc/01/18/23/132011823.db2.gz GPVYLCUBLQSLHQ-LLVKDONJSA-N 1 0 278.356 2.585 20 5 CFBDRO CCC[C@@H]([NH2+]CCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268794800 132067156 /nfs/dbraw/zinc/06/71/56/132067156.db2.gz DCQCURZMJCBNTN-CQSZACIVSA-N 1 0 293.367 2.552 20 5 CFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000269027348 132100682 /nfs/dbraw/zinc/10/06/82/132100682.db2.gz RGBMEIGXLYQNRA-JTNHKYCSSA-N 1 0 298.408 2.666 20 5 CFBDRO CSC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269035271 132102102 /nfs/dbraw/zinc/10/21/02/132102102.db2.gz TUVIEYUNTLQOMP-FZMZJTMJSA-N 1 0 298.408 2.668 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269362802 132160038 /nfs/dbraw/zinc/16/00/38/132160038.db2.gz JSVAGEBVIICFBA-KCJUWKMLSA-N 1 0 296.758 2.538 20 5 CFBDRO CCC[NH+]1CCN(c2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000184077427 393524796 /nfs/dbraw/zinc/52/47/96/393524796.db2.gz JXBNKVQTDNEXMA-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)c1ccccc1[N+](=O)[O-] ZINC000331017622 393554794 /nfs/dbraw/zinc/55/47/94/393554794.db2.gz YVDWCYDRBXWYIF-CQDKDKBSSA-N 1 0 278.352 2.797 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268838906 285555151 /nfs/dbraw/zinc/55/51/51/285555151.db2.gz MGIAFVMNUBGZQI-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191827080 393608300 /nfs/dbraw/zinc/60/83/00/393608300.db2.gz PVJAUIXTAWBKHO-MJVIPROJSA-N 1 0 264.325 2.670 20 5 CFBDRO CCC(CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192699950 393629987 /nfs/dbraw/zinc/62/99/87/393629987.db2.gz SBRWZTXISVPQFC-JTQLQIEISA-N 1 0 279.340 2.700 20 5 CFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359811 393777148 /nfs/dbraw/zinc/77/71/48/393777148.db2.gz BGUMEVQBGMEAMI-JOYOIKCWSA-N 1 0 279.296 2.781 20 5 CFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000090537792 393779059 /nfs/dbraw/zinc/77/90/59/393779059.db2.gz NHULGMBJHQGBFQ-NSHDSACASA-N 1 0 280.353 2.594 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000424211538 393798247 /nfs/dbraw/zinc/79/82/47/393798247.db2.gz YGUNPUVSYBKQLK-PEGIJTEDSA-N 1 0 292.335 2.500 20 5 CFBDRO Cc1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000338796396 393801000 /nfs/dbraw/zinc/80/10/00/393801000.db2.gz SCVJZHZURURIGV-QWRGUYRKSA-N 1 0 281.331 2.571 20 5 CFBDRO COc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000111047653 393883547 /nfs/dbraw/zinc/88/35/47/393883547.db2.gz FDAKEKOOWZYNLN-GFCCVEGCSA-N 1 0 293.367 2.746 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000252649247 393937782 /nfs/dbraw/zinc/93/77/82/393937782.db2.gz RWWISAYIWSOJIN-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000417310953 393949228 /nfs/dbraw/zinc/94/92/28/393949228.db2.gz LBGUHXIFWABQIY-HNNXBMFYSA-N 1 0 290.363 2.988 20 5 CFBDRO COCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272304252 394027533 /nfs/dbraw/zinc/02/75/33/394027533.db2.gz JLVQLWGJUZVGMM-NSHDSACASA-N 1 0 252.314 2.542 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430211408 393969117 /nfs/dbraw/zinc/96/91/17/393969117.db2.gz JAQSWFSZZXNLNJ-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1CSC ZINC000430224228 393970583 /nfs/dbraw/zinc/97/05/83/393970583.db2.gz YKWRFTPQPLVQLD-ZDUSSCGKSA-N 1 0 296.392 2.931 20 5 CFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000350667170 393979526 /nfs/dbraw/zinc/97/95/26/393979526.db2.gz AWTGDYYMZAYZNF-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO CC[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125471928 394007842 /nfs/dbraw/zinc/00/78/42/394007842.db2.gz ABNVJQMMRUCJDH-LBPRGKRZSA-N 1 0 264.325 2.706 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)NC(C)(C)C ZINC000487536087 394009385 /nfs/dbraw/zinc/00/93/85/394009385.db2.gz JZVBHJANIWJRCA-LLVKDONJSA-N 1 0 293.367 2.502 20 5 CFBDRO CCOCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130073547 394101695 /nfs/dbraw/zinc/10/16/95/394101695.db2.gz QRGNLACQJKHUMP-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CC(C)C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278755714 394062810 /nfs/dbraw/zinc/06/28/10/394062810.db2.gz SNAAYMKXVZBKDL-JTQLQIEISA-N 1 0 276.340 2.995 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278778124 394063689 /nfs/dbraw/zinc/06/36/89/394063689.db2.gz ZFXNWVYNRMYCKR-OAHLLOKOSA-N 1 0 286.335 2.698 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278896912 394064209 /nfs/dbraw/zinc/06/42/09/394064209.db2.gz ZBRYZFSSAZKVCZ-HOTGVXAUSA-N 1 0 292.379 2.969 20 5 CFBDRO C[NH2+][C@@H](C)CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420241471 394102995 /nfs/dbraw/zinc/10/29/95/394102995.db2.gz MYDOHNPWCBRGAG-LURJTMIESA-N 1 0 278.139 2.921 20 5 CFBDRO [NH3+]CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420146869 394085457 /nfs/dbraw/zinc/08/54/57/394085457.db2.gz RBNVVRPMBJBSPH-UHFFFAOYSA-N 1 0 264.112 2.662 20 5 CFBDRO CSCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000130471566 394111862 /nfs/dbraw/zinc/11/18/62/394111862.db2.gz ATWQPNYECNGKBJ-UHFFFAOYSA-N 1 0 254.355 2.828 20 5 CFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncccc1[N+](=O)[O-] ZINC000420274815 394112866 /nfs/dbraw/zinc/11/28/66/394112866.db2.gz KFNGJWRTVZUFRP-ZDUSSCGKSA-N 1 0 286.335 2.664 20 5 CFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000282337870 394123307 /nfs/dbraw/zinc/12/33/07/394123307.db2.gz VDEPNGCHTRARQR-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131060461 394125122 /nfs/dbraw/zinc/12/51/22/394125122.db2.gz KSXDAPLLBMAEAV-WCQYABFASA-N 1 0 266.341 2.715 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131060653 394125237 /nfs/dbraw/zinc/12/52/37/394125237.db2.gz KSXDAPLLBMAEAV-YPMHNXCESA-N 1 0 266.341 2.715 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420943517 394133490 /nfs/dbraw/zinc/13/34/90/394133490.db2.gz RCRVWSRHDZLYMX-AGIUHOORSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H]1C[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000420958431 394140164 /nfs/dbraw/zinc/14/01/64/394140164.db2.gz DSQCCACGDDALPA-TZMCWYRMSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047922 394144593 /nfs/dbraw/zinc/14/45/93/394144593.db2.gz OIEAKFWIKYBMJD-LBPRGKRZSA-N 1 0 295.358 2.820 20 5 CFBDRO Cc1cc(N(C)[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360081332 394145403 /nfs/dbraw/zinc/14/54/03/394145403.db2.gz DYXBILBXHJKJRM-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000360069927 394145765 /nfs/dbraw/zinc/14/57/65/394145765.db2.gz GFAILTJGIWOEIB-LBPRGKRZSA-N 1 0 293.342 2.715 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447554346 394152652 /nfs/dbraw/zinc/15/26/52/394152652.db2.gz ZZOKSKSVFAXSQR-LPWJVIDDSA-N 1 0 278.356 2.521 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)c(F)c1 ZINC000421006682 394155103 /nfs/dbraw/zinc/15/51/03/394155103.db2.gz BKNBCEBUIGPMFN-GFCCVEGCSA-N 1 0 296.342 2.718 20 5 CFBDRO COc1cccc(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000134912374 394206360 /nfs/dbraw/zinc/20/63/60/394206360.db2.gz PCSGDFUCNWCVIM-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108999 394214921 /nfs/dbraw/zinc/21/49/21/394214921.db2.gz WQKQHBMUIUFOQP-GFCCVEGCSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCC1 ZINC000449118715 394218858 /nfs/dbraw/zinc/21/88/58/394218858.db2.gz ZHKNXBMAHBJDQS-CYBMUJFWSA-N 1 0 292.379 2.811 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449139850 394227416 /nfs/dbraw/zinc/22/74/16/394227416.db2.gz LYRJHXCQFZOKOF-WOSRLPQWSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CC(C)(C)C ZINC000449150930 394230555 /nfs/dbraw/zinc/23/05/55/394230555.db2.gz UTZFNCUAZLAZAP-GXTWGEPZSA-N 1 0 294.395 2.913 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154810 394232364 /nfs/dbraw/zinc/23/23/64/394232364.db2.gz OLZVRBSVRFRKQA-DOMZBBRYSA-N 1 0 280.368 2.522 20 5 CFBDRO COc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290794752 394234262 /nfs/dbraw/zinc/23/42/62/394234262.db2.gz OXASNNVTGHYDAU-CMPLNLGQSA-N 1 0 291.351 2.641 20 5 CFBDRO CC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000421887397 394248771 /nfs/dbraw/zinc/24/87/71/394248771.db2.gz SRGHNSIWSWOLLP-RWMBFGLXSA-N 1 0 280.372 2.911 20 5 CFBDRO CC(C)C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000286169738 394194561 /nfs/dbraw/zinc/19/45/61/394194561.db2.gz PIZGNLAHLUSZLI-GFCCVEGCSA-N 1 0 280.372 2.565 20 5 CFBDRO Cc1c(CN[C@H]2CCCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423077709 394265418 /nfs/dbraw/zinc/26/54/18/394265418.db2.gz MWCUAMSLRLVXBD-KGLIPLIRSA-N 1 0 277.368 2.653 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC000449249503 394266885 /nfs/dbraw/zinc/26/68/85/394266885.db2.gz JHZVLDARGGLWKM-TZMCWYRMSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105598 394267902 /nfs/dbraw/zinc/26/79/02/394267902.db2.gz UNGBEMAHXUZUDS-CMPLNLGQSA-N 1 0 286.335 2.526 20 5 CFBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000292353411 394272974 /nfs/dbraw/zinc/27/29/74/394272974.db2.gz QWCCDXBHNBAKTD-OAHLLOKOSA-N 1 0 293.342 2.574 20 5 CFBDRO CC(C)[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292477407 394274699 /nfs/dbraw/zinc/27/46/99/394274699.db2.gz AEPATQPLFXSMSA-OAHLLOKOSA-N 1 0 278.352 2.576 20 5 CFBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000292689381 394276266 /nfs/dbraw/zinc/27/62/66/394276266.db2.gz RLIVDVBNMQQUQQ-NEPJUHHUSA-N 1 0 293.342 2.715 20 5 CFBDRO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292780387 394277259 /nfs/dbraw/zinc/27/72/59/394277259.db2.gz LTGXPEACHAFYHU-MRXNPFEDSA-N 1 0 289.379 2.825 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292459 394281432 /nfs/dbraw/zinc/28/14/32/394281432.db2.gz ZHBLDEDSDAVPNS-GWCFXTLKSA-N 1 0 298.770 2.984 20 5 CFBDRO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536034 394292995 /nfs/dbraw/zinc/29/29/95/394292995.db2.gz YXXQFPZEUDVEQK-NHYWBVRUSA-N 1 0 277.368 2.763 20 5 CFBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000297047533 394313147 /nfs/dbraw/zinc/31/31/47/394313147.db2.gz VLUXKVUVOJZYIU-OAHLLOKOSA-N 1 0 288.351 2.606 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000453322216 394385743 /nfs/dbraw/zinc/38/57/43/394385743.db2.gz AEBBCVJICASQLV-DMDPSCGWSA-N 1 0 296.367 2.804 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc([N+](=O)[O-])cc1 ZINC000178318541 394387216 /nfs/dbraw/zinc/38/72/16/394387216.db2.gz VAQUDCWVZDPIEH-JXJLXUTGSA-N 1 0 262.309 2.565 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)OC ZINC000535850288 394549041 /nfs/dbraw/zinc/54/90/41/394549041.db2.gz QHZQJEPXRAHIIW-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000540036191 394641524 /nfs/dbraw/zinc/64/15/24/394641524.db2.gz CIVIMQWFNDDKGY-SMDDNHRTSA-N 1 0 275.352 2.798 20 5 CFBDRO C[C@@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542485745 394704448 /nfs/dbraw/zinc/70/44/48/394704448.db2.gz IGCXNBZXIPKKLR-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000556954041 395027224 /nfs/dbraw/zinc/02/72/24/395027224.db2.gz QAGCFGNQVMVZCW-PMGBHYCQSA-N 1 0 289.379 2.634 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438203 394974103 /nfs/dbraw/zinc/97/41/03/394974103.db2.gz CKSLUARYJRNDPW-JSGCOSHPSA-N 1 0 291.395 2.896 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000222148807 397622062 /nfs/dbraw/zinc/62/20/62/397622062.db2.gz QIXJXZGOXGXXAM-GXSJLCMTSA-N 1 0 252.339 2.751 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000294948159 397633664 /nfs/dbraw/zinc/63/36/64/397633664.db2.gz ILASBOMOHQIPTK-ZWNOBZJWSA-N 1 0 266.341 2.795 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356848706 155393048 /nfs/dbraw/zinc/39/30/48/155393048.db2.gz OTJUKYHLMURVFR-NWDGAFQWSA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279776743 292295369 /nfs/dbraw/zinc/29/53/69/292295369.db2.gz NKRYUNBABXBJIN-BXUZGUMPSA-N 1 0 278.352 2.667 20 5 CFBDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000348060407 154301169 /nfs/dbraw/zinc/30/11/69/154301169.db2.gz GTCYQISFZPTVHX-NEPJUHHUSA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348128919 154332178 /nfs/dbraw/zinc/33/21/78/154332178.db2.gz WLHZHFBQXHHROH-UONOGXRCSA-N 1 0 260.337 2.916 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000348281472 154394242 /nfs/dbraw/zinc/39/42/42/154394242.db2.gz AKRWMQWXYCKSMC-NEPJUHHUSA-N 1 0 295.383 2.594 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000355045277 154896732 /nfs/dbraw/zinc/89/67/32/154896732.db2.gz WIVQDQOZLMCBEU-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000355781377 155085181 /nfs/dbraw/zinc/08/51/81/155085181.db2.gz WWONNOBWGATARY-KOLCDFICSA-N 1 0 270.354 2.561 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000362977666 156134173 /nfs/dbraw/zinc/13/41/73/156134173.db2.gz SSDLMBLIBQWKCH-HZMBPMFUSA-N 1 0 284.331 2.885 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000367100372 156282814 /nfs/dbraw/zinc/28/28/14/156282814.db2.gz OYBMDCMFHGOHIT-AWEZNQCLSA-N 1 0 276.336 2.644 20 5 CFBDRO CCC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000367703507 156377846 /nfs/dbraw/zinc/37/78/46/156377846.db2.gz DAKJLSZLNCFDTM-JONQDZQNSA-N 1 0 290.363 2.918 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375305615 157224519 /nfs/dbraw/zinc/22/45/19/157224519.db2.gz XIWKNMAQYHKMBI-HNNXBMFYSA-N 1 0 276.336 2.597 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375744186 157277408 /nfs/dbraw/zinc/27/74/08/157277408.db2.gz QRHORDIFDVJYKC-YIONKMFJSA-N 1 0 289.379 2.652 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000376008599 157313392 /nfs/dbraw/zinc/31/33/92/157313392.db2.gz SQLPWWYRRZLMDI-UKRRQHHQSA-N 1 0 276.336 2.657 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CC2)C1 ZINC000408175138 157383759 /nfs/dbraw/zinc/38/37/59/157383759.db2.gz QLFIDMRKXNJITJ-LBPRGKRZSA-N 1 0 276.336 2.768 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000408309063 157392055 /nfs/dbraw/zinc/39/20/55/157392055.db2.gz LDILFEQVRMWBAO-GFCCVEGCSA-N 1 0 294.399 2.977 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)C)CC2)c1 ZINC000338636234 161576835 /nfs/dbraw/zinc/57/68/35/161576835.db2.gz NOAMLJODMMVVMK-UHFFFAOYSA-N 1 0 293.367 2.888 20 5 CFBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000343433630 161764674 /nfs/dbraw/zinc/76/46/74/161764674.db2.gz ZSGRDQCWWIVFFD-UHFFFAOYSA-N 1 0 295.383 2.770 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000343804894 161865536 /nfs/dbraw/zinc/86/55/36/161865536.db2.gz KIHDXFLJLUWWDF-MRVPVSSYSA-N 1 0 289.282 2.558 20 5 CFBDRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000344370937 162025748 /nfs/dbraw/zinc/02/57/48/162025748.db2.gz OLZQNSUQZGQBDV-VOKGJARPSA-N 1 0 276.336 2.624 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000344408276 162038225 /nfs/dbraw/zinc/03/82/25/162038225.db2.gz KSADVUQQVDWCAE-INIZCTEOSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344430343 162042233 /nfs/dbraw/zinc/04/22/33/162042233.db2.gz JROLOXXITBNZMC-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC2=CCCOC2)cc1 ZINC000344626981 162084417 /nfs/dbraw/zinc/08/44/17/162084417.db2.gz LVWFYLIWGWAEIS-UHFFFAOYSA-N 1 0 290.363 2.854 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)COC1 ZINC000344743424 162112645 /nfs/dbraw/zinc/11/26/45/162112645.db2.gz RVRRQORYOHJLOR-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C(C)C ZINC000344790471 162122423 /nfs/dbraw/zinc/12/24/23/162122423.db2.gz JCTIJBVGQNQNSX-BLMSOEDDSA-N 1 0 278.352 2.605 20 5 CFBDRO CCC[C@@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344821894 162128227 /nfs/dbraw/zinc/12/82/27/162128227.db2.gz JDPBTZBRGPJTSV-INDWDQIESA-N 1 0 278.352 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000344828340 162130257 /nfs/dbraw/zinc/13/02/57/162130257.db2.gz PSCDFNVPWPWHJL-IIUKIDADSA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2SC)cc1[N+](=O)[O-] ZINC000344957817 162152887 /nfs/dbraw/zinc/15/28/87/162152887.db2.gz PVEHQQWXSUAUNV-ZWNOBZJWSA-N 1 0 282.365 2.587 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C=C[C@@H](CO)C1 ZINC000345042060 162166459 /nfs/dbraw/zinc/16/64/59/162166459.db2.gz XPTDUGWZJHIMLU-UZKRYLTISA-N 1 0 288.347 2.525 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000346115319 162321950 /nfs/dbraw/zinc/32/19/50/162321950.db2.gz WWEBCDVPNKPGIW-AAEUAGOBSA-N 1 0 266.341 2.571 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000346163281 162334877 /nfs/dbraw/zinc/33/48/77/162334877.db2.gz LSZAJWMPOSBXPU-NWDGAFQWSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346180484 162341603 /nfs/dbraw/zinc/34/16/03/162341603.db2.gz BYWNFCJJUOFUES-KBPBESRZSA-N 1 0 291.395 2.552 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc[nH]n1 ZINC000350039058 163051360 /nfs/dbraw/zinc/05/13/60/163051360.db2.gz WYRLIMHBMKFUNX-JTQLQIEISA-N 1 0 260.297 2.511 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000350099047 163059214 /nfs/dbraw/zinc/05/92/14/163059214.db2.gz MMNGFUTZIRRUIZ-KGLIPLIRSA-N 1 0 278.352 2.806 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccco2)n1 ZINC000351519759 163139385 /nfs/dbraw/zinc/13/93/85/163139385.db2.gz VJNKBQJOISKMOV-STQMWFEESA-N 1 0 290.323 2.658 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000352692662 163223400 /nfs/dbraw/zinc/22/34/00/163223400.db2.gz IDXYNXNGEAEEMH-UHFFFAOYSA-N 1 0 284.331 2.718 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000352833626 163248584 /nfs/dbraw/zinc/24/85/84/163248584.db2.gz SQSDLHORKLYNMS-CQSZACIVSA-N 1 0 282.315 2.783 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CCO)CCCC1 ZINC000352926095 163272064 /nfs/dbraw/zinc/27/20/64/163272064.db2.gz SUBNEAKZSUGNNF-ALCCZGGFSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353026315 163291063 /nfs/dbraw/zinc/29/10/63/163291063.db2.gz USJPXUDMZILEEY-LLVKDONJSA-N 1 0 286.278 2.656 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000353032689 163292843 /nfs/dbraw/zinc/29/28/43/163292843.db2.gz HIRHBKOYSYDLJW-PWSUYJOCSA-N 1 0 266.366 2.744 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353032089 163293529 /nfs/dbraw/zinc/29/35/29/163293529.db2.gz WUVNBLLUJHOOEX-SNVBAGLBSA-N 1 0 286.278 2.656 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)C1CCCC1 ZINC000353078007 163303714 /nfs/dbraw/zinc/30/37/14/163303714.db2.gz GCEGZMYBDXHDIN-HMZQOCAUSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)on1 ZINC000353081798 163303855 /nfs/dbraw/zinc/30/38/55/163303855.db2.gz FEMHKZWTMSFXBQ-UHFFFAOYSA-N 1 0 275.308 2.532 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353091790 163305018 /nfs/dbraw/zinc/30/50/18/163305018.db2.gz IGCTUILLQQHHAG-LBPRGKRZSA-N 1 0 297.374 2.944 20 5 CFBDRO Cc1ccc(C[NH2+]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000353231385 163322405 /nfs/dbraw/zinc/32/24/05/163322405.db2.gz JEBFTVVLVUSUGI-UHFFFAOYSA-N 1 0 278.230 2.529 20 5 CFBDRO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000353327424 163346429 /nfs/dbraw/zinc/34/64/29/163346429.db2.gz BWBCVNHWESWRDH-HNNXBMFYSA-N 1 0 289.379 2.572 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353507727 163381270 /nfs/dbraw/zinc/38/12/70/163381270.db2.gz CNFKWZCQLBQSQT-DZGCQCFKSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000007378285 170280912 /nfs/dbraw/zinc/28/09/12/170280912.db2.gz JENRSFQRQQESIK-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO CN(C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000020122408 171002721 /nfs/dbraw/zinc/00/27/21/171002721.db2.gz SCDGZEADIPYBDK-AWEZNQCLSA-N 1 0 289.335 2.580 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000021504365 171307193 /nfs/dbraw/zinc/30/71/93/171307193.db2.gz FRPOMFVKZCJKST-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000284944074 196162284 /nfs/dbraw/zinc/16/22/84/196162284.db2.gz WSSWLZUPOLDUOJ-CABCVRRESA-N 1 0 294.326 2.877 20 5 CFBDRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084435 196193173 /nfs/dbraw/zinc/19/31/73/196193173.db2.gz JSUPZQYPERZCJF-NSHDSACASA-N 1 0 295.383 2.890 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000035258962 172090953 /nfs/dbraw/zinc/09/09/53/172090953.db2.gz UYIVMCWLYSPSOQ-CQSZACIVSA-N 1 0 291.395 2.867 20 5 CFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000035274542 172093995 /nfs/dbraw/zinc/09/39/95/172093995.db2.gz JAZKITYCGKRPIL-NSHDSACASA-N 1 0 288.351 2.796 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107392 196197928 /nfs/dbraw/zinc/19/79/28/196197928.db2.gz KQJKPOXDHYBAEZ-VHSXEESVSA-N 1 0 281.381 2.581 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285143423 196206774 /nfs/dbraw/zinc/20/67/74/196206774.db2.gz LXNFPSJDTZRAGD-IJLUTSLNSA-N 1 0 293.367 2.643 20 5 CFBDRO C[N@H+](CCc1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000285329854 196252389 /nfs/dbraw/zinc/25/23/89/196252389.db2.gz NUQFWQXAQQBFES-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccs2)cc1 ZINC000035677737 172348484 /nfs/dbraw/zinc/34/84/84/172348484.db2.gz ORSXKTOTVFFONZ-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO CN(Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285393702 196271532 /nfs/dbraw/zinc/27/15/32/196271532.db2.gz DSVNDMWNAOPFQB-MZBDJJRSSA-N 1 0 289.379 2.652 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447677 196286530 /nfs/dbraw/zinc/28/65/30/196286530.db2.gz ZHYHPMPLBQUZSW-LLVKDONJSA-N 1 0 295.383 2.626 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C(C)C ZINC000036722106 172659451 /nfs/dbraw/zinc/65/94/51/172659451.db2.gz NSQXWESBACWHMN-SNVBAGLBSA-N 1 0 252.314 2.738 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000037371698 173160606 /nfs/dbraw/zinc/16/06/06/173160606.db2.gz NJNABNQZIPKWGE-ZDUSSCGKSA-N 1 0 263.341 2.799 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044361 174052171 /nfs/dbraw/zinc/05/21/71/174052171.db2.gz PEGYIFIIMNHSST-VXGBXAGGSA-N 1 0 264.325 2.672 20 5 CFBDRO CCC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079335 174089341 /nfs/dbraw/zinc/08/93/41/174089341.db2.gz PEUWXQORVYDVRO-NSHDSACASA-N 1 0 252.314 2.752 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038088197 174100827 /nfs/dbraw/zinc/10/08/27/174100827.db2.gz CSPJRTPPDMGKDS-NWDGAFQWSA-N 1 0 265.357 2.504 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C ZINC000040493693 174293452 /nfs/dbraw/zinc/29/34/52/174293452.db2.gz WQTHREUDJFIFEC-UHFFFAOYSA-N 1 0 252.314 2.739 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000040503287 174300029 /nfs/dbraw/zinc/30/00/29/174300029.db2.gz MHQUNWQICCZMLF-ZDUSSCGKSA-N 1 0 263.341 2.799 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044534300 175197822 /nfs/dbraw/zinc/19/78/22/175197822.db2.gz UKAZFNOYKOWBAQ-KGLIPLIRSA-N 1 0 291.395 2.896 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044685471 175231340 /nfs/dbraw/zinc/23/13/40/175231340.db2.gz RGHARTFMZMAQCM-TZMCWYRMSA-N 1 0 289.379 2.791 20 5 CFBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000044993024 175286782 /nfs/dbraw/zinc/28/67/82/175286782.db2.gz VMUOEMPUIWLEIE-CQSZACIVSA-N 1 0 291.395 2.601 20 5 CFBDRO CCCNC(=O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000045072296 175301668 /nfs/dbraw/zinc/30/16/68/175301668.db2.gz BUZVDGAQIMZOGU-AWEZNQCLSA-N 1 0 293.367 2.552 20 5 CFBDRO Cc1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000076867911 177125133 /nfs/dbraw/zinc/12/51/33/177125133.db2.gz VGVDFTFDMDVUDZ-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000078514728 177348500 /nfs/dbraw/zinc/34/85/00/177348500.db2.gz DWFKUZWPDIKUIY-GFCCVEGCSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@H]([NH2+]CC1=CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000397782552 270319262 /nfs/dbraw/zinc/31/92/62/270319262.db2.gz ZQGYYKASXNOHRY-NSHDSACASA-N 1 0 262.309 2.592 20 5 CFBDRO Cc1ncsc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000391155222 262385110 /nfs/dbraw/zinc/38/51/10/262385110.db2.gz DDCGPQPXNUDJMR-UHFFFAOYSA-N 1 0 283.378 2.754 20 5 CFBDRO CCC[N@H+](CC)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284118176 263085963 /nfs/dbraw/zinc/08/59/63/263085963.db2.gz NQQNZXXJWOIOKE-LBPRGKRZSA-N 1 0 294.399 2.560 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000518972128 265264325 /nfs/dbraw/zinc/26/43/25/265264325.db2.gz NMWQUTMZRXEMJG-LNSITVRQSA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@@H]([NH2+]CCCOC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000194033467 270242173 /nfs/dbraw/zinc/24/21/73/270242173.db2.gz QUWXTUJDWXZNQI-SECBINFHSA-N 1 0 274.267 2.875 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000250105886 270272078 /nfs/dbraw/zinc/27/20/78/270272078.db2.gz SACGKGWKCROSMR-KCPJHIHWSA-N 1 0 292.379 2.665 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC1 ZINC000264511987 270275883 /nfs/dbraw/zinc/27/58/83/270275883.db2.gz KINJPOQODOJFMM-UHFFFAOYSA-N 1 0 250.298 2.636 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316198918 270294410 /nfs/dbraw/zinc/29/44/10/270294410.db2.gz PFPZXKNOLQMXSI-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000342706945 270302514 /nfs/dbraw/zinc/30/25/14/270302514.db2.gz HZDQXSBUEXWFAD-SLEUVZQESA-N 1 0 277.368 2.728 20 5 CFBDRO CC[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424378130 270333353 /nfs/dbraw/zinc/33/33/53/270333353.db2.gz SEXYNLAIOUYIAN-QLFBSQMISA-N 1 0 277.368 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000514825274 270355175 /nfs/dbraw/zinc/35/51/75/270355175.db2.gz PMUIHGHZZCESRZ-HNNXBMFYSA-N 1 0 292.379 2.668 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCc2cncn2C)cccc1[N+](=O)[O-] ZINC000530407312 270790692 /nfs/dbraw/zinc/79/06/92/270790692.db2.gz OTBPIUQRPRWEJA-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169229 273543319 /nfs/dbraw/zinc/54/33/19/273543319.db2.gz OCZKWCXVAGEATA-GXTWGEPZSA-N 1 0 280.368 2.522 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279048052 273546702 /nfs/dbraw/zinc/54/67/02/273546702.db2.gz JXWZHBFJOPFESV-GJZGRUSLSA-N 1 0 292.379 2.924 20 5 CFBDRO CC1(C)C[C@H](NC2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000332026521 273588885 /nfs/dbraw/zinc/58/88/85/273588885.db2.gz VDYWJSAYVJCDBP-HNNXBMFYSA-N 1 0 289.379 2.659 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000301113095 273642118 /nfs/dbraw/zinc/64/21/18/273642118.db2.gz ZXOQTOREDBUSGI-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000450857812 273744252 /nfs/dbraw/zinc/74/42/52/273744252.db2.gz KKRPOLUJBPDPCJ-ZDUSSCGKSA-N 1 0 292.383 2.527 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417329035 274056626 /nfs/dbraw/zinc/05/66/26/274056626.db2.gz JGLAQLJFWIQWRP-NHYWBVRUSA-N 1 0 278.352 2.987 20 5 CFBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000352545253 274065307 /nfs/dbraw/zinc/06/53/07/274065307.db2.gz HUANZGIUTHYBKQ-DGCLKSJQSA-N 1 0 264.325 2.685 20 5 CFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000411887465 274086265 /nfs/dbraw/zinc/08/62/65/274086265.db2.gz OICLFIFJWGIPST-WBVHZDCISA-N 1 0 298.342 2.997 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)n1 ZINC000359109249 274686450 /nfs/dbraw/zinc/68/64/50/274686450.db2.gz NWQNRGNOPSCIAM-UHFFFAOYSA-N 1 0 290.367 2.645 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000148564409 275033466 /nfs/dbraw/zinc/03/34/66/275033466.db2.gz ALWDUXLTXNAYHR-GHMZBOCLSA-N 1 0 296.758 2.682 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266926066 275039820 /nfs/dbraw/zinc/03/98/20/275039820.db2.gz NKMYOOMAGNXWAY-CYBMUJFWSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000342068645 275039833 /nfs/dbraw/zinc/03/98/33/275039833.db2.gz TYGVDOUZQGJVTQ-AWEZNQCLSA-N 1 0 278.352 2.722 20 5 CFBDRO CC(C)(CO)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000339726248 275550200 /nfs/dbraw/zinc/55/02/00/275550200.db2.gz UATXIMUAFJROGG-CQSZACIVSA-N 1 0 296.342 2.621 20 5 CFBDRO CCC[NH2+]CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423310493 276017624 /nfs/dbraw/zinc/01/76/24/276017624.db2.gz NMLQEQQBRNMWAT-OAHLLOKOSA-N 1 0 291.395 2.906 20 5 CFBDRO CC(C)c1ccc(CN2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347036459 276052867 /nfs/dbraw/zinc/05/28/67/276052867.db2.gz GXXZHOFNYBHPHP-CQSZACIVSA-N 1 0 291.395 2.889 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000267282395 276073552 /nfs/dbraw/zinc/07/35/52/276073552.db2.gz VOXLNMDWTAFMFL-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[NH+](CC)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352559726 276095656 /nfs/dbraw/zinc/09/56/56/276095656.db2.gz DJZILJDWXTYQJW-UHFFFAOYSA-N 1 0 293.411 2.801 20 5 CFBDRO CCN(C)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417336313 276305998 /nfs/dbraw/zinc/30/59/98/276305998.db2.gz HNDXKFLGMVELSF-MRXNPFEDSA-N 1 0 291.395 2.904 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000277158391 276870519 /nfs/dbraw/zinc/87/05/19/276870519.db2.gz LKDPVOFWABDVDO-LBPRGKRZSA-N 1 0 281.331 2.654 20 5 CFBDRO C[NH2+]CCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346666878 277023882 /nfs/dbraw/zinc/02/38/82/277023882.db2.gz DPYRSIVDCQDCRO-UHFFFAOYSA-N 1 0 289.335 2.506 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000374982378 277042500 /nfs/dbraw/zinc/04/25/00/277042500.db2.gz BHOCHPHXRLGZAM-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000286316197 277069881 /nfs/dbraw/zinc/06/98/81/277069881.db2.gz UJMPNCBNNMFHSL-YPMHNXCESA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000364302345 277147148 /nfs/dbraw/zinc/14/71/48/277147148.db2.gz IKBVQKKDACGSPH-QMTHXVAHSA-N 1 0 295.770 2.779 20 5 CFBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245520612 277337446 /nfs/dbraw/zinc/33/74/46/277337446.db2.gz JVJCWSFQLQJTQW-RYUDHWBXSA-N 1 0 294.351 2.705 20 5 CFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411952713 277357682 /nfs/dbraw/zinc/35/76/82/277357682.db2.gz RIRVJIBUFBZOBU-IAQYHMDHSA-N 1 0 278.352 2.888 20 5 CFBDRO CC(C)CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000348932099 277380099 /nfs/dbraw/zinc/38/00/99/277380099.db2.gz DDLUNPHTBMQJPJ-UHFFFAOYSA-N 1 0 279.384 2.614 20 5 CFBDRO C[C@H](CSCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000358777263 278215792 /nfs/dbraw/zinc/21/57/92/278215792.db2.gz FCAXPDVDNZMLIT-SNVBAGLBSA-N 1 0 254.355 2.778 20 5 CFBDRO C[C@H]([NH2+]C1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176923 278253694 /nfs/dbraw/zinc/25/36/94/278253694.db2.gz VGXOEHIPTOUWIO-JKDOVBDQSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000449164982 278284368 /nfs/dbraw/zinc/28/43/68/278284368.db2.gz SFPWHXHZMZPSEH-AGIUHOORSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccn1 ZINC000449061839 278298382 /nfs/dbraw/zinc/29/83/82/278298382.db2.gz HSMCXWDNTPFVTI-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CCC1 ZINC000449304584 278298900 /nfs/dbraw/zinc/29/89/00/278298900.db2.gz ZKEPVZFLFKDZPS-SWLSCSKDSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000300415765 278385637 /nfs/dbraw/zinc/38/56/37/278385637.db2.gz YWIFKUIKSSBFME-WZRBSPASSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000295836868 278389322 /nfs/dbraw/zinc/38/93/22/278389322.db2.gz ZFPKNYSHQQOMTM-UZWSLXQKSA-N 1 0 264.325 2.811 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278629396 278851993 /nfs/dbraw/zinc/85/19/93/278851993.db2.gz GVXWBZTZYOSVGK-XFBWCDHKSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423358657 288091696 /nfs/dbraw/zinc/09/16/96/288091696.db2.gz JPTOTPWVJPZPHN-CQDKDKBSSA-N 1 0 277.368 2.634 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357041216 279082980 /nfs/dbraw/zinc/08/29/80/279082980.db2.gz QLBDXAKZVQQNIJ-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N(C)C ZINC000279013208 279348758 /nfs/dbraw/zinc/34/87/58/279348758.db2.gz HCELCZHBYFTJKG-IAQYHMDHSA-N 1 0 291.395 2.857 20 5 CFBDRO C[C@H](C[C@H](C)O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341332992 279371060 /nfs/dbraw/zinc/37/10/60/279371060.db2.gz YDXPNDSWOAQCIV-TYNCELHUSA-N 1 0 292.379 2.665 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037155224 279388121 /nfs/dbraw/zinc/38/81/21/279388121.db2.gz MAEIKEXFZQNHMR-VXGBXAGGSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C1CCCCC1 ZINC000181443746 279473235 /nfs/dbraw/zinc/47/32/35/279473235.db2.gz YBSNDGPOTRYFBR-OLZOCXBDSA-N 1 0 294.399 2.986 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286434996 279996907 /nfs/dbraw/zinc/99/69/07/279996907.db2.gz SDANVJYKPBWIPK-WFASDCNBSA-N 1 0 275.352 2.658 20 5 CFBDRO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293827721 280068085 /nfs/dbraw/zinc/06/80/85/280068085.db2.gz WKITVXAOBZWJNU-KMUNFCNLSA-N 1 0 276.336 2.739 20 5 CFBDRO C[C@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000344395748 280167723 /nfs/dbraw/zinc/16/77/23/280167723.db2.gz RTQNFVIZFQNWIJ-GJZGRUSLSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC23CC3)n1 ZINC000417342682 280377328 /nfs/dbraw/zinc/37/73/28/280377328.db2.gz SKLPBBBQZOJWGF-RWMBFGLXSA-N 1 0 290.367 2.665 20 5 CFBDRO CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000126256191 280651054 /nfs/dbraw/zinc/65/10/54/280651054.db2.gz JPICVHMDHKYFQJ-CFVMTHIKSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189930805 280881848 /nfs/dbraw/zinc/88/18/48/280881848.db2.gz YDNGIHPMDBMUSM-DOMZBBRYSA-N 1 0 278.352 2.544 20 5 CFBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191876051 280907212 /nfs/dbraw/zinc/90/72/12/280907212.db2.gz OEKLRJCYOYSXCH-KBPBESRZSA-N 1 0 294.399 2.986 20 5 CFBDRO COc1ccc(C[NH2+]C(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC000230673816 280938153 /nfs/dbraw/zinc/93/81/53/280938153.db2.gz SGIFFIGNMBILES-UHFFFAOYSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000296382275 280952532 /nfs/dbraw/zinc/95/25/32/280952532.db2.gz JQQCKROSSIZTRB-KPXOXKRLSA-N 1 0 288.294 2.650 20 5 CFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000249355249 281055768 /nfs/dbraw/zinc/05/57/68/281055768.db2.gz AAGOTILASYMVFV-MXWKQRLJSA-N 1 0 298.412 2.830 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000276187403 281126336 /nfs/dbraw/zinc/12/63/36/281126336.db2.gz HTQHXRTUQZMSLB-DTWKUNHWSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000305672122 281154354 /nfs/dbraw/zinc/15/43/54/281154354.db2.gz XMNZKKZYUMIGMW-OBJOEFQTSA-N 1 0 278.352 2.749 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397797580 281202547 /nfs/dbraw/zinc/20/25/47/281202547.db2.gz URFCPCGIYSIZBH-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000397824721 281202601 /nfs/dbraw/zinc/20/26/01/281202601.db2.gz GBOHAYVQBPCKCJ-ZYHUDNBSSA-N 1 0 266.366 2.887 20 5 CFBDRO CC[C@@H]([NH2+]CC1=CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000397814138 281202608 /nfs/dbraw/zinc/20/26/08/281202608.db2.gz DWOGHCFHDUZSGV-OAHLLOKOSA-N 1 0 276.336 2.982 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000397825917 281202856 /nfs/dbraw/zinc/20/28/56/281202856.db2.gz IYJWZPNSRIUPBH-GFCCVEGCSA-N 1 0 276.336 2.901 20 5 CFBDRO Cc1cccc(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000188374909 281225185 /nfs/dbraw/zinc/22/51/85/281225185.db2.gz JWSQFPUAEBJGJC-UHFFFAOYSA-N 1 0 277.368 2.870 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000527198003 281325824 /nfs/dbraw/zinc/32/58/24/281325824.db2.gz UCXPINIATOJUAI-MNOVXSKESA-N 1 0 252.314 2.589 20 5 CFBDRO COCC1([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000538552194 281555136 /nfs/dbraw/zinc/55/51/36/281555136.db2.gz SUNMVWUMLZDQGL-LBPRGKRZSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000548722674 281797673 /nfs/dbraw/zinc/79/76/73/281797673.db2.gz PPBHTRRFOBLFRG-OAHLLOKOSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCOC1 ZINC000549550690 281817068 /nfs/dbraw/zinc/81/70/68/281817068.db2.gz MEASZZXTMYBVTP-QTEJZOKPSA-N 1 0 276.336 2.624 20 5 CFBDRO CC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000562364507 282078108 /nfs/dbraw/zinc/07/81/08/282078108.db2.gz FRIHLROOXOWAJQ-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037177175 289992320 /nfs/dbraw/zinc/99/23/20/289992320.db2.gz KVHCWRITJUNFBI-MJVIPROJSA-N 1 0 264.325 2.813 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)CCO)cc1[N+](=O)[O-] ZINC000153936077 289880306 /nfs/dbraw/zinc/88/03/06/289880306.db2.gz VVJACBZTTLNMEK-AAEUAGOBSA-N 1 0 296.367 2.805 20 5 CFBDRO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000266786822 290061710 /nfs/dbraw/zinc/06/17/10/290061710.db2.gz OINLXPCLXNLMLL-XNJJOIOASA-N 1 0 298.342 2.904 20 5 CFBDRO COc1ccc(CSCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000563079421 290100888 /nfs/dbraw/zinc/10/08/88/290100888.db2.gz GDEBWJXDNIYRKV-UHFFFAOYSA-N 1 0 296.392 2.836 20 5 CFBDRO COc1cc(C[N@H+](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000563707339 290169079 /nfs/dbraw/zinc/16/90/79/290169079.db2.gz LXHNQBFXIIOUMM-UHFFFAOYSA-N 1 0 270.304 2.973 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820082 290176883 /nfs/dbraw/zinc/17/68/83/290176883.db2.gz BZYQLDPQYJRCHQ-SMDDNHRTSA-N 1 0 278.352 2.844 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(CO)c1 ZINC000563821997 290176964 /nfs/dbraw/zinc/17/69/64/290176964.db2.gz ZKPAQXCBRDINSB-MRXNPFEDSA-N 1 0 298.342 2.864 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c(F)c1 ZINC000563870191 290180332 /nfs/dbraw/zinc/18/03/32/290180332.db2.gz BTDKBURESHEBKW-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000564311135 290201985 /nfs/dbraw/zinc/20/19/85/290201985.db2.gz MMMJPPXGYQLMOB-HMDMIVDLSA-N 1 0 276.336 2.717 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000408244533 290268030 /nfs/dbraw/zinc/26/80/30/290268030.db2.gz CLEHZOZDRUZFIS-IUODEOHRSA-N 1 0 276.336 2.768 20 5 CFBDRO CC[C@@](C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000565434909 290301837 /nfs/dbraw/zinc/30/18/37/290301837.db2.gz WQLHJVXZJLOJHZ-ZFWWWQNUSA-N 1 0 278.352 2.987 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000565726648 290320426 /nfs/dbraw/zinc/32/04/26/290320426.db2.gz VYGXOQLOMMQJRM-HUBLWGQQSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242814 290361532 /nfs/dbraw/zinc/36/15/32/290361532.db2.gz KZOYDHSLVQJJRM-CJNGLKHVSA-N 1 0 289.379 2.731 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475892 290391359 /nfs/dbraw/zinc/39/13/59/290391359.db2.gz QSBMYPGXWNZQNG-BXUZGUMPSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C)O1 ZINC000566475156 290391397 /nfs/dbraw/zinc/39/13/97/290391397.db2.gz KQYNWHXMOJFEQX-ZAZJYDDPSA-N 1 0 290.363 2.985 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566866081 290423355 /nfs/dbraw/zinc/42/33/55/290423355.db2.gz HTQSBVTWMSYXTL-NFAWXSAZSA-N 1 0 276.336 2.739 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358309226 293036688 /nfs/dbraw/zinc/03/66/88/293036688.db2.gz UHMQXNHKEWPFNJ-KCQAQPDRSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037155220 298926434 /nfs/dbraw/zinc/92/64/34/298926434.db2.gz MAEIKEXFZQNHMR-NEPJUHHUSA-N 1 0 274.324 2.531 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424290494 301869473 /nfs/dbraw/zinc/86/94/73/301869473.db2.gz MRLIJJKJVXAEOU-NILFDRSVSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H](C)O ZINC000570266929 322523177 /nfs/dbraw/zinc/52/31/77/322523177.db2.gz MXDBLCWVLSZIQO-RYUDHWBXSA-N 1 0 266.341 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCSC3)c2c1 ZINC000572916673 322637080 /nfs/dbraw/zinc/63/70/80/322637080.db2.gz LRDNTGZRBYFWEY-LLVKDONJSA-N 1 0 291.376 2.714 20 5 CFBDRO C[C@@H](Cc1ccoc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000573070261 322642784 /nfs/dbraw/zinc/64/27/84/322642784.db2.gz UNBUCKCFUQCCKN-LBPRGKRZSA-N 1 0 290.319 2.787 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000182266679 323852311 /nfs/dbraw/zinc/85/23/11/323852311.db2.gz IYYJGZQRPHEAAS-HIFRSBDPSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000183034116 323895299 /nfs/dbraw/zinc/89/52/99/323895299.db2.gz DOIFVOYQTFWLDX-VXGBXAGGSA-N 1 0 266.341 2.998 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000183049688 323896828 /nfs/dbraw/zinc/89/68/28/323896828.db2.gz JVPOCQHNOHMAKP-JQWIXIFHSA-N 1 0 293.367 2.866 20 5 CFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000387621190 324495877 /nfs/dbraw/zinc/49/58/77/324495877.db2.gz BWQWRPWIHPYRAG-LBPRGKRZSA-N 1 0 293.367 2.866 20 5 CFBDRO Cc1cc(OCC[C@H]2CC[NH2+]C2)c(Cl)cc1[N+](=O)[O-] ZINC000396653852 324544447 /nfs/dbraw/zinc/54/44/47/324544447.db2.gz PJHYVBMKUOXHEH-SNVBAGLBSA-N 1 0 284.743 2.935 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576655706 324643648 /nfs/dbraw/zinc/64/36/48/324643648.db2.gz AWQKKPCBSBYRDQ-LLVKDONJSA-N 1 0 274.324 2.786 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579130396 324925003 /nfs/dbraw/zinc/92/50/03/324925003.db2.gz SGDVPXKZGRKXOL-HIFRSBDPSA-N 1 0 278.352 2.579 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581498722 325127744 /nfs/dbraw/zinc/12/77/44/325127744.db2.gz IDOMWJFOQMUEGC-GWCFXTLKSA-N 1 0 264.325 2.597 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834487 325152094 /nfs/dbraw/zinc/15/20/94/325152094.db2.gz QJSIYCCKNGBYBI-IUODEOHRSA-N 1 0 289.379 2.656 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000584083535 325329177 /nfs/dbraw/zinc/32/91/77/325329177.db2.gz WUDCBENPJUBPEF-WOPDTQHZSA-N 1 0 266.341 2.977 20 5 CFBDRO CC(C)[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054111049 519625664 /nfs/dbraw/zinc/62/56/64/519625664.db2.gz JIXURDSLGGLFLO-GFCCVEGCSA-N 1 0 265.357 2.586 20 5 CFBDRO CCC(CC)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000361347335 521562183 /nfs/dbraw/zinc/56/21/83/521562183.db2.gz UOWPOFSBXJMQAL-UHFFFAOYSA-N 1 0 282.388 2.975 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414509393 534064839 /nfs/dbraw/zinc/06/48/39/534064839.db2.gz CJCWJSNNHYKUAN-BZPMIXESSA-N 1 0 278.352 2.806 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000413052496 534099843 /nfs/dbraw/zinc/09/98/43/534099843.db2.gz HSHZLAKIKWEKQE-QWRGUYRKSA-N 1 0 296.346 2.804 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245432190 520256059 /nfs/dbraw/zinc/25/60/59/520256059.db2.gz BDEWQVPNXUJUIU-ZIAGYGMSSA-N 1 0 291.395 2.929 20 5 CFBDRO CC1(C)CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000160267448 520404221 /nfs/dbraw/zinc/40/42/21/520404221.db2.gz ZGOUNOMPFGDJLA-GFCCVEGCSA-N 1 0 264.325 2.642 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+](CC)CC ZINC000360962381 520591361 /nfs/dbraw/zinc/59/13/61/520591361.db2.gz YLSQQFCQBCOVNG-UHFFFAOYSA-N 1 0 297.403 2.654 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000085676241 520670597 /nfs/dbraw/zinc/67/05/97/520670597.db2.gz CRJSTVHQWFZQME-KFWWJZLASA-N 1 0 290.363 2.888 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337214040 520725789 /nfs/dbraw/zinc/72/57/89/520725789.db2.gz DSANNPAJPZGLPM-AAEUAGOBSA-N 1 0 294.351 2.508 20 5 CFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000070015547 521150667 /nfs/dbraw/zinc/15/06/67/521150667.db2.gz JNWNFGKDUVBXAB-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171681988 521681744 /nfs/dbraw/zinc/68/17/44/521681744.db2.gz IGBHITMSMSCHAB-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO C[NH2+]CCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000053296384 522019909 /nfs/dbraw/zinc/01/99/09/522019909.db2.gz UZLFMFNCASPZGM-UHFFFAOYSA-N 1 0 277.349 2.789 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228082517 522732593 /nfs/dbraw/zinc/73/25/93/522732593.db2.gz ZSOOVZJVRINNNE-GYSYKLTISA-N 1 0 266.341 2.795 20 5 CFBDRO C[N@H+](CCc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000192660361 522977258 /nfs/dbraw/zinc/97/72/58/522977258.db2.gz LYWYISXQYGDWEW-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000192623366 523668475 /nfs/dbraw/zinc/66/84/75/523668475.db2.gz GSSGIXFMKFRFBY-NSHDSACASA-N 1 0 297.403 2.508 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000220302370 523922725 /nfs/dbraw/zinc/92/27/25/523922725.db2.gz YKCZCJPKPQOMBC-JTQLQIEISA-N 1 0 299.346 2.885 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000170915605 523922989 /nfs/dbraw/zinc/92/29/89/523922989.db2.gz WLAOMRBJIPJPQK-NSHDSACASA-N 1 0 252.314 2.704 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000068913204 524506828 /nfs/dbraw/zinc/50/68/28/524506828.db2.gz CGJVKNSJDWQIPN-SECBINFHSA-N 1 0 267.304 2.629 20 5 CFBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000062053119 524586532 /nfs/dbraw/zinc/58/65/32/524586532.db2.gz HOFPADRGTAQBRF-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173492985 524954764 /nfs/dbraw/zinc/95/47/64/524954764.db2.gz NZFJUCVOPVEUMX-GFCCVEGCSA-N 1 0 294.351 2.714 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000174258872 524955419 /nfs/dbraw/zinc/95/54/19/524955419.db2.gz RKOXGXNSWPIKBT-UHFFFAOYSA-N 1 0 294.351 2.714 20 5 CFBDRO Cc1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000049575315 525270802 /nfs/dbraw/zinc/27/08/02/525270802.db2.gz IKJOHUOWIRJNHZ-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO Cc1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000049575312 525279515 /nfs/dbraw/zinc/27/95/15/525279515.db2.gz CHFWUSSVBBUQGG-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO Cc1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000338296159 525281103 /nfs/dbraw/zinc/28/11/03/525281103.db2.gz RAIKGEYSZJPUJM-CQSZACIVSA-N 1 0 295.408 2.752 20 5 CFBDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000166306787 525404324 /nfs/dbraw/zinc/40/43/24/525404324.db2.gz FNDHIPITEZMHDU-XHDPSFHLSA-N 1 0 277.368 2.586 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087015686 525420858 /nfs/dbraw/zinc/42/08/58/525420858.db2.gz NMWOQCCVGKQQQC-LLVKDONJSA-N 1 0 264.325 2.551 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000338646559 525451112 /nfs/dbraw/zinc/45/11/12/525451112.db2.gz IGMIZSFNTJTLQN-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000222625025 525572808 /nfs/dbraw/zinc/57/28/08/525572808.db2.gz RQKHKTPWAKGNOU-COLVAYQJSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230152456 525597783 /nfs/dbraw/zinc/59/77/83/525597783.db2.gz SOSIBUMSVIEMDJ-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553664 525932058 /nfs/dbraw/zinc/93/20/58/525932058.db2.gz STSSAUKYOCBMDB-STQMWFEESA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000339398787 526055532 /nfs/dbraw/zinc/05/55/32/526055532.db2.gz XRCFUNFGEFKKHH-LBPRGKRZSA-N 1 0 290.323 2.999 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH+](C)C)CC1 ZINC000193840857 526077465 /nfs/dbraw/zinc/07/74/65/526077465.db2.gz YAQWZEOFWLXEIO-LBPRGKRZSA-N 1 0 277.368 2.682 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCOC2CCCC2)cs1 ZINC000070168408 527329718 /nfs/dbraw/zinc/32/97/18/527329718.db2.gz PLENGRQZSZETKN-UHFFFAOYSA-N 1 0 270.354 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CCO)c(Cl)c1 ZINC000050105179 527348222 /nfs/dbraw/zinc/34/82/22/527348222.db2.gz LEJJJWFEXQRIIT-GFCCVEGCSA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)cc1 ZINC000339514296 527351050 /nfs/dbraw/zinc/35/10/50/527351050.db2.gz ZEXJXPPSRMUKCI-OAHLLOKOSA-N 1 0 292.379 2.873 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCCCC2)c(F)c1 ZINC000313946975 527351758 /nfs/dbraw/zinc/35/17/58/527351758.db2.gz PFPJEYOKYKWSEH-UHFFFAOYSA-N 1 0 296.342 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000230147398 527353035 /nfs/dbraw/zinc/35/30/35/527353035.db2.gz RNFTYCWKEYXJBK-KBPBESRZSA-N 1 0 296.754 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000360537094 527386414 /nfs/dbraw/zinc/38/64/14/527386414.db2.gz OHWHKAVXWPGLHG-CABCVRRESA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000360537097 527387002 /nfs/dbraw/zinc/38/70/02/527387002.db2.gz OHWHKAVXWPGLHG-HUUCEWRRSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1ccccc1 ZINC000048436419 527401437 /nfs/dbraw/zinc/40/14/37/527401437.db2.gz RIJJEQAPNQXOKZ-UHFFFAOYSA-N 1 0 272.304 2.763 20 5 CFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000192477638 527409981 /nfs/dbraw/zinc/40/99/81/527409981.db2.gz IZTIPHZLPBGSOQ-UHFFFAOYSA-N 1 0 296.396 2.870 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000174823598 527413733 /nfs/dbraw/zinc/41/37/33/527413733.db2.gz RAQMEBFEXUYKHN-HNNXBMFYSA-N 1 0 292.383 2.836 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000425989120 527528420 /nfs/dbraw/zinc/52/84/20/527528420.db2.gz JDSIVZRRRLRQDS-SIRQDLBWSA-N 1 0 290.363 2.701 20 5 CFBDRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414219791 527718984 /nfs/dbraw/zinc/71/89/84/527718984.db2.gz IMWCHHQXIJRZGM-UTUOFQBUSA-N 1 0 278.356 2.663 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414861769 528099878 /nfs/dbraw/zinc/09/98/78/528099878.db2.gz GHAWNXLKXUKJQT-CYBMUJFWSA-N 1 0 277.368 2.560 20 5 CFBDRO CC(C)c1ccc(CNC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414787893 528100467 /nfs/dbraw/zinc/10/04/67/528100467.db2.gz CWMWAFQBIVVZDB-CQSZACIVSA-N 1 0 279.384 2.791 20 5 CFBDRO CCC[C@H](N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423283827 528235902 /nfs/dbraw/zinc/23/59/02/528235902.db2.gz WJCLEXUBNHUYJE-GJZGRUSLSA-N 1 0 277.368 2.763 20 5 CFBDRO CCOc1cc(NC2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000111047548 528326187 /nfs/dbraw/zinc/32/61/87/528326187.db2.gz JFIBBUUTGIAKCG-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[NH2+]CCN[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423246507 528334431 /nfs/dbraw/zinc/33/44/31/528334431.db2.gz NLRAPIJMYYVEIP-GFCCVEGCSA-N 1 0 297.424 2.665 20 5 CFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414658197 528949793 /nfs/dbraw/zinc/94/97/93/528949793.db2.gz LFERSSNKJWZRJC-LLVKDONJSA-N 1 0 294.355 2.542 20 5 CFBDRO CCCC[C@H](CN)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423299968 528953958 /nfs/dbraw/zinc/95/39/58/528953958.db2.gz QPMDXWKUZIXPMC-GXTWGEPZSA-N 1 0 279.384 2.633 20 5 CFBDRO CC[C@@H]([NH2+]CC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157465026 529156095 /nfs/dbraw/zinc/15/60/95/529156095.db2.gz QFKTWSPXIBTTPO-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO CC(C)[N@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000264017596 535053335 /nfs/dbraw/zinc/05/33/35/535053335.db2.gz VFTBNRGLMHZMQO-UHFFFAOYSA-N 1 0 266.341 2.578 20 5 CFBDRO CCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000266618229 535295690 /nfs/dbraw/zinc/29/56/90/535295690.db2.gz KFYCXHUAKZZNHU-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000459458600 535508997 /nfs/dbraw/zinc/50/89/97/535508997.db2.gz FKVDREXOLGAISE-MJBXVCDLSA-N 1 0 296.392 2.593 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000341783106 535589983 /nfs/dbraw/zinc/58/99/83/535589983.db2.gz VUCYXQBSWVCVDU-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000459758306 536796840 /nfs/dbraw/zinc/79/68/40/536796840.db2.gz LNJNZQWMOKQCJL-ZIAGYGMSSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000728563353 574101106 /nfs/dbraw/zinc/10/11/06/574101106.db2.gz SDWTYYDFPPPFGP-AWEZNQCLSA-N 1 0 286.335 2.776 20 5 CFBDRO CC(C)C[N@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000746056154 574132332 /nfs/dbraw/zinc/13/23/32/574132332.db2.gz VOXUPBYWLXHLDA-UHFFFAOYSA-N 1 0 266.345 2.649 20 5 CFBDRO Cc1ccc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000747211927 574187501 /nfs/dbraw/zinc/18/75/01/574187501.db2.gz SGINDSXQIAPXNI-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+](C)C)C2)c1 ZINC000756121715 574211429 /nfs/dbraw/zinc/21/14/29/574211429.db2.gz ZWYPBHLOHKOZQH-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1CCC1)OCCO2 ZINC000756135815 574212141 /nfs/dbraw/zinc/21/21/41/574212141.db2.gz PEZKGWUKRGJCFO-UHFFFAOYSA-N 1 0 292.335 2.646 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000740860571 574270249 /nfs/dbraw/zinc/27/02/49/574270249.db2.gz QTKSPDOYVIWOHH-QWRGUYRKSA-N 1 0 274.324 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756902198 574272097 /nfs/dbraw/zinc/27/20/97/574272097.db2.gz QVYHSHYUIZPHLB-SMDDNHRTSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881425 574272354 /nfs/dbraw/zinc/27/23/54/574272354.db2.gz BAAXAGXFLQERFM-ZJUUUORDSA-N 1 0 252.289 2.964 20 5 CFBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000749393663 574292972 /nfs/dbraw/zinc/29/29/72/574292972.db2.gz ZDCCMRUNWLHHFK-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749939565 574316672 /nfs/dbraw/zinc/31/66/72/574316672.db2.gz ACNBJLQAWJCELA-LLVKDONJSA-N 1 0 291.355 2.582 20 5 CFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750074348 574323284 /nfs/dbraw/zinc/32/32/84/574323284.db2.gz WGZWGWXGBQIRSO-NJZAAPMLSA-N 1 0 278.352 2.749 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892069925 617937617 /nfs/dbraw/zinc/93/76/17/617937617.db2.gz QIAAATZTVDZIKY-MNOVXSKESA-N 1 0 294.351 2.929 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049964289 618054296 /nfs/dbraw/zinc/05/42/96/618054296.db2.gz OXZFATGRWHPPCS-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@@H]1OC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000926113432 618111767 /nfs/dbraw/zinc/11/17/67/618111767.db2.gz QDRCTJHBZHDWFN-NRUUGDAUSA-N 1 0 298.770 2.804 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892445909 618281461 /nfs/dbraw/zinc/28/14/61/618281461.db2.gz CXPYFYDQCASUBD-PWSUYJOCSA-N 1 0 294.351 2.977 20 5 CFBDRO Cc1nn(C[N@H+](CC2CC2)CC2CCC2)cc1[N+](=O)[O-] ZINC000794712759 618445015 /nfs/dbraw/zinc/44/50/15/618445015.db2.gz XSWWWQUPMUWCLS-UHFFFAOYSA-N 1 0 278.356 2.569 20 5 CFBDRO CC(C)(C)[NH2+]Cc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398955 620806052 /nfs/dbraw/zinc/80/60/52/620806052.db2.gz OXNGORSEQDHSDX-UHFFFAOYSA-N 1 0 265.269 2.731 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[NH2+]C2(CCCCC2)C1 ZINC000895252869 618498486 /nfs/dbraw/zinc/49/84/86/618498486.db2.gz HYVVDURPHIVBDD-UHFFFAOYSA-N 1 0 281.381 2.769 20 5 CFBDRO Cc1cc(N2CC[C@H](CC[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000895324066 618533575 /nfs/dbraw/zinc/53/35/75/618533575.db2.gz CZZWLMYMRWPZFF-NSHDSACASA-N 1 0 283.397 2.743 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895347325 618540663 /nfs/dbraw/zinc/54/06/63/618540663.db2.gz GGRNZGGGSHGDHS-HAQNSBGRSA-N 1 0 284.743 2.905 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CSC1 ZINC000895421868 618582260 /nfs/dbraw/zinc/58/22/60/618582260.db2.gz LDYGOLOVOREFRL-WZUFQYTHSA-N 1 0 278.377 2.951 20 5 CFBDRO [NH3+]CC1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000236200448 618611006 /nfs/dbraw/zinc/61/10/06/618611006.db2.gz AHPMPYHDAYAUDC-UHFFFAOYSA-N 1 0 287.722 2.562 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000892936972 618774003 /nfs/dbraw/zinc/77/40/03/618774003.db2.gz NZVREPLJTVIZIQ-UHFFFAOYSA-N 1 0 276.292 2.529 20 5 CFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893107370 618834448 /nfs/dbraw/zinc/83/44/48/618834448.db2.gz BAZBVHHNWWFHOI-PWSUYJOCSA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)CO ZINC000925516606 618855640 /nfs/dbraw/zinc/85/56/40/618855640.db2.gz WYTCQBVACXGRAU-VIFPVBQESA-N 1 0 286.759 2.745 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C)CC(C)C)c1[N+](=O)[O-] ZINC000893183818 618870379 /nfs/dbraw/zinc/87/03/79/618870379.db2.gz PIWSPEKZNGHKRP-SNVBAGLBSA-N 1 0 282.340 2.833 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2(C3CC3)CC2)c1[N+](=O)[O-] ZINC000893190108 618873933 /nfs/dbraw/zinc/87/39/33/618873933.db2.gz VUSKBPHHJWKGIW-UHFFFAOYSA-N 1 0 292.335 2.589 20 5 CFBDRO CC(C)C[C@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697363 618911074 /nfs/dbraw/zinc/91/10/74/618911074.db2.gz COGFXWKYONNTBH-NSHDSACASA-N 1 0 276.296 2.691 20 5 CFBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931391586 618960135 /nfs/dbraw/zinc/96/01/35/618960135.db2.gz UCDKTDGIHXTUSN-BETUJISGSA-N 1 0 295.770 2.527 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCC(O)CC1 ZINC000893686756 619157011 /nfs/dbraw/zinc/15/70/11/619157011.db2.gz JYYMFHUIBZOMKB-UHFFFAOYSA-N 1 0 284.743 2.641 20 5 CFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000738055861 619316590 /nfs/dbraw/zinc/31/65/90/619316590.db2.gz NQZCZUHRISYCPJ-RYUDHWBXSA-N 1 0 266.345 2.649 20 5 CFBDRO CC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000792192515 619449343 /nfs/dbraw/zinc/44/93/43/619449343.db2.gz LLWKPRQFXNVHBS-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2(C3(C)CC3)CC2)c1[N+](=O)[O-] ZINC000894761468 619461627 /nfs/dbraw/zinc/46/16/27/619461627.db2.gz VGBUSKMBZOTVOQ-UHFFFAOYSA-N 1 0 292.335 2.731 20 5 CFBDRO Cc1c(C[NH2+]CCO[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000894792417 619470289 /nfs/dbraw/zinc/47/02/89/619470289.db2.gz BOYGMDZWSDSCES-OAHLLOKOSA-N 1 0 294.351 2.536 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3C=CCC3)nc2c1 ZINC000895528066 619547444 /nfs/dbraw/zinc/54/74/44/619547444.db2.gz SPRJDZOXKACWRB-JTQLQIEISA-N 1 0 273.292 2.792 20 5 CFBDRO C[C@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895738086 619597761 /nfs/dbraw/zinc/59/77/61/619597761.db2.gz SWVADRWOLMYHLN-HZMBPMFUSA-N 1 0 286.335 2.648 20 5 CFBDRO CC1([NH+]2CCC2)CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000896256171 619703919 /nfs/dbraw/zinc/70/39/19/619703919.db2.gz SICZKXXBHRMJNC-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000896512336 619747572 /nfs/dbraw/zinc/74/75/72/619747572.db2.gz NYUTWSQFHMKELA-OPQQBVKSSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(Cl)CC1 ZINC000925153988 619988654 /nfs/dbraw/zinc/98/86/54/619988654.db2.gz NPHQLLOPBBCCHV-JTQLQIEISA-N 1 0 268.744 2.887 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464353 620176752 /nfs/dbraw/zinc/17/67/52/620176752.db2.gz LOUHKDAEKOQAMH-YRGRVCCFSA-N 1 0 278.352 2.713 20 5 CFBDRO CO[C@H](C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897461372 620176894 /nfs/dbraw/zinc/17/68/94/620176894.db2.gz NQNAROCENLORCC-XHDPSFHLSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc(CO)o1)c1ccccc1[N+](=O)[O-] ZINC000897469245 620178357 /nfs/dbraw/zinc/17/83/57/620178357.db2.gz GTKHNXRHHFDYSA-NSHDSACASA-N 1 0 290.319 2.573 20 5 CFBDRO Cc1n[nH]cc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469584 620178375 /nfs/dbraw/zinc/17/83/75/620178375.db2.gz MYCBXQQOSIVZAB-JTQLQIEISA-N 1 0 274.324 2.520 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cccc1[N+](=O)[O-] ZINC000897501073 620192293 /nfs/dbraw/zinc/19/22/93/620192293.db2.gz MDGLIABXSAKQOC-GDBMZVCRSA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)c(F)c1 ZINC000897529264 620217027 /nfs/dbraw/zinc/21/70/27/620217027.db2.gz YLINRGUJJFSSOW-UHFFFAOYSA-N 1 0 294.326 2.519 20 5 CFBDRO CC(C)[N@H+](C)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054112514 620218644 /nfs/dbraw/zinc/21/86/44/620218644.db2.gz CZSAFKUFJIRFFO-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CCCC[C@H]2O)c1 ZINC000897539602 620227315 /nfs/dbraw/zinc/22/73/15/620227315.db2.gz KCUASPWSNAYGGY-UKRRQHHQSA-N 1 0 278.352 2.626 20 5 CFBDRO C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCOC1 ZINC000221353277 620234385 /nfs/dbraw/zinc/23/43/85/620234385.db2.gz QXJAKTQOJQARNK-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000925308107 620242078 /nfs/dbraw/zinc/24/20/78/620242078.db2.gz BEBDIYFNAWWHOL-ZBFHGGJFSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@H]1CC2(CC([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CO1 ZINC000897781363 620284235 /nfs/dbraw/zinc/28/42/35/620284235.db2.gz WDJJTXDJIDYYGD-FJJSSXBZSA-N 1 0 282.365 2.704 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cs1 ZINC000897952887 620310087 /nfs/dbraw/zinc/31/00/87/620310087.db2.gz KWBFELNTZVFSPN-GARJFASQSA-N 1 0 252.339 2.935 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000897957377 620311365 /nfs/dbraw/zinc/31/13/65/620311365.db2.gz CKRKPLDPQMIBGZ-BPLDGKMQSA-N 1 0 260.337 2.916 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832573951 625421180 /nfs/dbraw/zinc/42/11/80/625421180.db2.gz CBVPKWXUWUZFRY-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832565055 625418020 /nfs/dbraw/zinc/41/80/20/625418020.db2.gz NGIKUIUUUAWWNS-RISCZKNCSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000041123317 620430687 /nfs/dbraw/zinc/43/06/87/620430687.db2.gz OEYRGJFPYKKRBW-NSHDSACASA-N 1 0 276.296 2.609 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C/C=C\Cl ZINC000898430145 620463330 /nfs/dbraw/zinc/46/33/30/620463330.db2.gz VPGUQWDHDYPWMO-JNWMYZIBSA-N 1 0 252.701 2.924 20 5 CFBDRO CC[C@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428953 621076014 /nfs/dbraw/zinc/07/60/14/621076014.db2.gz INPCPBHDCUXOGG-SNPRPXQTSA-N 1 0 291.395 2.819 20 5 CFBDRO CC[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902446004 621083911 /nfs/dbraw/zinc/08/39/11/621083911.db2.gz NQWVGWGAUSRYFX-UONOGXRCSA-N 1 0 277.368 2.634 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCCN1C(C)C ZINC000902680706 621147203 /nfs/dbraw/zinc/14/72/03/621147203.db2.gz RFJFICKMDJUSHI-CYBMUJFWSA-N 1 0 292.335 2.681 20 5 CFBDRO CCOCCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056739 621236121 /nfs/dbraw/zinc/23/61/21/621236121.db2.gz YDUQORPFOMXBMC-LLVKDONJSA-N 1 0 282.340 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903080261 621245457 /nfs/dbraw/zinc/24/54/57/621245457.db2.gz PWKZQXXUTVIYPN-SCVCMEIPSA-N 1 0 264.325 2.910 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H](CCO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903103046 621253857 /nfs/dbraw/zinc/25/38/57/621253857.db2.gz CZSBHIYWTJJRHK-XHDPSFHLSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903121339 621260795 /nfs/dbraw/zinc/26/07/95/621260795.db2.gz QXSDGYVWTLXBSE-GXSJLCMTSA-N 1 0 282.365 2.760 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc([N+](=O)[O-])c1 ZINC000903127703 621262235 /nfs/dbraw/zinc/26/22/35/621262235.db2.gz KFZDOQACRHNYGG-MPKXVKKWSA-N 1 0 294.351 2.558 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC000903132312 621263630 /nfs/dbraw/zinc/26/36/30/621263630.db2.gz XYRJZULJCBNDNH-OAHLLOKOSA-N 1 0 290.363 2.829 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCOC(C)C)cc([N+](=O)[O-])c1 ZINC000903151206 621273322 /nfs/dbraw/zinc/27/33/22/621273322.db2.gz DKOOCWPEBUXLGB-LLVKDONJSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000903177372 621275597 /nfs/dbraw/zinc/27/55/97/621275597.db2.gz LXZWSPBEIFJANI-MEBBXXQBSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000903244784 621295594 /nfs/dbraw/zinc/29/55/94/621295594.db2.gz DIZREGCQZDPPOJ-NWDGAFQWSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245715 621296365 /nfs/dbraw/zinc/29/63/65/621296365.db2.gz OMQNFAITOANQGX-FZMZJTMJSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903258657 621301763 /nfs/dbraw/zinc/30/17/63/621301763.db2.gz FLLHNPYDEKUNJV-GFCCVEGCSA-N 1 0 290.363 2.941 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903259957 621302413 /nfs/dbraw/zinc/30/24/13/621302413.db2.gz JEQJXNBOLYDNBG-BCQZVRRWSA-N 1 0 294.326 2.952 20 5 CFBDRO C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000903299798 621314207 /nfs/dbraw/zinc/31/42/07/621314207.db2.gz DZEBFXWXBIXVPU-XFBWCDHKSA-N 1 0 289.379 2.654 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000903286925 621318371 /nfs/dbraw/zinc/31/83/71/621318371.db2.gz JLPHEUNDTGFMFZ-OSMZGAPFSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@H]1C ZINC000903395247 621353327 /nfs/dbraw/zinc/35/33/27/621353327.db2.gz KIEXOKCJIKEXQR-BZPMIXESSA-N 1 0 278.352 2.540 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000903396046 621353824 /nfs/dbraw/zinc/35/38/24/621353824.db2.gz PDGGIRLYKJTWLM-GVXVVHGQSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903435955 621374204 /nfs/dbraw/zinc/37/42/04/621374204.db2.gz GFXDDWUCZCNEMB-LKTVYLICSA-N 1 0 276.336 2.670 20 5 CFBDRO Cc1c(CN2CCC[C@@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903796687 621443877 /nfs/dbraw/zinc/44/38/77/621443877.db2.gz BMGOIGMNEXHGDJ-ZBFHGGJFSA-N 1 0 289.379 2.607 20 5 CFBDRO Cc1ccc(CN2CCC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903799142 621444257 /nfs/dbraw/zinc/44/42/57/621444257.db2.gz BOYVCTBFDJZNGS-GOEBONIOSA-N 1 0 289.379 2.607 20 5 CFBDRO CC(C)C[C@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988857 621499933 /nfs/dbraw/zinc/49/99/33/621499933.db2.gz ZABBLVJUZZZYHR-YPMHNXCESA-N 1 0 265.357 2.619 20 5 CFBDRO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000904186962 621538944 /nfs/dbraw/zinc/53/89/44/621538944.db2.gz DQRJGLPSPQOBSA-AWEZNQCLSA-N 1 0 291.351 2.715 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000904464412 621597683 /nfs/dbraw/zinc/59/76/83/621597683.db2.gz WKMANTOEDAGWAR-OAHLLOKOSA-N 1 0 291.395 2.806 20 5 CFBDRO Cc1cc2c(cc1-c1ccc([N+](=O)[O-])nc1)C[NH2+]CC2 ZINC000904798913 621650034 /nfs/dbraw/zinc/65/00/34/621650034.db2.gz JREYYVYAEPZZON-UHFFFAOYSA-N 1 0 269.304 2.611 20 5 CFBDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905063892 621696047 /nfs/dbraw/zinc/69/60/47/621696047.db2.gz FMFLZWXUVGOZGT-GFCCVEGCSA-N 1 0 250.342 2.609 20 5 CFBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000905160055 621706042 /nfs/dbraw/zinc/70/60/42/621706042.db2.gz NRBGHBJXOUUJLK-UHFFFAOYSA-N 1 0 270.760 2.775 20 5 CFBDRO CCC(CC)(C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905134126 621707711 /nfs/dbraw/zinc/70/77/11/621707711.db2.gz JXPJDVKFXCNXKG-UHFFFAOYSA-N 1 0 250.342 2.611 20 5 CFBDRO COc1ccc(-c2csc(C[NH2+]CC[N+](=O)[O-])c2)cc1 ZINC000905148915 621710970 /nfs/dbraw/zinc/71/09/70/621710970.db2.gz XGRDOJWZLDFJIR-UHFFFAOYSA-N 1 0 292.360 2.790 20 5 CFBDRO CC(C)c1ccc(C[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905192639 621714306 /nfs/dbraw/zinc/71/43/06/621714306.db2.gz WMBYFMQOOAWCHZ-LBPRGKRZSA-N 1 0 250.342 2.607 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000905257362 621728972 /nfs/dbraw/zinc/72/89/72/621728972.db2.gz UMVQBKQXTWRDFA-CQSZACIVSA-N 1 0 298.770 2.674 20 5 CFBDRO CC(C)C[C@@H](CNCC[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000905294869 621733693 /nfs/dbraw/zinc/73/36/93/621733693.db2.gz LXEHFUQBLGKLNJ-ZBFHGGJFSA-N 1 0 293.411 2.618 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905474280 621773398 /nfs/dbraw/zinc/77/33/98/621773398.db2.gz PGLGKKCWXQZJMT-WXMODFLSSA-N 1 0 290.363 2.510 20 5 CFBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000905641667 621816607 /nfs/dbraw/zinc/81/66/07/621816607.db2.gz UQXPJCJSTAPECB-CQSZACIVSA-N 1 0 278.352 2.654 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1OCC[C@@H]1CCCC[N@@H+]1C ZINC000906498806 621993244 /nfs/dbraw/zinc/99/32/44/621993244.db2.gz FDGIXYIEXDYQSA-LBPRGKRZSA-N 1 0 294.351 2.857 20 5 CFBDRO CC(C)C[C@](C)(C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911906866 622580159 /nfs/dbraw/zinc/58/01/59/622580159.db2.gz LJSVNYUWZKOBAT-CQSZACIVSA-N 1 0 279.340 2.544 20 5 CFBDRO Cc1c(NC(=O)C[C@H]([NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000911956062 622595768 /nfs/dbraw/zinc/59/57/68/622595768.db2.gz JOAHICGCOCHZCL-LLVKDONJSA-N 1 0 279.340 2.605 20 5 CFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000820596119 622711739 /nfs/dbraw/zinc/71/17/39/622711739.db2.gz PMJHLTDJOCECQL-SKDRFNHKSA-N 1 0 283.759 2.777 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000055084626 622933149 /nfs/dbraw/zinc/93/31/49/622933149.db2.gz BFSUHFHDONUNLX-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CC1CC1 ZINC000164829707 622968794 /nfs/dbraw/zinc/96/87/94/622968794.db2.gz POJCUOYDQJXKAE-UHFFFAOYSA-N 1 0 285.141 2.857 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000822654901 623143160 /nfs/dbraw/zinc/14/31/60/623143160.db2.gz SZTQNRUSLMDCMX-RYUDHWBXSA-N 1 0 288.307 2.500 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000230696511 623292708 /nfs/dbraw/zinc/29/27/08/623292708.db2.gz FXOKYCZXBSSQSY-NEPJUHHUSA-N 1 0 296.392 2.977 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526614 623810403 /nfs/dbraw/zinc/81/04/03/623810403.db2.gz PCXHDKXJZLNVRG-NSHDSACASA-N 1 0 286.759 2.745 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914432821 623847217 /nfs/dbraw/zinc/84/72/17/623847217.db2.gz FLOMZUDUMMDCCE-QWZUFBECSA-N 1 0 288.347 2.623 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(C)CO ZINC000827698725 624069400 /nfs/dbraw/zinc/06/94/00/624069400.db2.gz BNCCJTOSGRBCDT-HZMBPMFUSA-N 1 0 298.770 2.699 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000174959232 624919115 /nfs/dbraw/zinc/91/91/15/624919115.db2.gz NUKRYMJFYIYMQJ-WDEREUQCSA-N 1 0 274.324 2.632 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000233777923 624955525 /nfs/dbraw/zinc/95/55/25/624955525.db2.gz SCRWSJUNKPHRMH-ZDUSSCGKSA-N 1 0 284.331 2.885 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074757 625263346 /nfs/dbraw/zinc/26/33/46/625263346.db2.gz SRKHWNXMFKJVRW-MNOVXSKESA-N 1 0 297.786 2.807 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000834905963 625918581 /nfs/dbraw/zinc/91/85/81/625918581.db2.gz XBRZRXTZDAUMPO-FCHSOHFDSA-N 1 0 293.367 2.641 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921548011 625984360 /nfs/dbraw/zinc/98/43/60/625984360.db2.gz VTBDCKJOAHUQAK-BPLDGKMQSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCO1 ZINC000084439820 626015696 /nfs/dbraw/zinc/01/56/96/626015696.db2.gz RFMVLUUMHVLDBL-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO C[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1[N+](=O)[O-] ZINC000851714895 634484250 /nfs/dbraw/zinc/48/42/50/634484250.db2.gz JMVZISDOKGJDDB-CYBMUJFWSA-N 1 0 294.351 2.568 20 5 CFBDRO COc1ccc(C[NH2+]C[C@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000922820375 626373672 /nfs/dbraw/zinc/37/36/72/626373672.db2.gz OYSSZOHRWHMZAF-HNNXBMFYSA-N 1 0 294.351 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC3(C2)CCCCC3)cc1 ZINC000759063633 626626355 /nfs/dbraw/zinc/62/63/55/626626355.db2.gz VQHATJBRGLCUEG-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO CN(C)c1cc(CN2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000759848868 626696284 /nfs/dbraw/zinc/69/62/84/626696284.db2.gz KNBDRXGIINFJIA-UHFFFAOYSA-N 1 0 298.346 2.619 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919953 626702061 /nfs/dbraw/zinc/70/20/61/626702061.db2.gz AMHNYWISOYXDPC-DOMZBBRYSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(C)OCCO1 ZINC000760892034 626782593 /nfs/dbraw/zinc/78/25/93/626782593.db2.gz RAAKQAJPFSXTNS-GFCCVEGCSA-N 1 0 294.351 2.707 20 5 CFBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521091 626842071 /nfs/dbraw/zinc/84/20/71/626842071.db2.gz JGNJINMNHRNDGA-WCBMZHEXSA-N 1 0 254.717 2.994 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764845106 627101196 /nfs/dbraw/zinc/10/11/96/627101196.db2.gz OHCOXHZETDZJJF-NSHDSACASA-N 1 0 288.351 2.942 20 5 CFBDRO Cc1nn(C[NH+]2CCC(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764855521 627102040 /nfs/dbraw/zinc/10/20/40/627102040.db2.gz FGDBBTYCLOGXPB-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO CCOC(CN(CC)Cc1ccccc1[N+](=O)[O-])OCC ZINC000767756432 627282074 /nfs/dbraw/zinc/28/20/74/627282074.db2.gz FJNGCDDKOCRWER-UHFFFAOYSA-N 1 0 296.367 2.816 20 5 CFBDRO Cc1ccc(CN2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000769234134 627414319 /nfs/dbraw/zinc/41/43/19/627414319.db2.gz YEWKQUFARZJREY-HNNXBMFYSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OCC[NH+]1CCCCC1 ZINC000770359890 627515801 /nfs/dbraw/zinc/51/58/01/627515801.db2.gz MDLLUMNPGPQSMW-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000773017670 627769930 /nfs/dbraw/zinc/76/99/30/627769930.db2.gz SURISQCTQFSXAO-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774158252 627895659 /nfs/dbraw/zinc/89/56/59/627895659.db2.gz MWEZTNVUWFVLON-HOCLYGCPSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774904464 627978458 /nfs/dbraw/zinc/97/84/58/627978458.db2.gz SWWCZEYQPKQGPN-VHSXEESVSA-N 1 0 279.296 2.733 20 5 CFBDRO C[C@@H]1CCCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775732784 628060206 /nfs/dbraw/zinc/06/02/06/628060206.db2.gz VTLSONXUTJYOLP-IUODEOHRSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580595 628160542 /nfs/dbraw/zinc/16/05/42/628160542.db2.gz WVXBYBAHNOWVII-DOMZBBRYSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000776587632 628162295 /nfs/dbraw/zinc/16/22/95/628162295.db2.gz XMYMJBZZGUFMJV-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776591258 628162554 /nfs/dbraw/zinc/16/25/54/628162554.db2.gz IKQBBZKGMVVVOZ-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+](CC2CC2)CC2CC2)cc1 ZINC000776591797 628163232 /nfs/dbraw/zinc/16/32/32/628163232.db2.gz HQCBINJXLAJTMV-MRXNPFEDSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000776593037 628163240 /nfs/dbraw/zinc/16/32/40/628163240.db2.gz UISNJXWOHDMMTP-IJEWVQPXSA-N 1 0 290.363 2.750 20 5 CFBDRO CC[C@@H](C)C[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592558 628163368 /nfs/dbraw/zinc/16/33/68/628163368.db2.gz PWIQCIYJFWBKMB-DOMZBBRYSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957999 628267219 /nfs/dbraw/zinc/26/72/19/628267219.db2.gz WZUHNCOORXGQEN-GFCCVEGCSA-N 1 0 286.335 2.900 20 5 CFBDRO CC(C)(C(=O)OCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000805615042 628332789 /nfs/dbraw/zinc/33/27/89/628332789.db2.gz WXZYBDAPPNZMBZ-UHFFFAOYSA-N 1 0 292.335 2.512 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000780569728 628478363 /nfs/dbraw/zinc/47/83/63/628478363.db2.gz HBDWTFNLOSYNJJ-AWEZNQCLSA-N 1 0 292.335 2.776 20 5 CFBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000783639072 628729823 /nfs/dbraw/zinc/72/98/23/628729823.db2.gz YBKPUXZSFIOHQA-PWSUYJOCSA-N 1 0 297.786 2.821 20 5 CFBDRO C[C@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652444 628730907 /nfs/dbraw/zinc/73/09/07/628730907.db2.gz MKVDKPJOMSBKDF-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1Cl ZINC000783679009 628734083 /nfs/dbraw/zinc/73/40/83/628734083.db2.gz FQTRTNBDKWHQNV-LLVKDONJSA-N 1 0 284.743 2.595 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccco2)c(Cl)c1 ZINC000784496470 628822006 /nfs/dbraw/zinc/82/20/06/628822006.db2.gz VKQREIABOFOZQS-GFCCVEGCSA-N 1 0 296.710 2.664 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513651 628823227 /nfs/dbraw/zinc/82/32/27/628823227.db2.gz DRNKUFHCVCROFT-DZGCQCFKSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000785776053 628912832 /nfs/dbraw/zinc/91/28/32/628912832.db2.gz MLSXMCOZHVLISC-SECBINFHSA-N 1 0 271.748 2.919 20 5 CFBDRO CCOCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788549469 629081497 /nfs/dbraw/zinc/08/14/97/629081497.db2.gz WWCGQKJWMGPJKM-LLVKDONJSA-N 1 0 281.356 2.644 20 5 CFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000790552124 629247134 /nfs/dbraw/zinc/24/71/34/629247134.db2.gz UMARLWYJPSUESK-QJPTWQEYSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792871916 629460739 /nfs/dbraw/zinc/46/07/39/629460739.db2.gz NUTWWYDFFSYHOG-NXEZZACHSA-N 1 0 279.296 2.876 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424978 634742939 /nfs/dbraw/zinc/74/29/39/634742939.db2.gz HTJFIXHWLQHMGN-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000793558315 629571472 /nfs/dbraw/zinc/57/14/72/629571472.db2.gz ROIFMWFQMGDYCU-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CCO ZINC000852461034 634749786 /nfs/dbraw/zinc/74/97/86/634749786.db2.gz FMZRVAJPEMXSTR-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801526333 630453179 /nfs/dbraw/zinc/45/31/79/630453179.db2.gz LAUCMWURRVVYGK-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804379115 630677842 /nfs/dbraw/zinc/67/78/42/630677842.db2.gz IJGMTHXRQKAVQY-SNVBAGLBSA-N 1 0 296.327 2.645 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000808421533 630989465 /nfs/dbraw/zinc/98/94/65/630989465.db2.gz LPIYDQJCMZSSRP-AWEZNQCLSA-N 1 0 292.335 2.644 20 5 CFBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000837336040 631003946 /nfs/dbraw/zinc/00/39/46/631003946.db2.gz YSFJBGFRKGRZCG-NSHDSACASA-N 1 0 296.323 2.608 20 5 CFBDRO CCC(CC)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735188 631273946 /nfs/dbraw/zinc/27/39/46/631273946.db2.gz UPQVOUOKFLOZOU-UHFFFAOYSA-N 1 0 265.357 2.796 20 5 CFBDRO Cc1ccsc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734681 631274046 /nfs/dbraw/zinc/27/40/46/631274046.db2.gz JRSKBXCCDVTRST-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841056095 631324096 /nfs/dbraw/zinc/32/40/96/631324096.db2.gz XQMWLBMGOBTIBU-QWRGUYRKSA-N 1 0 283.759 2.608 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000841090207 631336960 /nfs/dbraw/zinc/33/69/60/631336960.db2.gz GWENGWWDVQBEMH-QMTHXVAHSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000841101713 631340415 /nfs/dbraw/zinc/34/04/15/631340415.db2.gz ZKKSNCWHUMHMNV-PWSUYJOCSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000841693680 631453891 /nfs/dbraw/zinc/45/38/91/631453891.db2.gz VGNIJACHAVJQHN-GRYCIOLGSA-N 1 0 288.351 2.878 20 5 CFBDRO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471742 631567729 /nfs/dbraw/zinc/56/77/29/631567729.db2.gz JBWCAIQLUBLAFG-UHFFFAOYSA-N 1 0 279.123 2.638 20 5 CFBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635443 631688315 /nfs/dbraw/zinc/68/83/15/631688315.db2.gz NKVMCZNCSOBLIL-STQMWFEESA-N 1 0 292.383 2.897 20 5 CFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843044221 631811999 /nfs/dbraw/zinc/81/19/99/631811999.db2.gz ALUNQDXJXMSSHJ-QMTHXVAHSA-N 1 0 297.786 2.950 20 5 CFBDRO C[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843049703 631814589 /nfs/dbraw/zinc/81/45/89/631814589.db2.gz SDJANXIORNANSG-UHFFFAOYSA-N 1 0 297.786 2.680 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1(C[NH3+])CCC1 ZINC000843125252 631842597 /nfs/dbraw/zinc/84/25/97/631842597.db2.gz PHAUFSWPDTUKKU-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO Cc1c(-c2noc(CCC(C)(C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843237914 631910780 /nfs/dbraw/zinc/91/07/80/631910780.db2.gz IBMPFYJVTGFNKS-UHFFFAOYSA-N 1 0 290.323 2.623 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844376023 632185280 /nfs/dbraw/zinc/18/52/80/632185280.db2.gz BPQFEIJYJPDNLT-GWCFXTLKSA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000815568950 632289923 /nfs/dbraw/zinc/28/99/23/632289923.db2.gz ZXZSFBYUMHFMDM-UWVGGRQHSA-N 1 0 263.341 2.874 20 5 CFBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588206 632293425 /nfs/dbraw/zinc/29/34/25/632293425.db2.gz GWGOZPXYRIYCCV-UTUOFQBUSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618325 632298635 /nfs/dbraw/zinc/29/86/35/632298635.db2.gz JIPVRBOQBURVBE-JQWIXIFHSA-N 1 0 277.324 2.520 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000105908901 632434663 /nfs/dbraw/zinc/43/46/63/632434663.db2.gz BTVUYAHWMMYHCM-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO Cc1cccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000845671651 632513258 /nfs/dbraw/zinc/51/32/58/632513258.db2.gz LIYGPRDKECNETP-LBPRGKRZSA-N 1 0 292.335 2.544 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1F ZINC000817292373 632596438 /nfs/dbraw/zinc/59/64/38/632596438.db2.gz SWLYOJDHMBWEER-GFCCVEGCSA-N 1 0 294.326 2.613 20 5 CFBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000817291041 632596595 /nfs/dbraw/zinc/59/65/95/632596595.db2.gz MEPRXOKNTPQFSY-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO CC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906683 632728524 /nfs/dbraw/zinc/72/85/24/632728524.db2.gz BFONCSGERRVPBE-KBPBESRZSA-N 1 0 297.786 2.868 20 5 CFBDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907489 632729148 /nfs/dbraw/zinc/72/91/48/632729148.db2.gz PORKWSJFAUXDGC-KGLIPLIRSA-N 1 0 297.786 2.998 20 5 CFBDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819123748 632975144 /nfs/dbraw/zinc/97/51/44/632975144.db2.gz BKDSLODPFBKCPD-SMDDNHRTSA-N 1 0 298.408 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC23CCC(CC2)C3)cc1 ZINC000819188406 633008205 /nfs/dbraw/zinc/00/82/05/633008205.db2.gz GNPLJCRIRHVOQU-DSSZZKGTSA-N 1 0 290.363 2.798 20 5 CFBDRO CSCCCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819242884 633034498 /nfs/dbraw/zinc/03/44/98/633034498.db2.gz QBRMEACSXSICLO-AWEZNQCLSA-N 1 0 298.408 2.751 20 5 CFBDRO CC1(C)CC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819253429 633040708 /nfs/dbraw/zinc/04/07/08/633040708.db2.gz ONKPLRMEEYWWIH-CQSZACIVSA-N 1 0 278.352 2.654 20 5 CFBDRO CC1(C)C(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000819279864 633051198 /nfs/dbraw/zinc/05/11/98/633051198.db2.gz SQADJJHYXHHXNA-ZDUSSCGKSA-N 1 0 292.379 2.900 20 5 CFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819282989 633053925 /nfs/dbraw/zinc/05/39/25/633053925.db2.gz BTSMZNWLBDZNDL-UXIGCNINSA-N 1 0 278.352 2.654 20 5 CFBDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819363583 633112305 /nfs/dbraw/zinc/11/23/05/633112305.db2.gz JOQXNFNMLROTQU-KKUMJFAQSA-N 1 0 278.352 2.652 20 5 CFBDRO CCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476591 633263887 /nfs/dbraw/zinc/26/38/87/633263887.db2.gz BXDKXINEQXSHBI-UHFFFAOYSA-N 1 0 274.324 2.758 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1cccnc1 ZINC000848531761 633278990 /nfs/dbraw/zinc/27/89/90/633278990.db2.gz VXYTZNXBHRGJKZ-HNNXBMFYSA-N 1 0 299.330 2.646 20 5 CFBDRO CCc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000848532119 633279921 /nfs/dbraw/zinc/27/99/21/633279921.db2.gz ZMTNIBSYFAOSLW-CQSZACIVSA-N 1 0 286.335 2.657 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC=CO1 ZINC000848548035 633286089 /nfs/dbraw/zinc/28/60/89/633286089.db2.gz TYWLZDKLNOQPQV-SMDDNHRTSA-N 1 0 274.320 2.864 20 5 CFBDRO C[C@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000848554028 633287707 /nfs/dbraw/zinc/28/77/07/633287707.db2.gz UGBUIWHPMGZALS-VIFPVBQESA-N 1 0 294.742 2.833 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848786268 633343522 /nfs/dbraw/zinc/34/35/22/633343522.db2.gz PXERXYGCOAVPAG-TZMCWYRMSA-N 1 0 290.367 2.606 20 5 CFBDRO Nc1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000848786451 633343539 /nfs/dbraw/zinc/34/35/39/633343539.db2.gz QRVBHKOOHXEAEN-GXTWGEPZSA-N 1 0 290.367 2.606 20 5 CFBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000849001518 633455269 /nfs/dbraw/zinc/45/52/69/633455269.db2.gz ROOHUEBSUZXFOK-UHFFFAOYSA-N 1 0 290.367 2.538 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367513 633956982 /nfs/dbraw/zinc/95/69/82/633956982.db2.gz LRKRQERTZGTQHK-ZRFDWSJLSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368254 633958624 /nfs/dbraw/zinc/95/86/24/633958624.db2.gz APBLGGXPGCCUIB-HOTGVXAUSA-N 1 0 284.315 2.863 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1Cl ZINC000850387800 633971336 /nfs/dbraw/zinc/97/13/36/633971336.db2.gz ACEXCGTUMWKALA-OLZOCXBDSA-N 1 0 296.754 2.641 20 5 CFBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000853117208 634911053 /nfs/dbraw/zinc/91/10/53/634911053.db2.gz QZNAKOCFAFKKTI-HUUCEWRRSA-N 1 0 278.352 2.652 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000853868223 635140351 /nfs/dbraw/zinc/14/03/51/635140351.db2.gz YQFRSZCMSIXNEY-LBPRGKRZSA-N 1 0 292.383 2.709 20 5 CFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000857086125 635927779 /nfs/dbraw/zinc/92/77/79/635927779.db2.gz JAXPKHDYYZKALI-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000857086128 635927909 /nfs/dbraw/zinc/92/79/09/635927909.db2.gz JAXPKHDYYZKALI-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000047540489 650236919 /nfs/dbraw/zinc/23/69/19/650236919.db2.gz OOPZOVXMOHVSTM-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@@H](NCc1cc(Cl)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000859230922 636516721 /nfs/dbraw/zinc/51/67/21/636516721.db2.gz NXHIMORFTIDHFU-SECBINFHSA-N 1 0 294.742 2.833 20 5 CFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860053104 636770531 /nfs/dbraw/zinc/77/05/31/636770531.db2.gz PZKCJLNROOVNSP-SNVBAGLBSA-N 1 0 293.348 2.781 20 5 CFBDRO Cc1nn(C[NH+](C2CC2)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000863302526 637620760 /nfs/dbraw/zinc/62/07/60/637620760.db2.gz HELBAQZJOPXKGQ-UHFFFAOYSA-N 1 0 286.335 2.837 20 5 CFBDRO Cc1nc(CNCc2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC000865787133 638573956 /nfs/dbraw/zinc/57/39/56/638573956.db2.gz IOTLTLYXKAZBGI-UHFFFAOYSA-N 1 0 274.324 2.533 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000865871589 638629586 /nfs/dbraw/zinc/62/95/86/638629586.db2.gz DHZNBWMTHKQCCX-QJUZWUIZSA-N 1 0 278.352 2.747 20 5 CFBDRO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CCC1(C)C ZINC000866112435 638743370 /nfs/dbraw/zinc/74/33/70/638743370.db2.gz AGFAWBJDQJMKSM-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207952 638770742 /nfs/dbraw/zinc/77/07/42/638770742.db2.gz RYJRNHUYSPJNPO-JQWIXIFHSA-N 1 0 295.770 2.779 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866212836 638771862 /nfs/dbraw/zinc/77/18/62/638771862.db2.gz WQJKADZESYSQDQ-NSHDSACASA-N 1 0 284.331 2.681 20 5 CFBDRO CC(C)[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000866217094 638772576 /nfs/dbraw/zinc/77/25/76/638772576.db2.gz CBQWZQDNYIFKQA-CYBMUJFWSA-N 1 0 281.331 2.510 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000866250598 638779951 /nfs/dbraw/zinc/77/99/51/638779951.db2.gz FWJQCJCEENGKJA-VIFPVBQESA-N 1 0 295.339 2.911 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866252720 638780924 /nfs/dbraw/zinc/78/09/24/638780924.db2.gz OBMKVUVJCXDNKY-QWRGUYRKSA-N 1 0 284.331 2.680 20 5 CFBDRO CC(C)N(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866253156 638780973 /nfs/dbraw/zinc/78/09/73/638780973.db2.gz FOZDLUSCJKYUIU-GFCCVEGCSA-N 1 0 297.374 2.595 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265714 638784253 /nfs/dbraw/zinc/78/42/53/638784253.db2.gz QOGCBYWLOMXXTK-XHDPSFHLSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC=CO1 ZINC000866343808 638800222 /nfs/dbraw/zinc/80/02/22/638800222.db2.gz ODFZRKGFZWWOSS-RISCZKNCSA-N 1 0 294.326 2.947 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866370626 638807277 /nfs/dbraw/zinc/80/72/77/638807277.db2.gz YRBLNQSKKYEHFD-HONMWMINSA-N 1 0 296.342 2.822 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866398174 638814421 /nfs/dbraw/zinc/81/44/21/638814421.db2.gz MHAIOSAITHKKSH-COPLHBTASA-N 1 0 296.342 2.680 20 5 CFBDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540148 638838730 /nfs/dbraw/zinc/83/87/30/638838730.db2.gz JULPEIRLTAXDOU-JTQLQIEISA-N 1 0 274.324 2.786 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000866540202 638839018 /nfs/dbraw/zinc/83/90/18/638839018.db2.gz KYQCOUXLKAJOCJ-AWEZNQCLSA-N 1 0 288.351 2.878 20 5 CFBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000122169368 638949114 /nfs/dbraw/zinc/94/91/14/638949114.db2.gz IEQZNQJDUPWFIR-GFCCVEGCSA-N 1 0 266.345 2.649 20 5 CFBDRO CC[C@@H](C[NH+](C)C)OC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000870554071 639719119 /nfs/dbraw/zinc/71/91/19/639719119.db2.gz YMYKTCHRVKHNSP-FZMZJTMJSA-N 1 0 294.351 2.582 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030293 641560865 /nfs/dbraw/zinc/56/08/65/641560865.db2.gz CKCMAUMLQQYGMQ-NXEZZACHSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034478 641565943 /nfs/dbraw/zinc/56/59/43/641565943.db2.gz OTNVZXUDGJFEBL-WDEREUQCSA-N 1 0 293.342 2.621 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036135 641568678 /nfs/dbraw/zinc/56/86/78/641568678.db2.gz QJIOQXREDKEKHJ-CWSCBRNRSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040614 641574255 /nfs/dbraw/zinc/57/42/55/641574255.db2.gz ZISPHGRDWJTZKP-NWDGAFQWSA-N 1 0 295.358 2.869 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040738 641574297 /nfs/dbraw/zinc/57/42/97/641574297.db2.gz BTQWEKHFECJXSP-GHMZBOCLSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040620 641574695 /nfs/dbraw/zinc/57/46/95/641574695.db2.gz ZISPHGRDWJTZKP-VXGBXAGGSA-N 1 0 295.358 2.869 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043359 641577510 /nfs/dbraw/zinc/57/75/10/641577510.db2.gz XBRCCDXQHWIKGL-UTUOFQBUSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044952 641580242 /nfs/dbraw/zinc/58/02/42/641580242.db2.gz XBRCCDXQHWIKGL-SRVKXCTJSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052351 641586440 /nfs/dbraw/zinc/58/64/40/641586440.db2.gz CMIORZOMMYMIAZ-QWRGUYRKSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053501 641588323 /nfs/dbraw/zinc/58/83/23/641588323.db2.gz KQUFVMBVHKJLBV-MXWKQRLJSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062273 641593957 /nfs/dbraw/zinc/59/39/57/641593957.db2.gz FOBXXWAWVNOTSX-NSHDSACASA-N 1 0 296.342 2.937 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCO ZINC000872066773 641599125 /nfs/dbraw/zinc/59/91/25/641599125.db2.gz LTJULTBUUPDHHZ-JTQLQIEISA-N 1 0 284.381 2.740 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079580 641612547 /nfs/dbraw/zinc/61/25/47/641612547.db2.gz JDGDKBWNAOTABK-SDDRHHMPSA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872112427 641642961 /nfs/dbraw/zinc/64/29/61/641642961.db2.gz JCNZVXGQSCTZCP-NWDGAFQWSA-N 1 0 292.335 2.589 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCCS2)c1 ZINC000872223636 641708550 /nfs/dbraw/zinc/70/85/50/641708550.db2.gz MBKXMGXRAORLTD-ZIAGYGMSSA-N 1 0 296.392 2.504 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000872231268 641710370 /nfs/dbraw/zinc/71/03/70/641710370.db2.gz GIKGNRROQMPLGZ-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[C@@H]2C=CCC2)cc1 ZINC000872245648 641715358 /nfs/dbraw/zinc/71/53/58/641715358.db2.gz DVLPCVNQMRHXKO-CJNGLKHVSA-N 1 0 290.363 2.964 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000873126236 642019893 /nfs/dbraw/zinc/01/98/93/642019893.db2.gz PSGMMXZVAQTRSZ-JSGCOSHPSA-N 1 0 292.379 2.974 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCC(O)CC1 ZINC000873138156 642027906 /nfs/dbraw/zinc/02/79/06/642027906.db2.gz BRXZAFOZSFCJEV-UHFFFAOYSA-N 1 0 292.379 2.852 20 5 CFBDRO CCC[C@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873146860 642030670 /nfs/dbraw/zinc/03/06/70/642030670.db2.gz PZMUSZRNWAMDBM-CYBMUJFWSA-N 1 0 280.368 2.852 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229717 642081728 /nfs/dbraw/zinc/08/17/28/642081728.db2.gz FCRPHXPPKBTDKK-ZIAGYGMSSA-N 1 0 295.770 2.622 20 5 CFBDRO Cc1ccc(CN[C@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253484 642098937 /nfs/dbraw/zinc/09/89/37/642098937.db2.gz YKZDILLORVTQMI-KBPBESRZSA-N 1 0 277.368 2.653 20 5 CFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124565287 642251203 /nfs/dbraw/zinc/25/12/03/642251203.db2.gz FATHWDXQEJXDQD-SKDRFNHKSA-N 1 0 283.759 2.560 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000195527354 650756118 /nfs/dbraw/zinc/75/61/18/650756118.db2.gz FPHOXHSXUFLQCI-UHFFFAOYSA-N 1 0 299.758 2.917 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCSC(F)(F)F)cs1 ZINC000195422147 650752764 /nfs/dbraw/zinc/75/27/64/650752764.db2.gz WSRINTVXCFEJMN-UHFFFAOYSA-N 1 0 286.300 2.999 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCOC[C@H]1C ZINC000876752197 642994772 /nfs/dbraw/zinc/99/47/72/642994772.db2.gz JESCVGQYCHOQNV-GFCCVEGCSA-N 1 0 278.352 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H]1CCOC1 ZINC000876789116 643009488 /nfs/dbraw/zinc/00/94/88/643009488.db2.gz RHUQQHNMXYWEEC-CYBMUJFWSA-N 1 0 278.352 2.680 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCCCCC3)C2)c1 ZINC000876904778 643058863 /nfs/dbraw/zinc/05/88/63/643058863.db2.gz KNNIEEXQBHOPIV-UHFFFAOYSA-N 1 0 278.356 2.807 20 5 CFBDRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876972738 643088514 /nfs/dbraw/zinc/08/85/14/643088514.db2.gz ZAMPMTKLCZEBGL-MRFVTOPCSA-N 1 0 292.383 2.911 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000877031104 643111300 /nfs/dbraw/zinc/11/13/00/643111300.db2.gz MQBKCJFTOAVOFF-ZDUSSCGKSA-N 1 0 292.335 2.626 20 5 CFBDRO CC(C)C([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000877098085 643151461 /nfs/dbraw/zinc/15/14/61/643151461.db2.gz LHJJWDNBKQGSPI-UHFFFAOYSA-N 1 0 280.372 2.765 20 5 CFBDRO C[C@H]1CCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877500784 643312632 /nfs/dbraw/zinc/31/26/32/643312632.db2.gz JSKOBQYBNNBFHS-ZFDZMSFRSA-N 1 0 278.356 2.521 20 5 CFBDRO CC(C)(C)C1CC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877552462 643353348 /nfs/dbraw/zinc/35/33/48/643353348.db2.gz UKOHNVYWZOSTQJ-UHFFFAOYSA-N 1 0 292.383 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000877554645 643355621 /nfs/dbraw/zinc/35/56/21/643355621.db2.gz LAUDYLPYJARGRT-AWEZNQCLSA-N 1 0 292.379 2.806 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000877594312 643386710 /nfs/dbraw/zinc/38/67/10/643386710.db2.gz FBYXWGBDTXEKND-FZMZJTMJSA-N 1 0 292.379 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000877638581 643422779 /nfs/dbraw/zinc/42/27/79/643422779.db2.gz ZQOFYVHHTPYDRX-KBPBESRZSA-N 1 0 290.363 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000877638582 643424293 /nfs/dbraw/zinc/42/42/93/643424293.db2.gz ZQOFYVHHTPYDRX-KGLIPLIRSA-N 1 0 290.363 2.680 20 5 CFBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877683716 643452034 /nfs/dbraw/zinc/45/20/34/643452034.db2.gz ICHHEMRZWSDVRT-HUUCEWRRSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)O1 ZINC000877683210 643452247 /nfs/dbraw/zinc/45/22/47/643452247.db2.gz UIWCYIZYGBOAHW-VDDIYKPWSA-N 1 0 284.743 2.904 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cs1 ZINC000877736899 643497283 /nfs/dbraw/zinc/49/72/83/643497283.db2.gz BSOGBOLQDLJEAM-QWRGUYRKSA-N 1 0 284.406 2.841 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000126728147 643588111 /nfs/dbraw/zinc/58/81/11/643588111.db2.gz YTKDQZDRVIIBKW-SMDDNHRTSA-N 1 0 290.319 2.880 20 5 CFBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000878136428 643755577 /nfs/dbraw/zinc/75/55/77/643755577.db2.gz YRFBIMSDYAHONI-UHFFFAOYSA-N 1 0 288.307 2.629 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCC3CC3)C2)nc1 ZINC000878250863 643808327 /nfs/dbraw/zinc/80/83/27/643808327.db2.gz CQCGHRLWJVTQGL-ZDUSSCGKSA-N 1 0 290.367 2.666 20 5 CFBDRO CC[C@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000878362211 643859692 /nfs/dbraw/zinc/85/96/92/643859692.db2.gz PHKYLMVHJCLBKO-HNNXBMFYSA-N 1 0 288.351 2.743 20 5 CFBDRO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247052152 650896228 /nfs/dbraw/zinc/89/62/28/650896228.db2.gz UALZFVDYFRZRJA-QWRGUYRKSA-N 1 0 274.324 2.632 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879559928 644320958 /nfs/dbraw/zinc/32/09/58/644320958.db2.gz TZOUCSMFXQRVSZ-WDEREUQCSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879616662 644348369 /nfs/dbraw/zinc/34/83/69/644348369.db2.gz IDQNGAGWRAWAKN-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[N@@H+]1C ZINC000092628197 650923037 /nfs/dbraw/zinc/92/30/37/650923037.db2.gz WBOOYNPTMBFKHU-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC1(CC)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000880093678 644529670 /nfs/dbraw/zinc/52/96/70/644529670.db2.gz GHLFOINLWBVBAK-UHFFFAOYSA-N 1 0 280.372 2.754 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880139591 644548870 /nfs/dbraw/zinc/54/88/70/644548870.db2.gz ALMMKRWXJBNEGV-YPMHNXCESA-N 1 0 278.352 2.749 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000880185550 644567152 /nfs/dbraw/zinc/56/71/52/644567152.db2.gz SHFUBIVPEUNGGM-UHFFFAOYSA-N 1 0 282.315 2.735 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](CF)C1 ZINC000880232122 644591990 /nfs/dbraw/zinc/59/19/90/644591990.db2.gz HAKQOVSQMKIBMT-GFCCVEGCSA-N 1 0 282.315 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880504237 644740243 /nfs/dbraw/zinc/74/02/43/644740243.db2.gz UKSLSCKKBFLLEU-CABCVRRESA-N 1 0 276.336 2.786 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880506939 644740747 /nfs/dbraw/zinc/74/07/47/644740747.db2.gz FOSNEBVULXQCRY-CABCVRRESA-N 1 0 294.326 2.925 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC000880506264 644741107 /nfs/dbraw/zinc/74/11/07/644741107.db2.gz BMOIQFKCGWBSBK-CABCVRRESA-N 1 0 276.336 2.786 20 5 CFBDRO CC(=O)c1c(NC[C@H](C2CC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881925619 645156379 /nfs/dbraw/zinc/15/63/79/645156379.db2.gz YNWYKDNUDDZEBC-CQSZACIVSA-N 1 0 291.351 2.550 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000882961938 645531573 /nfs/dbraw/zinc/53/15/73/645531573.db2.gz BOCRREJRUVWOFI-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000882965524 645532523 /nfs/dbraw/zinc/53/25/23/645532523.db2.gz HAJMICQDQFHKTJ-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(C)([NH+]2CCC2)CC1 ZINC000882964111 645533158 /nfs/dbraw/zinc/53/31/58/645533158.db2.gz SXSBUUUTAOKLKT-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CCC[C@H]([NH2+]CC[S@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130891185 645589776 /nfs/dbraw/zinc/58/97/76/645589776.db2.gz CQJSVOSIPRJYTE-XOBRGWDASA-N 1 0 298.408 2.794 20 5 CFBDRO C=C/C=C\CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883260618 645705585 /nfs/dbraw/zinc/70/55/85/645705585.db2.gz AGPZQPBRVGYHQA-ARJAWSKDSA-N 1 0 290.319 2.588 20 5 CFBDRO C=C/C=C\CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000883261202 645705802 /nfs/dbraw/zinc/70/58/02/645705802.db2.gz UJUKNXIJLIWRIG-PLNGDYQASA-N 1 0 278.308 2.531 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273278 645715495 /nfs/dbraw/zinc/71/54/95/645715495.db2.gz IBYWSOXCRHJLCF-GVXVVHGQSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253178028 651039037 /nfs/dbraw/zinc/03/90/37/651039037.db2.gz BMCURWMCDQVAAY-CMPLNLGQSA-N 1 0 297.786 2.665 20 5 CFBDRO CCN1CC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000883354646 645758798 /nfs/dbraw/zinc/75/87/98/645758798.db2.gz ADQRNZDPZQMHTO-HOCLYGCPSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000883446952 645835729 /nfs/dbraw/zinc/83/57/29/645835729.db2.gz PJEVDODSWZMZNV-GYSYKLTISA-N 1 0 295.358 2.682 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000800138393 646152187 /nfs/dbraw/zinc/15/21/87/646152187.db2.gz POWHHQGUMOJADF-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C2CC2)O1 ZINC000885937619 646774586 /nfs/dbraw/zinc/77/45/86/646774586.db2.gz FNANBYAPHHVKNX-GDBMZVCRSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1coc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000885977990 646792705 /nfs/dbraw/zinc/79/27/05/646792705.db2.gz QCOOKTWGVWOOPH-UHFFFAOYSA-N 1 0 276.292 2.665 20 5 CFBDRO CC(C)C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028388 646828580 /nfs/dbraw/zinc/82/85/80/646828580.db2.gz PURYLJFSCZFVFW-GFCCVEGCSA-N 1 0 263.341 2.858 20 5 CFBDRO CC(C)C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886028389 646829000 /nfs/dbraw/zinc/82/90/00/646829000.db2.gz PURYLJFSCZFVFW-LBPRGKRZSA-N 1 0 263.341 2.858 20 5 CFBDRO CCC1(CC)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C[C@@H]1OC ZINC000886171589 646906698 /nfs/dbraw/zinc/90/66/98/646906698.db2.gz JZBYHUVXGQFGQH-OLZOCXBDSA-N 1 0 293.367 2.673 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000886221245 646927962 /nfs/dbraw/zinc/92/79/62/646927962.db2.gz WDCWTNHCDZQMBO-NJZAAPMLSA-N 1 0 276.336 2.672 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000886237025 646933428 /nfs/dbraw/zinc/93/34/28/646933428.db2.gz TZIIQGBVCLJCKR-AWEZNQCLSA-N 1 0 293.392 2.709 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000886263945 646938833 /nfs/dbraw/zinc/93/88/33/646938833.db2.gz KXWJJTOAGHTCAF-CQSZACIVSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000886264078 646939680 /nfs/dbraw/zinc/93/96/80/646939680.db2.gz OSUGOZBHIXNRCL-AAEUAGOBSA-N 1 0 261.325 2.754 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000886317834 646966833 /nfs/dbraw/zinc/96/68/33/646966833.db2.gz BVCIILHOHNQEOU-UHFFFAOYSA-N 1 0 291.351 2.525 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886674833 647104901 /nfs/dbraw/zinc/10/49/01/647104901.db2.gz SEAOIAACJGBJPI-AWEZNQCLSA-N 1 0 298.346 2.764 20 5 CFBDRO CC1(C)[C@@H]([NH3+])c2ccccc2N1Cc1cccnc1[N+](=O)[O-] ZINC000886841603 647160137 /nfs/dbraw/zinc/16/01/37/647160137.db2.gz QNHUHZZIXRDDPH-AWEZNQCLSA-N 1 0 298.346 2.788 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(Cl)CC1 ZINC000925640526 648257361 /nfs/dbraw/zinc/25/73/61/648257361.db2.gz ITDWQXFBKNHXHS-SNVBAGLBSA-N 1 0 268.744 2.887 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113406 648407699 /nfs/dbraw/zinc/40/76/99/648407699.db2.gz POHORIIHUWUNTH-ZWNOBZJWSA-N 1 0 298.770 2.805 20 5 CFBDRO Cc1c(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000926269285 648452190 /nfs/dbraw/zinc/45/21/90/648452190.db2.gz LQLIMBNOVHTGHZ-OLQXHTCTSA-N 1 0 290.363 2.950 20 5 CFBDRO C[N@H+](CCc1ccns1)Cc1ccccc1[N+](=O)[O-] ZINC000929163726 648993217 /nfs/dbraw/zinc/99/32/17/648993217.db2.gz ARPYVXFTXUTWTE-UHFFFAOYSA-N 1 0 277.349 2.726 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1ccns1)C2 ZINC000930100043 649184085 /nfs/dbraw/zinc/18/40/85/649184085.db2.gz PWJVNTJOUGWZPG-UHFFFAOYSA-N 1 0 289.360 2.652 20 5 CFBDRO CCCC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(OC)cc1 ZINC000930213770 649207829 /nfs/dbraw/zinc/20/78/29/649207829.db2.gz JMVQSLJXLPGMKH-AWEZNQCLSA-N 1 0 266.341 2.793 20 5 CFBDRO COC/C(C)=C\C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354628 649236239 /nfs/dbraw/zinc/23/62/39/649236239.db2.gz RBMRHEULPKDGNC-QPEQYQDCSA-N 1 0 278.352 2.662 20 5 CFBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000930496521 649261242 /nfs/dbraw/zinc/26/12/42/649261242.db2.gz QIBQICYGYDMCRK-JTQLQIEISA-N 1 0 262.284 2.906 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000035648935 649265727 /nfs/dbraw/zinc/26/57/27/649265727.db2.gz XHGIOABACVAGNX-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000931335876 649411324 /nfs/dbraw/zinc/41/13/24/649411324.db2.gz ZFQQHUIZOKJGHY-UHFFFAOYSA-N 1 0 258.321 2.941 20 5 CFBDRO C[NH+](C)C1(C)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000931349450 649413009 /nfs/dbraw/zinc/41/30/09/649413009.db2.gz ZBYRPHLRSMEMBI-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1CC[N+](=O)[O-] ZINC000931688483 649472434 /nfs/dbraw/zinc/47/24/34/649472434.db2.gz IAHWPVBALRMGBP-NSHDSACASA-N 1 0 284.306 2.809 20 5 CFBDRO CC(C)OC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932176836 649559281 /nfs/dbraw/zinc/55/92/81/649559281.db2.gz NNUFMADDSOTTMH-LLVKDONJSA-N 1 0 280.324 2.587 20 5 CFBDRO Cc1c(C[N@@H+]2CCO[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000932350994 649582273 /nfs/dbraw/zinc/58/22/73/649582273.db2.gz PHMZHYPXPHSGPW-NSHDSACASA-N 1 0 264.325 2.514 20 5 CFBDRO COC(=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000934027945 649742072 /nfs/dbraw/zinc/74/20/72/649742072.db2.gz WFQXVFKRXCGJGX-CYBMUJFWSA-N 1 0 294.351 2.662 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@H]2CC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000934109523 649750433 /nfs/dbraw/zinc/75/04/33/649750433.db2.gz AOLAUQDVVWCXSR-GXTWGEPZSA-N 1 0 294.351 2.603 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001167406967 770433465 /nfs/dbraw/zinc/43/34/65/770433465.db2.gz YUZYDGOAZPWAMA-ZDUSSCGKSA-N 1 0 294.399 2.977 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1N[C@](C)(C(N)=O)C(C)C ZINC001167414842 770441883 /nfs/dbraw/zinc/44/18/83/770441883.db2.gz AEJCIXZWGNLGMM-KRWDZBQOSA-O 1 0 292.447 2.595 20 5 CFBDRO CN(C)c1cc(Nc2ccc(F)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001211191132 770448511 /nfs/dbraw/zinc/44/85/11/770448511.db2.gz RQFLTINPOLIXHJ-UHFFFAOYSA-N 1 0 276.271 2.939 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cs1 ZINC000723996942 770738589 /nfs/dbraw/zinc/73/85/89/770738589.db2.gz QQBKVWBBEYPPCF-OCCSQVGLSA-N 1 0 296.392 2.951 20 5 CFBDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2CCC3)cc1[N+](=O)[O-] ZINC000693543147 770807623 /nfs/dbraw/zinc/80/76/23/770807623.db2.gz CWZBGCBDRLGCJN-DOMZBBRYSA-N 1 0 276.336 2.883 20 5 CFBDRO COC[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001167646756 773210841 /nfs/dbraw/zinc/21/08/41/773210841.db2.gz GNQCVMOGHBBJIK-HNNXBMFYSA-N 1 0 292.379 2.872 20 5 CFBDRO C[N@@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224204581 775128557 /nfs/dbraw/zinc/12/85/57/775128557.db2.gz SIAOGNYJTFZPEU-CYBMUJFWSA-N 1 0 286.331 2.969 20 5 CFBDRO COc1ccc(CO[C@@H](C)C[N+](C)(C)C)c(C)c1C ZINC001224216830 775130268 /nfs/dbraw/zinc/13/02/68/775130268.db2.gz SKGQRSOGMXWUFF-LBPRGKRZSA-N 1 0 266.405 2.923 20 5 CFBDRO COc1ccc(CO[C@H](C)C[N+](C)(C)C)c(C)c1C ZINC001224216825 775130669 /nfs/dbraw/zinc/13/06/69/775130669.db2.gz SKGQRSOGMXWUFF-GFCCVEGCSA-N 1 0 266.405 2.923 20 5 CFBDRO COc1ccccc1[C@@H](C)OCCC[N+](C)(C)C ZINC001224619089 775227579 /nfs/dbraw/zinc/22/75/79/775227579.db2.gz KIYUAKLXPRTSIL-CYBMUJFWSA-N 1 0 252.378 2.869 20 5 CFBDRO COc1cccc2c1[C@@H](OCCC[N+](C)(C)C)CCO2 ZINC001224621958 775229457 /nfs/dbraw/zinc/22/94/57/775229457.db2.gz DGTRRTIYVSCUGG-HNNXBMFYSA-N 1 0 280.388 2.632 20 5 CFBDRO C[N+](C)(C)CCO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224775120 775269312 /nfs/dbraw/zinc/26/93/12/775269312.db2.gz IYRXUVCVSYXUPW-MRXNPFEDSA-N 1 0 295.422 2.513 20 5 CFBDRO CCOc1ccc(CCO[C@H](C)C[N+](C)(C)C)cc1 ZINC001225067412 775348166 /nfs/dbraw/zinc/34/81/66/775348166.db2.gz GLLJDEGMQFSFNU-CQSZACIVSA-N 1 0 266.405 2.739 20 5 CFBDRO C[NH2+][C@H]1C[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001217956739 775403513 /nfs/dbraw/zinc/40/35/13/775403513.db2.gz ZZGVPEQNHCSMAL-HAQNSBGRSA-N 1 0 264.325 2.649 20 5 CFBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001225342193 775418321 /nfs/dbraw/zinc/41/83/21/775418321.db2.gz GGNNKYAHCNRLBV-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO O=[N+]([O-])c1cc(OC2CCN(CCF)CC2)ccc1F ZINC001225382815 775436742 /nfs/dbraw/zinc/43/67/42/775436742.db2.gz SFLREWICPKJMBR-UHFFFAOYSA-N 1 0 286.278 2.547 20 5 CFBDRO Cc1c(O[C@@H]2CC[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001218028164 775453703 /nfs/dbraw/zinc/45/37/03/775453703.db2.gz SUKOEFCPUFAWJI-ZWNOBZJWSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218060096 775464632 /nfs/dbraw/zinc/46/46/32/775464632.db2.gz LLRBJPMSSLKTDW-VXGBXAGGSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cccnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225589898 775513439 /nfs/dbraw/zinc/51/34/39/775513439.db2.gz HCKOUXOGLZRNML-AWEZNQCLSA-N 1 0 299.330 2.643 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1OC1CC[NH+](C2CC2)CC1 ZINC001225666704 775549209 /nfs/dbraw/zinc/54/92/09/775549209.db2.gz LFYCELKUGILTBH-UHFFFAOYSA-N 1 0 280.299 2.740 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001225905511 775629732 /nfs/dbraw/zinc/62/97/32/775629732.db2.gz VCDNOBXZVAOZNK-ZSBIGDGJSA-N 1 0 280.299 2.738 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218401326 775635264 /nfs/dbraw/zinc/63/52/64/775635264.db2.gz GNMVNKQQEXDXRZ-DGCLKSJQSA-N 1 0 264.325 2.731 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1F ZINC001225943003 775642452 /nfs/dbraw/zinc/64/24/52/775642452.db2.gz VYOKOAUWOQYAIB-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1C ZINC001218419649 775651865 /nfs/dbraw/zinc/65/18/65/775651865.db2.gz CEJKNMWIZPUOAP-YGRLFVJLSA-N 1 0 264.325 2.588 20 5 CFBDRO Cc1cc(Br)cnc1O[C@@H](C)C[N+](C)(C)C ZINC001226092395 775696390 /nfs/dbraw/zinc/69/63/90/775696390.db2.gz WCXUXIMKELNMOV-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226130424 775710819 /nfs/dbraw/zinc/71/08/19/775710819.db2.gz MXYGXYFGIPEJNM-SNVBAGLBSA-N 1 0 285.731 2.506 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226190001 775730982 /nfs/dbraw/zinc/73/09/82/775730982.db2.gz HXJBGRNSCZNBGC-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226197547 775734101 /nfs/dbraw/zinc/73/41/01/775734101.db2.gz CTCYILWIAQSZRN-MRVPVSSYSA-N 1 0 291.730 2.861 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226271400 775765497 /nfs/dbraw/zinc/76/54/97/775765497.db2.gz YZZCSFLGMAGXIN-GFCCVEGCSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(=O)c1ccc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001226293691 775770300 /nfs/dbraw/zinc/77/03/00/775770300.db2.gz ZRBLYXKPBRMSOZ-CYBMUJFWSA-N 1 0 292.335 2.661 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226333799 775782067 /nfs/dbraw/zinc/78/20/67/775782067.db2.gz OAHSYFUGDOICCD-NSHDSACASA-N 1 0 280.324 2.552 20 5 CFBDRO Cc1c(C)c(=O)oc2cc(O[C@@H](C)C[N+](C)(C)C)ccc12 ZINC001226476697 775839679 /nfs/dbraw/zinc/83/96/79/775839679.db2.gz VENMWUFNEYQHJU-NSHDSACASA-N 1 0 290.383 2.883 20 5 CFBDRO COc1cccc(O[C@H](C)C[N+](C)(C)C)c1Cl ZINC001226632011 775896887 /nfs/dbraw/zinc/89/68/87/775896887.db2.gz ZMCHYGATKGFTCE-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000695636382 775901296 /nfs/dbraw/zinc/90/12/96/775901296.db2.gz GIXSTGAAZUIOFC-JTQLQIEISA-N 1 0 268.744 2.887 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccc([N+](=O)[O-])c2)CC1 ZINC001226763167 775952752 /nfs/dbraw/zinc/95/27/52/775952752.db2.gz KTGFPVXPRAPTIL-AULYBMBSSA-N 1 0 264.325 2.846 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Cl)cc1Cl ZINC001226892716 776005801 /nfs/dbraw/zinc/00/58/01/776005801.db2.gz DVQGIBUISDROEC-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226918073 776016309 /nfs/dbraw/zinc/01/63/09/776016309.db2.gz PRAUHOINZDAHNM-UHFFFAOYSA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccccn2)cn1 ZINC001227294572 776172798 /nfs/dbraw/zinc/17/27/98/776172798.db2.gz KHNIYRLMSHLPPY-ZDUSSCGKSA-N 1 0 272.372 2.617 20 5 CFBDRO CCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001227405795 776194753 /nfs/dbraw/zinc/19/47/53/776194753.db2.gz BHZYNTIRXXYAHW-LBPRGKRZSA-N 1 0 252.378 2.731 20 5 CFBDRO COc1cc(CCC(C)=O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227529078 776219679 /nfs/dbraw/zinc/21/96/79/776219679.db2.gz RLYFHANWUGJHDT-AWEZNQCLSA-N 1 0 294.415 2.690 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227744240 776277329 /nfs/dbraw/zinc/27/73/29/776277329.db2.gz FQVTVCJBHOGHOM-SNVBAGLBSA-N 1 0 292.339 2.580 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2cc(Cl)ncc21 ZINC001227856103 776310961 /nfs/dbraw/zinc/31/09/61/776310961.db2.gz WUONIOITLIZEOB-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC001228015904 776363988 /nfs/dbraw/zinc/36/39/88/776363988.db2.gz HPEFIGITENIKBV-SNVBAGLBSA-N 1 0 286.278 2.736 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001228256542 776436213 /nfs/dbraw/zinc/43/62/13/776436213.db2.gz YPHIKBCICPKYSR-ZDUSSCGKSA-N 1 0 282.727 2.721 20 5 CFBDRO CCOc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001228358338 776472303 /nfs/dbraw/zinc/47/23/03/776472303.db2.gz XXWXSPPHYBHEFX-NSHDSACASA-N 1 0 256.341 2.698 20 5 CFBDRO CC(C)(C)N1CC(Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228610695 776538628 /nfs/dbraw/zinc/53/86/28/776538628.db2.gz YAIYJVKGMORAOI-UHFFFAOYSA-N 1 0 286.278 2.735 20 5 CFBDRO CCN1CC(Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228738941 776591701 /nfs/dbraw/zinc/59/17/01/776591701.db2.gz UIWDBTXIVSHQKL-UHFFFAOYSA-N 1 0 279.343 2.866 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)CCC2 ZINC001228841392 776630761 /nfs/dbraw/zinc/63/07/61/776630761.db2.gz AGRVGUYQUBLBMA-LBPRGKRZSA-N 1 0 262.373 2.679 20 5 CFBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001228970875 776672006 /nfs/dbraw/zinc/67/20/06/776672006.db2.gz LZUSDNRVXCOMGD-LBPRGKRZSA-N 1 0 292.335 2.659 20 5 CFBDRO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001228970653 776672481 /nfs/dbraw/zinc/67/24/81/776672481.db2.gz KNJMWXZLMLESJA-LBPRGKRZSA-N 1 0 292.335 2.661 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229376881 776794396 /nfs/dbraw/zinc/79/43/96/776794396.db2.gz MUSRZHIBUXVFRA-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc(C)c1[N+](=O)[O-] ZINC001229469965 776822139 /nfs/dbraw/zinc/82/21/39/776822139.db2.gz MSURSMCWTVDXJQ-GFCCVEGCSA-N 1 0 267.349 2.685 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ccc(F)cc21 ZINC001229516566 776837800 /nfs/dbraw/zinc/83/78/00/776837800.db2.gz GGLBSSYABIUCSF-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO CC(C)(C)c1ccc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001167915055 776844053 /nfs/dbraw/zinc/84/40/53/776844053.db2.gz QKRPUTNUTLDJBF-UHFFFAOYSA-N 1 0 296.396 2.931 20 5 CFBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001229678119 776870197 /nfs/dbraw/zinc/87/01/97/776870197.db2.gz CQZQKUAJYZXGDW-LBPRGKRZSA-N 1 0 287.383 2.911 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229918704 776918585 /nfs/dbraw/zinc/91/85/85/776918585.db2.gz GLMPXPKTEUSYHZ-SNVBAGLBSA-N 1 0 299.758 2.895 20 5 CFBDRO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC001230471664 776996453 /nfs/dbraw/zinc/99/64/53/776996453.db2.gz NLQSASWZSOLSKA-HNNXBMFYSA-N 1 0 276.336 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H](C)C[N+](C)(C)C ZINC001230722938 777051111 /nfs/dbraw/zinc/05/11/11/777051111.db2.gz CFVYMJZTPVQNPG-GFCCVEGCSA-N 1 0 267.349 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2cccc(F)c2c1 ZINC001231136150 777152984 /nfs/dbraw/zinc/15/29/84/777152984.db2.gz WCOWRJKJODWPHD-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2cc(F)c(F)cc2c1 ZINC001231142446 777155368 /nfs/dbraw/zinc/15/53/68/777155368.db2.gz MSYDMFUQYLZXDT-JTQLQIEISA-N 1 0 281.326 2.987 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(F)cc1OC1CC[NH+](C2CC2)CC1 ZINC001225777978 777269997 /nfs/dbraw/zinc/26/99/97/777269997.db2.gz FFANZWICSBVBPY-UHFFFAOYSA-N 1 0 298.289 2.879 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2c(C)cc(C)cc2[N+](=O)[O-])C1 ZINC001228230898 778027198 /nfs/dbraw/zinc/02/71/98/778027198.db2.gz WXKJILLMWJQZFS-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777419 778074901 /nfs/dbraw/zinc/07/49/01/778074901.db2.gz AFKNJDRLNLXZCU-NSHDSACASA-N 1 0 287.319 2.616 20 5 CFBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001234220730 778188733 /nfs/dbraw/zinc/18/87/33/778188733.db2.gz DZWCXGXOMNDKQK-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO Cc1cc(F)c(O[C@@H](C)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001234061665 778155447 /nfs/dbraw/zinc/15/54/47/778155447.db2.gz WPMGRNNSBHDSHA-JTQLQIEISA-N 1 0 271.312 2.516 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087667 778162076 /nfs/dbraw/zinc/16/20/76/778162076.db2.gz QNSMIOZWFNYPKD-ZDUSSCGKSA-N 1 0 279.343 2.866 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)ccc(O)c1F ZINC001234263323 778196269 /nfs/dbraw/zinc/19/62/69/778196269.db2.gz XIJYFDBHBJMFJL-QMMMGPOBSA-O 1 0 262.732 2.658 20 5 CFBDRO CC1(Nc2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]CC1 ZINC001168182092 778221585 /nfs/dbraw/zinc/22/15/85/778221585.db2.gz KYQSHEWYHXIVKE-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO CCc1cc(OC)c(O[C@H](C)C[N+](C)(C)C)cc1F ZINC001234648823 778275962 /nfs/dbraw/zinc/27/59/62/778275962.db2.gz KOCVFVZDJGJMMK-LLVKDONJSA-N 1 0 270.368 2.870 20 5 CFBDRO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001234899660 778325414 /nfs/dbraw/zinc/32/54/14/778325414.db2.gz DAMOBLZJVADUOU-GFCCVEGCSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H](OC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224019454 778396062 /nfs/dbraw/zinc/39/60/62/778396062.db2.gz HQHNGUUMXDQBRY-LLVKDONJSA-N 1 0 264.325 2.767 20 5 CFBDRO C[N+](C)(C)CCCO[C@H]1CCC(=O)c2ccccc21 ZINC001224621811 778603122 /nfs/dbraw/zinc/60/31/22/778603122.db2.gz DFWWXVFHAGDXEL-INIZCTEOSA-N 1 0 262.373 2.817 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699466010 779273347 /nfs/dbraw/zinc/27/33/47/779273347.db2.gz OZAYZOWHIIMIND-MDZLAQPJSA-N 1 0 264.325 2.589 20 5 CFBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351925194 780595547 /nfs/dbraw/zinc/59/55/47/780595547.db2.gz KNHOBQDPTWJRAE-HNNXBMFYSA-N 1 0 296.342 2.574 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@H]1CCCC[NH2+]C1 ZINC000700386301 780683890 /nfs/dbraw/zinc/68/38/90/780683890.db2.gz ZLAOBRPBMISYNV-LBPRGKRZSA-N 1 0 264.325 2.672 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCSC2)cs1 ZINC000704790528 781117397 /nfs/dbraw/zinc/11/73/97/781117397.db2.gz NQTPGUFEYWWRPK-VIFPVBQESA-N 1 0 272.395 2.889 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000710985818 781351930 /nfs/dbraw/zinc/35/19/30/781351930.db2.gz AZJNOOLSQAHSSW-DMDPSCGWSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711463807 781440728 /nfs/dbraw/zinc/44/07/28/781440728.db2.gz WLFKSGGPPPZWDM-CYBMUJFWSA-N 1 0 276.336 2.786 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594513349 349436761 /nfs/dbraw/zinc/43/67/61/349436761.db2.gz XUBCMKFQMWNWSH-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cs1 ZINC000594519790 349439952 /nfs/dbraw/zinc/43/99/52/349439952.db2.gz LLUNGPIOVYNTER-OLZOCXBDSA-N 1 0 295.408 2.763 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594546598 349445104 /nfs/dbraw/zinc/44/51/04/349445104.db2.gz UKKIJWWIPMZAIP-NEPJUHHUSA-N 1 0 291.351 2.642 20 5 CFBDRO CC(C)n1ccnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000594918478 349505738 /nfs/dbraw/zinc/50/57/38/349505738.db2.gz AJMVKISLEULDIJ-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CO1 ZINC000594937821 349518988 /nfs/dbraw/zinc/51/89/88/349518988.db2.gz JAPFPQLWIRBEOK-OLZOCXBDSA-N 1 0 264.325 2.560 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124748277 187151952 /nfs/dbraw/zinc/15/19/52/187151952.db2.gz AZSBELQASQFKKN-SECBINFHSA-N 1 0 269.732 2.612 20 5 CFBDRO C[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000124952273 187162602 /nfs/dbraw/zinc/16/26/02/187162602.db2.gz BNKFEQBUSYBSQW-JTQLQIEISA-N 1 0 292.360 2.794 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594969606 349534980 /nfs/dbraw/zinc/53/49/80/349534980.db2.gz XTXVYVLUBJIAQM-CQSZACIVSA-N 1 0 291.395 2.866 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)C1(CO)CC1 ZINC000594970330 349536036 /nfs/dbraw/zinc/53/60/36/349536036.db2.gz YIGHQTPWUSPGID-RPHSKFLZSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000594983559 349538805 /nfs/dbraw/zinc/53/88/05/349538805.db2.gz FKIHJHVPYCFTLO-KOLCDFICSA-N 1 0 270.354 2.704 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)NCc1csc([N+](=O)[O-])c1 ZINC000594978915 349537035 /nfs/dbraw/zinc/53/70/35/349537035.db2.gz CZWXTIGWCBKEON-GFCCVEGCSA-N 1 0 297.424 2.866 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000595008068 349545948 /nfs/dbraw/zinc/54/59/48/349545948.db2.gz PIQWGEXAJPALCQ-BXUZGUMPSA-N 1 0 286.335 2.977 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CC1 ZINC000595007506 349546060 /nfs/dbraw/zinc/54/60/60/349546060.db2.gz PCBUWNASEXXFMX-SECBINFHSA-N 1 0 250.298 2.664 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000595008070 349546659 /nfs/dbraw/zinc/54/66/59/349546659.db2.gz PIQWGEXAJPALCQ-RISCZKNCSA-N 1 0 286.335 2.977 20 5 CFBDRO C[C@@H](CSCCF)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595012832 349548981 /nfs/dbraw/zinc/54/89/81/349548981.db2.gz PBSPZOQVETYUEE-NSHDSACASA-N 1 0 286.372 2.818 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC000595019043 349551970 /nfs/dbraw/zinc/55/19/70/349551970.db2.gz QHLCZQUWZALQTE-LLVKDONJSA-N 1 0 294.351 2.559 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000595022243 349552944 /nfs/dbraw/zinc/55/29/44/349552944.db2.gz SKYBOZICEXPHDN-IAQYHMDHSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC=CC1 ZINC000595022776 349553873 /nfs/dbraw/zinc/55/38/73/349553873.db2.gz VSJMNPMUOHZFBB-SNVBAGLBSA-N 1 0 262.309 2.973 20 5 CFBDRO CSC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000290203233 197629900 /nfs/dbraw/zinc/62/99/00/197629900.db2.gz DEBBTIYSHPYQJW-UHFFFAOYSA-N 1 0 266.366 2.623 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000595068513 349573327 /nfs/dbraw/zinc/57/33/27/349573327.db2.gz PQWJKYVSGNHVBL-NHYWBVRUSA-N 1 0 290.363 2.723 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595056645 349568675 /nfs/dbraw/zinc/56/86/75/349568675.db2.gz OUVCGLVLPGNYKC-SMDDNHRTSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[C@H]([NH2+]CC[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000595058994 349570212 /nfs/dbraw/zinc/57/02/12/349570212.db2.gz DZUKUYFYGHUNML-CABCVRRESA-N 1 0 296.367 2.687 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(CO)CC1 ZINC000595066252 349572344 /nfs/dbraw/zinc/57/23/44/349572344.db2.gz HBZRMHGCXLYWDA-OLZOCXBDSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(CO)CC1 ZINC000595066254 349572531 /nfs/dbraw/zinc/57/25/31/349572531.db2.gz HBZRMHGCXLYWDA-STQMWFEESA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595037101 349559097 /nfs/dbraw/zinc/55/90/97/349559097.db2.gz BOGPGTFIXSONEW-ZYHUDNBSSA-N 1 0 282.340 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1(O)CCC1 ZINC000595037956 349559250 /nfs/dbraw/zinc/55/92/50/349559250.db2.gz AVJLLWCDHNFGNE-LLVKDONJSA-N 1 0 294.351 2.559 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595088877 349577158 /nfs/dbraw/zinc/57/71/58/349577158.db2.gz FNAUQILPNBTGIK-NILFDRSVSA-N 1 0 290.363 2.857 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000595090872 349578516 /nfs/dbraw/zinc/57/85/16/349578516.db2.gz RSGPJGGOEAWITC-OCCSQVGLSA-N 1 0 292.379 2.962 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595107659 349582899 /nfs/dbraw/zinc/58/28/99/349582899.db2.gz PGPQWNABFVNAGZ-KFWWJZLASA-N 1 0 276.336 2.739 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000595251460 349586949 /nfs/dbraw/zinc/58/69/49/349586949.db2.gz DGYJBBRSALPZFX-UHFFFAOYSA-N 1 0 289.335 2.503 20 5 CFBDRO Cc1ccc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595254414 349587049 /nfs/dbraw/zinc/58/70/49/349587049.db2.gz PJHGPPTXWAKAGO-UHFFFAOYSA-N 1 0 289.335 2.503 20 5 CFBDRO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595312289 349600622 /nfs/dbraw/zinc/60/06/22/349600622.db2.gz JDYWSSLZPBJFNC-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000595328067 349602301 /nfs/dbraw/zinc/60/23/01/349602301.db2.gz VQRGZORVHWVJOZ-TXEJJXNPSA-N 1 0 264.300 2.822 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328373 349602363 /nfs/dbraw/zinc/60/23/63/349602363.db2.gz ITDDPXQKHICNAL-UKRRQHHQSA-N 1 0 296.342 2.859 20 5 CFBDRO Cc1noc(C[N@@H+]2CCCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595325503 349602474 /nfs/dbraw/zinc/60/24/74/349602474.db2.gz IRMCPNBCKCLWTC-UHFFFAOYSA-N 1 0 267.329 2.903 20 5 CFBDRO CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291160 349592670 /nfs/dbraw/zinc/59/26/70/349592670.db2.gz HGGNVQXJOJYYEJ-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595294383 349593628 /nfs/dbraw/zinc/59/36/28/349593628.db2.gz LXDPKBSDGLKEBX-SNVBAGLBSA-N 1 0 253.302 2.512 20 5 CFBDRO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000595295445 349595295 /nfs/dbraw/zinc/59/52/95/349595295.db2.gz FWIHNKAAYVYODS-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595365197 349610347 /nfs/dbraw/zinc/61/03/47/349610347.db2.gz ZWPWTDJXYIHCNU-UHFFFAOYSA-N 1 0 295.358 2.696 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3CCC3)C2)nc1 ZINC000595372784 349611317 /nfs/dbraw/zinc/61/13/17/349611317.db2.gz VDFVZJBXCQAQHN-ZDUSSCGKSA-N 1 0 290.367 2.666 20 5 CFBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000273096049 192041392 /nfs/dbraw/zinc/04/13/92/192041392.db2.gz URAHGVQZSXKDIY-CHWSQXEVSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000273096050 192041608 /nfs/dbraw/zinc/04/16/08/192041608.db2.gz URAHGVQZSXKDIY-OLZOCXBDSA-N 1 0 278.352 2.890 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595386623 349613026 /nfs/dbraw/zinc/61/30/26/349613026.db2.gz IYAZDGZEQHOUMC-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO CS[C@@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595388829 349613970 /nfs/dbraw/zinc/61/39/70/349613970.db2.gz XJMQPPJIKXGZPW-SNVBAGLBSA-N 1 0 285.369 2.609 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595396640 349616303 /nfs/dbraw/zinc/61/63/03/349616303.db2.gz NQXJFIQSKBFVDP-VHSXEESVSA-N 1 0 267.329 2.759 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000595396510 349616392 /nfs/dbraw/zinc/61/63/92/349616392.db2.gz WNSNZJALFDWTSU-AAEUAGOBSA-N 1 0 294.326 2.592 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595419006 349619641 /nfs/dbraw/zinc/61/96/41/349619641.db2.gz VYBJQGRODUMZDZ-SNVBAGLBSA-N 1 0 282.315 2.639 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000068658688 346862724 /nfs/dbraw/zinc/86/27/24/346862724.db2.gz LFZDADABNKQGQV-LBPRGKRZSA-N 1 0 290.323 2.606 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428049 349623307 /nfs/dbraw/zinc/62/33/07/349623307.db2.gz ZIFBASAHSANOEJ-HZMBPMFUSA-N 1 0 279.340 2.903 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595433590 349624734 /nfs/dbraw/zinc/62/47/34/349624734.db2.gz YCFVWHQIPRDZKE-JSGCOSHPSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@H]1CSCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595463037 349634492 /nfs/dbraw/zinc/63/44/92/349634492.db2.gz YFEFQVBHEIPPFK-SNVBAGLBSA-N 1 0 284.356 2.919 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595481879 349639511 /nfs/dbraw/zinc/63/95/11/349639511.db2.gz KCJZVBKEWHKBFH-CYBMUJFWSA-N 1 0 284.331 2.885 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521313 349649783 /nfs/dbraw/zinc/64/97/83/349649783.db2.gz APRIWNPWAYCCAB-TZMCWYRMSA-N 1 0 282.315 2.781 20 5 CFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595520839 349650351 /nfs/dbraw/zinc/65/03/51/349650351.db2.gz ODTJUWHZEVJBMC-ZDUSSCGKSA-N 1 0 296.342 2.717 20 5 CFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000595521402 349650486 /nfs/dbraw/zinc/65/04/86/349650486.db2.gz RSTAWSNPOHIKNN-ZDUSSCGKSA-N 1 0 298.358 2.963 20 5 CFBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000595557796 349658970 /nfs/dbraw/zinc/65/89/70/349658970.db2.gz KNRZYVBXTXIUPS-CYBMUJFWSA-N 1 0 282.315 2.735 20 5 CFBDRO CCN(Cc1onc(C)c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000595543427 349655697 /nfs/dbraw/zinc/65/56/97/349655697.db2.gz JQFQLUZDURKEEU-UHFFFAOYSA-N 1 0 267.329 2.902 20 5 CFBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000595553025 349657352 /nfs/dbraw/zinc/65/73/52/349657352.db2.gz UFWHHKVUKOTKJS-ZJUUUORDSA-N 1 0 267.329 2.806 20 5 CFBDRO C[C@@]1(C2CC2)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616771 349676994 /nfs/dbraw/zinc/67/69/94/349676994.db2.gz CJZGABUUWWKMKV-INIZCTEOSA-N 1 0 290.363 2.638 20 5 CFBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595642183 349687596 /nfs/dbraw/zinc/68/75/96/349687596.db2.gz QLZVWNHRQXZECS-SECBINFHSA-N 1 0 255.318 2.806 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595689171 349701394 /nfs/dbraw/zinc/70/13/94/349701394.db2.gz MQTRKPFVVGAEAJ-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@]12COC[C@]1(C)CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000595690982 349702174 /nfs/dbraw/zinc/70/21/74/349702174.db2.gz XBCYEGOEDPBARO-BETUJISGSA-N 1 0 282.365 2.515 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671858 349696018 /nfs/dbraw/zinc/69/60/18/349696018.db2.gz XAUIXNLWYGCFAW-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744617 349721633 /nfs/dbraw/zinc/72/16/33/349721633.db2.gz KUSPNYUHNHQCIL-ZAZJYDDPSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595706942 349712167 /nfs/dbraw/zinc/71/21/67/349712167.db2.gz ZECMEZGIRNBDLV-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO COC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000459692648 536737213 /nfs/dbraw/zinc/73/72/13/536737213.db2.gz VOJICLZVUFNGSF-UHFFFAOYSA-N 1 0 282.315 2.781 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595810888 349737759 /nfs/dbraw/zinc/73/77/59/349737759.db2.gz PGFKBXHDHQXAQE-CHWSQXEVSA-N 1 0 276.336 2.835 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760148 349726016 /nfs/dbraw/zinc/72/60/16/349726016.db2.gz SDRCWVWUFUAJOW-XEZPLFJOSA-N 1 0 290.363 2.933 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)CO ZINC000595880775 349760660 /nfs/dbraw/zinc/76/06/60/349760660.db2.gz ZEKPIAAKMARTNX-HZMBPMFUSA-N 1 0 298.770 2.699 20 5 CFBDRO CC12CC(C1)C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000595915856 349768457 /nfs/dbraw/zinc/76/84/57/349768457.db2.gz PITBUCJOBUIBTQ-UHFFFAOYSA-N 1 0 250.273 2.718 20 5 CFBDRO Cc1cc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC000596077351 349788065 /nfs/dbraw/zinc/78/80/65/349788065.db2.gz UQRRFQKGJVBJIU-UHFFFAOYSA-N 1 0 269.370 2.863 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000154320716 529651208 /nfs/dbraw/zinc/65/12/08/529651208.db2.gz BYPXGYCOJANXRJ-LEWSCRJBSA-N 1 0 298.408 2.748 20 5 CFBDRO COc1cc(NCC[N@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596089090 349792121 /nfs/dbraw/zinc/79/21/21/349792121.db2.gz SJMSDNHJEGRHFC-UHFFFAOYSA-N 1 0 299.758 2.763 20 5 CFBDRO CC[C@H]([NH2+]CCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596095423 349793665 /nfs/dbraw/zinc/79/36/65/349793665.db2.gz QIHKCKOXBWPMPL-ZDUSSCGKSA-N 1 0 270.304 2.622 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(CO)CC1 ZINC000273889452 192351645 /nfs/dbraw/zinc/35/16/45/192351645.db2.gz VCWXRRCRSRROMA-GFCCVEGCSA-N 1 0 278.352 2.750 20 5 CFBDRO C[NH2+]C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000596106331 349795721 /nfs/dbraw/zinc/79/57/21/349795721.db2.gz OKDYUEJMWDVFSR-LLVKDONJSA-N 1 0 289.335 2.552 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126389131 187236799 /nfs/dbraw/zinc/23/67/99/187236799.db2.gz YVQFNYHQRNOJMI-HZMBPMFUSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000294981519 199282927 /nfs/dbraw/zinc/28/29/27/199282927.db2.gz GPDWHPJTJSDGRR-GFCCVEGCSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596145942 349808050 /nfs/dbraw/zinc/80/80/50/349808050.db2.gz ITXMTAMSPHWVKZ-PSASIEDQSA-N 1 0 269.370 2.859 20 5 CFBDRO CC/C=C/C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000295009908 199297558 /nfs/dbraw/zinc/29/75/58/199297558.db2.gz JHPPHZWYLGMBAH-SNAWJCMRSA-N 1 0 250.298 2.659 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596244029 349838902 /nfs/dbraw/zinc/83/89/02/349838902.db2.gz OBABTMWEXJDVHW-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596259214 349845073 /nfs/dbraw/zinc/84/50/73/349845073.db2.gz UVNOEEWWLHBVTI-SNVBAGLBSA-N 1 0 283.397 2.885 20 5 CFBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000413345784 529884351 /nfs/dbraw/zinc/88/43/51/529884351.db2.gz GEYXOWMGOHKSLI-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287325 347006994 /nfs/dbraw/zinc/00/69/94/347006994.db2.gz JBLWRKVIUALYIY-HUUCEWRRSA-N 1 0 278.352 2.720 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074748671 347030501 /nfs/dbraw/zinc/03/05/01/347030501.db2.gz BEICHDAFJZUBIX-LBPRGKRZSA-N 1 0 290.367 2.727 20 5 CFBDRO CC(C)[NH+](CCCNc1ccncc1[N+](=O)[O-])C(C)C ZINC000074773074 347032484 /nfs/dbraw/zinc/03/24/84/347032484.db2.gz ZTYZOPCXPRIETD-UHFFFAOYSA-N 1 0 280.372 2.911 20 5 CFBDRO C[NH2+]CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423203525 529971380 /nfs/dbraw/zinc/97/13/80/529971380.db2.gz SLYZXHHAEMDBEY-KRWDZBQOSA-N 1 0 299.374 2.883 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000413450747 530060861 /nfs/dbraw/zinc/06/08/61/530060861.db2.gz YXSTZZDWVWJVFH-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@H](CCO)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295099174 199344413 /nfs/dbraw/zinc/34/44/13/199344413.db2.gz KFVVMAJEEUMAPE-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH+]2CCCCCC2)c2c(c1)COCO2 ZINC000011234194 346229412 /nfs/dbraw/zinc/22/94/12/346229412.db2.gz FZBHLXRGULWUIR-UHFFFAOYSA-N 1 0 292.335 2.837 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000030148672 346286537 /nfs/dbraw/zinc/28/65/37/346286537.db2.gz ZWVYBSFJLHYXPU-LLVKDONJSA-N 1 0 279.340 2.510 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000046037730 346418171 /nfs/dbraw/zinc/41/81/71/346418171.db2.gz ZOEJWTYITQLFHS-UHFFFAOYSA-N 1 0 276.292 2.699 20 5 CFBDRO CCC[C@H](N[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596653401 349969586 /nfs/dbraw/zinc/96/95/86/349969586.db2.gz KIJAJYRUTSAHRQ-RISCZKNCSA-N 1 0 265.357 2.634 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCOC1 ZINC000052072611 346513167 /nfs/dbraw/zinc/51/31/67/346513167.db2.gz IKORFNNPDJQPQS-ZDUSSCGKSA-N 1 0 278.352 2.762 20 5 CFBDRO Cc1c([C@@H](C)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000596647727 349967633 /nfs/dbraw/zinc/96/76/33/349967633.db2.gz AFLABIBSXHROED-GFCCVEGCSA-N 1 0 277.368 2.825 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000051260035 346501866 /nfs/dbraw/zinc/50/18/66/346501866.db2.gz YQBQYIHOWRRKPI-UHFFFAOYSA-N 1 0 276.292 2.699 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000268973558 232531185 /nfs/dbraw/zinc/53/11/85/232531185.db2.gz IOLNGHZKUAPMHK-GVXVVHGQSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000063615397 346705772 /nfs/dbraw/zinc/70/57/72/346705772.db2.gz OOEKEKYVPUIXCG-NSHDSACASA-N 1 0 291.351 2.572 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066811136 346780347 /nfs/dbraw/zinc/78/03/47/346780347.db2.gz LHCKDDVOIHHXQW-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000075895073 347107007 /nfs/dbraw/zinc/10/70/07/347107007.db2.gz KVWBUTJARJMJRW-QWRGUYRKSA-N 1 0 266.366 2.921 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078562784 347261743 /nfs/dbraw/zinc/26/17/43/347261743.db2.gz AZUYWMVBYKKCOO-LBPRGKRZSA-N 1 0 295.358 2.902 20 5 CFBDRO Cc1cnc(NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078628869 347266041 /nfs/dbraw/zinc/26/60/41/347266041.db2.gz ATBLSVYYVAXIKD-GFCCVEGCSA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1cnc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078630725 347266240 /nfs/dbraw/zinc/26/62/40/347266240.db2.gz XUSWQTARWHRWNU-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000078744988 347273090 /nfs/dbraw/zinc/27/30/90/347273090.db2.gz KYKRBESOQKBCAE-LLVKDONJSA-N 1 0 251.330 2.737 20 5 CFBDRO Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000080599397 347368537 /nfs/dbraw/zinc/36/85/37/347368537.db2.gz BBAXXLWWWBPLCB-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc(N(C)CC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000080685010 347374869 /nfs/dbraw/zinc/37/48/69/347374869.db2.gz MNCKPACWVYGAKS-UHFFFAOYSA-N 1 0 271.748 2.554 20 5 CFBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000080685038 347375010 /nfs/dbraw/zinc/37/50/10/347375010.db2.gz AYRLBSDATYGNQU-UHFFFAOYSA-N 1 0 291.273 2.611 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000088718665 347508024 /nfs/dbraw/zinc/50/80/24/347508024.db2.gz PLCBNWBWGWYJSW-CYBMUJFWSA-N 1 0 275.352 2.578 20 5 CFBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091476530 347588236 /nfs/dbraw/zinc/58/82/36/347588236.db2.gz FGZMXBFVOBZQER-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091484524 347590645 /nfs/dbraw/zinc/59/06/45/347590645.db2.gz VVDFMFSXMKOQRH-CQSZACIVSA-N 1 0 289.379 2.907 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000091484958 347590777 /nfs/dbraw/zinc/59/07/77/347590777.db2.gz CUSBKHSXARMTOS-ZDUSSCGKSA-N 1 0 277.368 2.763 20 5 CFBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000092656577 347637966 /nfs/dbraw/zinc/63/79/66/347637966.db2.gz NYEHGPBYMAGLKO-AWEZNQCLSA-N 1 0 289.379 2.825 20 5 CFBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092675623 347639871 /nfs/dbraw/zinc/63/98/71/347639871.db2.gz OTMNRQYUSRFISI-UHFFFAOYSA-N 1 0 277.349 2.797 20 5 CFBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094086273 347690991 /nfs/dbraw/zinc/69/09/91/347690991.db2.gz XOYDDPMVEFWNSK-INIZCTEOSA-N 1 0 283.331 2.954 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094473014 347695660 /nfs/dbraw/zinc/69/56/60/347695660.db2.gz RAGBSUILJWPFOC-PWSUYJOCSA-N 1 0 266.366 2.621 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000111253865 347752948 /nfs/dbraw/zinc/75/29/48/347752948.db2.gz QIYYHERKCSSLSD-GFCCVEGCSA-N 1 0 266.341 2.952 20 5 CFBDRO C[C@@]1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000122186194 347814552 /nfs/dbraw/zinc/81/45/52/347814552.db2.gz HPGYOXLBRMGBKU-AWEZNQCLSA-N 1 0 296.392 2.849 20 5 CFBDRO COc1ccc(OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000116898911 347789319 /nfs/dbraw/zinc/78/93/19/347789319.db2.gz PKTJXTQSFUAHBO-UHFFFAOYSA-N 1 0 294.351 2.858 20 5 CFBDRO CCC[C@@H]([NH2+]CC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000126813300 347837103 /nfs/dbraw/zinc/83/71/03/347837103.db2.gz UYMGPYZRFJOYEO-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO CCOc1cccc(N[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000134908856 347902342 /nfs/dbraw/zinc/90/23/42/347902342.db2.gz FGXFTJJFTJOBCD-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO CCOc1cccc(N[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000134908881 347902409 /nfs/dbraw/zinc/90/24/09/347902409.db2.gz FGXFTJJFTJOBCD-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO COC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131920001 347881350 /nfs/dbraw/zinc/88/13/50/347881350.db2.gz MVJVBYMFCIJNPF-QWRGUYRKSA-N 1 0 252.314 2.589 20 5 CFBDRO COC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131919799 347881500 /nfs/dbraw/zinc/88/15/00/347881500.db2.gz MVJVBYMFCIJNPF-WDEREUQCSA-N 1 0 252.314 2.589 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000153884447 347975793 /nfs/dbraw/zinc/97/57/93/347975793.db2.gz PJZDLOHGCVFVKN-WCQGTBRESA-N 1 0 282.365 2.559 20 5 CFBDRO C[NH+](C)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000157931887 348004326 /nfs/dbraw/zinc/00/43/26/348004326.db2.gz UAZIZHOSAXOSIF-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000159281182 348011553 /nfs/dbraw/zinc/01/15/53/348011553.db2.gz MWYFYBAGNLVZBZ-GFCCVEGCSA-N 1 0 280.372 2.912 20 5 CFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154265513 347979199 /nfs/dbraw/zinc/97/91/99/347979199.db2.gz VYJHLTXESNAVIU-COPLHBTASA-N 1 0 298.408 2.666 20 5 CFBDRO C[C@@H]1SCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000220691771 348170550 /nfs/dbraw/zinc/17/05/50/348170550.db2.gz JSEXMGRXSCUQQE-GXFFZTMASA-N 1 0 266.366 2.621 20 5 CFBDRO CCC[C@@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227447619 348186619 /nfs/dbraw/zinc/18/66/19/348186619.db2.gz ZSQCYGJFCHXEIC-AWEZNQCLSA-N 1 0 280.368 2.526 20 5 CFBDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000227640379 348189051 /nfs/dbraw/zinc/18/90/51/348189051.db2.gz VPCCVPWABHJUHG-XIKARTHZSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000227649211 348189056 /nfs/dbraw/zinc/18/90/56/348189056.db2.gz DKGVKPOGNTULRN-VIFPVBQESA-N 1 0 296.758 2.539 20 5 CFBDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000227640383 348189238 /nfs/dbraw/zinc/18/92/38/348189238.db2.gz VPCCVPWABHJUHG-BZUNDVKYSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[C@@H]([NH3+])c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229926677 348203619 /nfs/dbraw/zinc/20/36/19/348203619.db2.gz UGEQCTAUKLXFQZ-SECBINFHSA-N 1 0 295.730 2.629 20 5 CFBDRO CCCn1nccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884352 348209935 /nfs/dbraw/zinc/20/99/35/348209935.db2.gz MAMIMFSAZBKSPM-UHFFFAOYSA-N 1 0 288.351 2.800 20 5 CFBDRO CC[C@H]([NH2+]C[C@@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012340 179379124 /nfs/dbraw/zinc/37/91/24/179379124.db2.gz KDHVFAAPQBWAKW-KBPBESRZSA-N 1 0 266.341 2.797 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087012300 179379296 /nfs/dbraw/zinc/37/92/96/179379296.db2.gz JOPQUYYJFZKUSS-SMDDNHRTSA-N 1 0 266.341 2.715 20 5 CFBDRO CC(C)[N@H+](CC[C@@H](C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC000450288749 535073277 /nfs/dbraw/zinc/07/32/77/535073277.db2.gz UCPAASJVJVPEAE-GFCCVEGCSA-N 1 0 266.341 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252412619 348295369 /nfs/dbraw/zinc/29/53/69/348295369.db2.gz ADEDHLPMQMLCFK-GDBMZVCRSA-N 1 0 289.379 2.559 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255036872 348302497 /nfs/dbraw/zinc/30/24/97/348302497.db2.gz MCILLLSIUOJHPN-DDJMYBDESA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)CC1 ZINC000293256225 348361973 /nfs/dbraw/zinc/36/19/73/348361973.db2.gz UEYVYQJWRAKRQM-OLZOCXBDSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309842290 348407937 /nfs/dbraw/zinc/40/79/37/348407937.db2.gz QJGAOJRUAHHQED-CBAPKCEASA-N 1 0 258.368 2.640 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000311215741 348412557 /nfs/dbraw/zinc/41/25/57/348412557.db2.gz MYFJHIWGKHHTHT-ZYHUDNBSSA-N 1 0 266.366 2.887 20 5 CFBDRO O=[N+]([O-])c1cnc(NCCC[NH2+]C2CCCCC2)c(F)c1 ZINC000413044748 233010195 /nfs/dbraw/zinc/01/01/95/233010195.db2.gz NJWJYWKBSKEJBU-UHFFFAOYSA-N 1 0 296.346 2.853 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COCc3ccccc32)cc1 ZINC000318537885 348433763 /nfs/dbraw/zinc/43/37/63/348433763.db2.gz KRSZWDCHNPWOPR-KRWDZBQOSA-N 1 0 298.342 2.998 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC)OC ZINC000322911203 348438103 /nfs/dbraw/zinc/43/81/03/348438103.db2.gz ITAMTRNMDBGMEE-AWEZNQCLSA-N 1 0 282.340 2.508 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000313807772 348423986 /nfs/dbraw/zinc/42/39/86/348423986.db2.gz HRSTVKCIDZJRFN-GFCCVEGCSA-N 1 0 295.358 2.698 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000314395273 348425176 /nfs/dbraw/zinc/42/51/76/348425176.db2.gz CYUMIFCMKWNUNG-NEPJUHHUSA-N 1 0 293.367 2.806 20 5 CFBDRO CC[NH+]1CCC(Nc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000314848819 348427970 /nfs/dbraw/zinc/42/79/70/348427970.db2.gz ZRYYYCMMTNGIRC-UHFFFAOYSA-N 1 0 293.367 2.808 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000273409262 192141042 /nfs/dbraw/zinc/14/10/42/192141042.db2.gz HNYBSFARKNPFOF-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000273417223 192142962 /nfs/dbraw/zinc/14/29/62/192142962.db2.gz ISRXGQKPIUOCRU-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO CC(C)[NH+](CCNc1ncc(F)cc1[N+](=O)[O-])C(C)C ZINC000401227219 348577785 /nfs/dbraw/zinc/57/77/85/348577785.db2.gz YIAYLLFCHJUNIW-UHFFFAOYSA-N 1 0 284.335 2.660 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000403468181 348585214 /nfs/dbraw/zinc/58/52/14/348585214.db2.gz NWNNPMGNPKBSRQ-GMTAPVOTSA-N 1 0 252.339 2.935 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CC[NH3+] ZINC000404365309 348591376 /nfs/dbraw/zinc/59/13/76/348591376.db2.gz PBDQALCERQTKDR-NHYWBVRUSA-N 1 0 295.358 2.683 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CC[NH3+] ZINC000404365304 348591400 /nfs/dbraw/zinc/59/14/00/348591400.db2.gz PBDQALCERQTKDR-ABAIWWIYSA-N 1 0 295.358 2.683 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000584590239 348681270 /nfs/dbraw/zinc/68/12/70/348681270.db2.gz RJXZBBJPYCYWKD-WOPDTQHZSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000273951260 192376100 /nfs/dbraw/zinc/37/61/00/192376100.db2.gz MTXFTHQAUPMUKN-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206572 348819618 /nfs/dbraw/zinc/81/96/18/348819618.db2.gz ZNNAXABEMLFJJJ-NHYWBVRUSA-N 1 0 295.358 2.506 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000589584245 348839627 /nfs/dbraw/zinc/83/96/27/348839627.db2.gz LGZDQZFLODXPQV-RKDXNWHRSA-N 1 0 267.354 2.693 20 5 CFBDRO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000589877289 348862388 /nfs/dbraw/zinc/86/23/88/348862388.db2.gz ASVFRCWWZRJXGY-LLVKDONJSA-N 1 0 295.408 2.967 20 5 CFBDRO O=[N+]([O-])c1cccc(CCNc2[nH+]ccc3[nH]ccc32)c1 ZINC000590581700 348910760 /nfs/dbraw/zinc/91/07/60/348910760.db2.gz MIJCEUGYTBYILL-UHFFFAOYSA-N 1 0 282.303 2.548 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000590644560 348919669 /nfs/dbraw/zinc/91/96/69/348919669.db2.gz DDKOQDIDABYJJW-TZMCWYRMSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cn[nH]c3)C2)cc1 ZINC000590659588 348924432 /nfs/dbraw/zinc/92/44/32/348924432.db2.gz PGQLPTWQUUPFHC-CQSZACIVSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000590970342 348974451 /nfs/dbraw/zinc/97/44/51/348974451.db2.gz VKEXZMKSAUZUPT-HUUCEWRRSA-N 1 0 288.347 2.596 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591850152 349051233 /nfs/dbraw/zinc/05/12/33/349051233.db2.gz VZMPTFLWAJCHPZ-ZDUSSCGKSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000591442959 349022734 /nfs/dbraw/zinc/02/27/34/349022734.db2.gz ZQOWEBFRRQBHHW-LBPRGKRZSA-N 1 0 293.342 2.560 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000591505421 349027420 /nfs/dbraw/zinc/02/74/20/349027420.db2.gz OGDDVJXOLCVVGA-CQSZACIVSA-N 1 0 290.363 2.783 20 5 CFBDRO CC1(C)C[C@H](NCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000591577263 349030695 /nfs/dbraw/zinc/03/06/95/349030695.db2.gz KRGAMSAAGQWECX-HNNXBMFYSA-N 1 0 289.379 2.659 20 5 CFBDRO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582666 349032517 /nfs/dbraw/zinc/03/25/17/349032517.db2.gz SRBHKPSBYIQQBI-TZMCWYRMSA-N 1 0 289.379 2.920 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591686587 349038138 /nfs/dbraw/zinc/03/81/38/349038138.db2.gz CHHCUZVRBBAIRY-HAQNSBGRSA-N 1 0 264.325 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3=CCCC3)C2)nc1 ZINC000592079981 349080797 /nfs/dbraw/zinc/08/07/97/349080797.db2.gz KBEBUXSJSSZVPD-CYBMUJFWSA-N 1 0 288.351 2.586 20 5 CFBDRO CC[N@H+](CCSC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592202382 349099892 /nfs/dbraw/zinc/09/98/92/349099892.db2.gz YTNNTOLNIVMCSF-UHFFFAOYSA-N 1 0 295.364 2.921 20 5 CFBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000592374428 349111376 /nfs/dbraw/zinc/11/13/76/349111376.db2.gz GKQQCGUKBQJSEO-PWSUYJOCSA-N 1 0 284.331 2.621 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592521278 349132368 /nfs/dbraw/zinc/13/23/68/349132368.db2.gz ZZGZPEGDOUTUCR-HNNXBMFYSA-N 1 0 277.368 2.511 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000592521279 349132404 /nfs/dbraw/zinc/13/24/04/349132404.db2.gz ZZGZPEGDOUTUCR-OAHLLOKOSA-N 1 0 277.368 2.511 20 5 CFBDRO C[NH+](C)Cc1cccc(-c2cc(CO)cc([N+](=O)[O-])c2)c1 ZINC000592987393 349181336 /nfs/dbraw/zinc/18/13/36/349181336.db2.gz RGIKQGIGSVHJTK-UHFFFAOYSA-N 1 0 286.331 2.816 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593115483 349212450 /nfs/dbraw/zinc/21/24/50/349212450.db2.gz JRDPXGOHIUVOFX-LBPRGKRZSA-N 1 0 268.263 2.826 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116056 349213403 /nfs/dbraw/zinc/21/34/03/349213403.db2.gz KWZOZGQZNQELRY-ZDUSSCGKSA-N 1 0 298.289 2.705 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2(O)CC2)CC1 ZINC000593048260 349192997 /nfs/dbraw/zinc/19/29/97/349192997.db2.gz BFBRYIHVBNPACV-LBPRGKRZSA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593054486 349195948 /nfs/dbraw/zinc/19/59/48/349195948.db2.gz DYKJPPZRWLBRLS-HNNXBMFYSA-N 1 0 278.352 2.984 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](C)CO)CC1 ZINC000593082464 349204157 /nfs/dbraw/zinc/20/41/57/349204157.db2.gz HMHUPXUJTMQHDX-CHWSQXEVSA-N 1 0 292.379 2.996 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000593316160 349245596 /nfs/dbraw/zinc/24/55/96/349245596.db2.gz MXKWNKJLXZXBGM-AWEZNQCLSA-N 1 0 283.331 2.721 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593467838 349276847 /nfs/dbraw/zinc/27/68/47/349276847.db2.gz DHWFMGPHSSIJJL-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000594006377 349351975 /nfs/dbraw/zinc/35/19/75/349351975.db2.gz XYHDAZTXGNECOC-ZDUSSCGKSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000593719075 349314856 /nfs/dbraw/zinc/31/48/56/349314856.db2.gz UWKDGHSPMFCOSG-GFCCVEGCSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503312 349433214 /nfs/dbraw/zinc/43/32/14/349433214.db2.gz UYVLFLHLTRDBRC-XUJVJEKNSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000271214738 191005769 /nfs/dbraw/zinc/00/57/69/191005769.db2.gz WURMZKHBZKFJOB-HNNXBMFYSA-N 1 0 278.352 2.722 20 5 CFBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414589528 233299748 /nfs/dbraw/zinc/29/97/48/233299748.db2.gz WZPYWCYHFRBKIL-CUCMZFDFSA-N 1 0 290.363 2.701 20 5 CFBDRO CC[C@@H](CSC)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091098620 180096731 /nfs/dbraw/zinc/09/67/31/180096731.db2.gz CKUNPICEAVFMQV-JSGCOSHPSA-N 1 0 298.408 2.702 20 5 CFBDRO COCCCOCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000091101927 180097456 /nfs/dbraw/zinc/09/74/56/180097456.db2.gz PAUCEZITDFLGLG-CYBMUJFWSA-N 1 0 296.367 2.641 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC([NH3+])(CC)CC ZINC000414799788 233356164 /nfs/dbraw/zinc/35/61/64/233356164.db2.gz HGFDNDXZLHEGAZ-UHFFFAOYSA-N 1 0 295.383 2.601 20 5 CFBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598678432 350309558 /nfs/dbraw/zinc/30/95/58/350309558.db2.gz YBIQWMLHXYQHHZ-HNLSUCLVSA-N 1 0 290.363 2.558 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OCC ZINC000598989661 350354874 /nfs/dbraw/zinc/35/48/74/350354874.db2.gz PURTWACRJMRMNR-ZDUSSCGKSA-N 1 0 296.367 2.898 20 5 CFBDRO COc1ccc(C[NH2+]CC2CC=CC2)cc1[N+](=O)[O-] ZINC000598992400 350355467 /nfs/dbraw/zinc/35/54/67/350355467.db2.gz LXUNPPJZPDLZLO-UHFFFAOYSA-N 1 0 262.309 2.659 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000599000374 350357586 /nfs/dbraw/zinc/35/75/86/350357586.db2.gz SGJDLNFNVMGCEV-RZGXBDKHSA-N 1 0 282.315 2.635 20 5 CFBDRO COCC1(C)CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599077607 350371759 /nfs/dbraw/zinc/37/17/59/350371759.db2.gz GLXSPDAEZWSWJU-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1COC1 ZINC000599081533 350372634 /nfs/dbraw/zinc/37/26/34/350372634.db2.gz OIKNQZPGZZONBQ-DZGCQCFKSA-N 1 0 290.363 2.542 20 5 CFBDRO C[NH2+]C1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCC1 ZINC000599084264 350373492 /nfs/dbraw/zinc/37/34/92/350373492.db2.gz VSUJPKHDLHLBFZ-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599089822 350374389 /nfs/dbraw/zinc/37/43/89/350374389.db2.gz AYPQKVSMIFIREK-COPLHBTASA-N 1 0 264.325 2.670 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000599093670 350375402 /nfs/dbraw/zinc/37/54/02/350375402.db2.gz VERFDILKXXRVRS-DRZSPHRISA-N 1 0 294.351 2.822 20 5 CFBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599128304 350380793 /nfs/dbraw/zinc/38/07/93/350380793.db2.gz WDBVYWXTVXAABD-ZDUSSCGKSA-N 1 0 290.367 2.809 20 5 CFBDRO CC1(C)CCC(C)(C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599538842 350453193 /nfs/dbraw/zinc/45/31/93/350453193.db2.gz UMNXSTVSZZLXLF-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000599627238 350467127 /nfs/dbraw/zinc/46/71/27/350467127.db2.gz VOWAERDBZACVEO-OHTBPHCPSA-N 1 0 278.352 2.539 20 5 CFBDRO Cc1c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599627817 350467298 /nfs/dbraw/zinc/46/72/98/350467298.db2.gz ZPPAFSQPKFXLRW-LIBKGXAOSA-N 1 0 278.352 2.805 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680845 350481211 /nfs/dbraw/zinc/48/12/11/350481211.db2.gz HYRGEGCPGHWZIQ-CUOATXAZSA-N 1 0 296.754 2.593 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(C)COC1 ZINC000600192915 350536756 /nfs/dbraw/zinc/53/67/56/350536756.db2.gz ZUGGVMXCHZZUIQ-QPEQYQDCSA-N 1 0 290.363 2.966 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000107692496 186187193 /nfs/dbraw/zinc/18/71/93/186187193.db2.gz BPNCOFBMKOHOEY-ZDUSSCGKSA-N 1 0 278.352 2.762 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000600679295 350596237 /nfs/dbraw/zinc/59/62/37/350596237.db2.gz HKAFFTMQIBZSPH-UHFFFAOYSA-N 1 0 299.330 2.689 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000600679281 350596330 /nfs/dbraw/zinc/59/63/30/350596330.db2.gz GZCDOGCCHKXEDB-UHFFFAOYSA-N 1 0 299.330 2.689 20 5 CFBDRO CC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600711057 350599181 /nfs/dbraw/zinc/59/91/81/350599181.db2.gz QOMWAZCFYQBGTD-WHOFXGATSA-N 1 0 277.368 2.776 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000600712477 350600193 /nfs/dbraw/zinc/60/01/93/350600193.db2.gz XPUVWQZVBLIDJD-WCFLWFBJSA-N 1 0 277.368 2.694 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109811270 186275978 /nfs/dbraw/zinc/27/59/78/186275978.db2.gz SHBHEOWWYUFXMB-WFASDCNBSA-N 1 0 277.368 2.682 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000601229086 350703610 /nfs/dbraw/zinc/70/36/10/350703610.db2.gz FECGZCKEGJQCCG-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)CC2CCC2)c([N+](=O)[O-])cc1O ZINC000601154509 350683784 /nfs/dbraw/zinc/68/37/84/350683784.db2.gz MTNFLCWIOATSNM-SNVBAGLBSA-N 1 0 294.351 2.977 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)CC2CCC2)c([N+](=O)[O-])cc1O ZINC000601154508 350683874 /nfs/dbraw/zinc/68/38/74/350683874.db2.gz MTNFLCWIOATSNM-JTQLQIEISA-N 1 0 294.351 2.977 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601159504 350685117 /nfs/dbraw/zinc/68/51/17/350685117.db2.gz ITALXZFUWHAJCP-NXEZZACHSA-N 1 0 274.242 2.944 20 5 CFBDRO CCOc1cc(NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111052095 186348174 /nfs/dbraw/zinc/34/81/74/186348174.db2.gz BHGLKKWYMWZXCO-LBPRGKRZSA-N 1 0 293.367 2.795 20 5 CFBDRO CCC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601289340 350718012 /nfs/dbraw/zinc/71/80/12/350718012.db2.gz LLCSLZBSKYHIMS-LNSITVRQSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)CCCC2 ZINC000601291090 350718626 /nfs/dbraw/zinc/71/86/26/350718626.db2.gz GFFDXLRPDZAJGT-GHJWDPDVSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC000601320354 350723688 /nfs/dbraw/zinc/72/36/88/350723688.db2.gz FWIKIWCAMGSNJD-BXUZGUMPSA-N 1 0 286.335 2.977 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1O ZINC000601321664 350723710 /nfs/dbraw/zinc/72/37/10/350723710.db2.gz TVFSXQDSCMTPCV-BJJXKVORSA-N 1 0 292.379 2.809 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111298354 186392389 /nfs/dbraw/zinc/39/23/89/186392389.db2.gz LTDRCMRVOMQSQS-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO C[C@@H]([NH2+]C1CC(n2cccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602519137 350913089 /nfs/dbraw/zinc/91/30/89/350913089.db2.gz WHXWQYGBBNSKGV-NUYPLMSZSA-N 1 0 286.335 2.846 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000602557891 350923666 /nfs/dbraw/zinc/92/36/66/350923666.db2.gz MGSCRWSRXSMBAY-KOLCDFICSA-N 1 0 270.279 2.771 20 5 CFBDRO CC[C@@](C)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602579893 350932805 /nfs/dbraw/zinc/93/28/05/350932805.db2.gz JNJFIVVOUIRFQL-AWEZNQCLSA-N 1 0 266.341 2.542 20 5 CFBDRO CO[C@](C)(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602659535 350964595 /nfs/dbraw/zinc/96/45/95/350964595.db2.gz SEBRMGVLTGHIAM-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO CC(C)([NH2+]CCC[C@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000602674556 350972703 /nfs/dbraw/zinc/97/27/03/350972703.db2.gz VYEBVRDQRLGPBN-LBPRGKRZSA-N 1 0 278.352 2.989 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)nc2c1 ZINC000602682903 350976566 /nfs/dbraw/zinc/97/65/66/350976566.db2.gz TZSLIBFHEYFYQP-JQWIXIFHSA-N 1 0 287.319 2.872 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CS1 ZINC000602690037 350980255 /nfs/dbraw/zinc/98/02/55/350980255.db2.gz JNTLNUDBUAIEHS-DTWKUNHWSA-N 1 0 293.348 2.720 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000602690813 350981859 /nfs/dbraw/zinc/98/18/59/350981859.db2.gz PILKCDYUYWGLOU-MBNYWOFBSA-N 1 0 278.352 2.540 20 5 CFBDRO CC[C@H](COCC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602706194 350990388 /nfs/dbraw/zinc/99/03/88/350990388.db2.gz IWANBTMWPZXXLL-OAHLLOKOSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OCC ZINC000602719873 350998586 /nfs/dbraw/zinc/99/85/86/350998586.db2.gz BPDKEMZZLJFVIO-OAHLLOKOSA-N 1 0 280.368 2.932 20 5 CFBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000602612097 350946279 /nfs/dbraw/zinc/94/62/79/350946279.db2.gz GJOMCVGHRFPHAX-NSHDSACASA-N 1 0 291.376 2.987 20 5 CFBDRO CCC(O)(CC)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602630150 350952510 /nfs/dbraw/zinc/95/25/10/350952510.db2.gz LCDHXBHGLRICAG-UHFFFAOYSA-N 1 0 280.368 2.668 20 5 CFBDRO CSC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602638465 350957514 /nfs/dbraw/zinc/95/75/14/350957514.db2.gz DIYHRIDDDZAOLH-UHFFFAOYSA-N 1 0 293.348 2.721 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000602764812 351016796 /nfs/dbraw/zinc/01/67/96/351016796.db2.gz YLUSCIOKEGWFGK-WCQYABFASA-N 1 0 280.372 2.610 20 5 CFBDRO CC[C@H](C)[C@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771248 351019482 /nfs/dbraw/zinc/01/94/82/351019482.db2.gz AUTBTXDSIDNZTP-RYUDHWBXSA-N 1 0 294.399 2.999 20 5 CFBDRO C[C@@H]1OCC[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602796987 351028932 /nfs/dbraw/zinc/02/89/32/351028932.db2.gz LFXPEYNVNIIUPC-QWHCGFSZSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@H]1OCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796780 351029488 /nfs/dbraw/zinc/02/94/88/351029488.db2.gz FTFNBHHPAYFPST-TZMCWYRMSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000602808711 351033537 /nfs/dbraw/zinc/03/35/37/351033537.db2.gz YXCUGTPNCGBZBY-UBHSHLNASA-N 1 0 292.383 2.610 20 5 CFBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807482 351033925 /nfs/dbraw/zinc/03/39/25/351033925.db2.gz AYEZXNBYFYBLIR-WCQYABFASA-N 1 0 280.372 2.777 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000602839313 351041577 /nfs/dbraw/zinc/04/15/77/351041577.db2.gz YDBGBWNBQCFBKQ-CYBMUJFWSA-N 1 0 294.399 2.858 20 5 CFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602881285 351056052 /nfs/dbraw/zinc/05/60/52/351056052.db2.gz GBQYRQXZPGSWEQ-UHFFFAOYSA-N 1 0 293.348 2.562 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ncccn2)cc1 ZINC000602895303 351059261 /nfs/dbraw/zinc/05/92/61/351059261.db2.gz BOEWVBNDDLKAFC-CQSZACIVSA-N 1 0 284.319 2.722 20 5 CFBDRO C[C@@](CO)([NH2+][C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965913 351073185 /nfs/dbraw/zinc/07/31/85/351073185.db2.gz RBCFIJUKCJNVLC-ZFWWWQNUSA-N 1 0 276.336 2.501 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C3CCC3)CC2)n1 ZINC000602999347 351089555 /nfs/dbraw/zinc/08/95/55/351089555.db2.gz FDAVUNQWULSBDL-CQSZACIVSA-N 1 0 292.383 2.694 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000603406084 351158455 /nfs/dbraw/zinc/15/84/55/351158455.db2.gz FFLMFVLAVFSXFE-CHWSQXEVSA-N 1 0 267.304 2.629 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC(C)C ZINC000603425192 351161732 /nfs/dbraw/zinc/16/17/32/351161732.db2.gz RQJVACFKJSDWON-ODDCISTRSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000603433435 351163932 /nfs/dbraw/zinc/16/39/32/351163932.db2.gz NJTSMIZPZBSKBV-LALPHHSUSA-N 1 0 277.368 2.543 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000603431819 351164165 /nfs/dbraw/zinc/16/41/65/351164165.db2.gz HEYPURYRBGEDNO-WOPDTQHZSA-N 1 0 295.358 2.682 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604323390 351207135 /nfs/dbraw/zinc/20/71/35/351207135.db2.gz LPFUPDICHJETPU-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291377550 198005071 /nfs/dbraw/zinc/00/50/71/198005071.db2.gz ZYSMKTWWCIZFCE-CQSZACIVSA-N 1 0 278.352 2.903 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000609384277 351500481 /nfs/dbraw/zinc/50/04/81/351500481.db2.gz CNCVCCLHCNYDCX-NSHDSACASA-N 1 0 279.315 2.630 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000609540556 351505968 /nfs/dbraw/zinc/50/59/68/351505968.db2.gz BIGYXGNFARCOAQ-GFCCVEGCSA-N 1 0 266.341 2.952 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000609133699 351486624 /nfs/dbraw/zinc/48/66/24/351486624.db2.gz VJORXTMCOJQVQY-HNNXBMFYSA-N 1 0 276.336 2.848 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000609133570 351486675 /nfs/dbraw/zinc/48/66/75/351486675.db2.gz JMMVRUIURGEZPA-HNNXBMFYSA-N 1 0 276.336 2.848 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610133406 351535650 /nfs/dbraw/zinc/53/56/50/351535650.db2.gz MVEPLCGEVPQKPF-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC000610476253 351569101 /nfs/dbraw/zinc/56/91/01/351569101.db2.gz QJELOVZJHRBFJR-LLVKDONJSA-N 1 0 294.326 2.735 20 5 CFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119961852 186865800 /nfs/dbraw/zinc/86/58/00/186865800.db2.gz DHQILTJENQVSNL-SDDRHHMPSA-N 1 0 293.367 2.549 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000610755096 351603975 /nfs/dbraw/zinc/60/39/75/351603975.db2.gz DUFRLSOZQCQXRK-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000610341304 351555999 /nfs/dbraw/zinc/55/59/99/351555999.db2.gz RDVWXQUGRBEGNG-LBPRGKRZSA-N 1 0 288.351 2.612 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108222 351641241 /nfs/dbraw/zinc/64/12/41/351641241.db2.gz IHBWHINXTRXYBF-AWEZNQCLSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000611411726 351685134 /nfs/dbraw/zinc/68/51/34/351685134.db2.gz WMUBORYFYRCBRU-UWVGGRQHSA-N 1 0 267.354 2.695 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611413078 351686159 /nfs/dbraw/zinc/68/61/59/351686159.db2.gz SWQNMSRCAPKETH-SNVBAGLBSA-N 1 0 267.354 2.553 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000611413064 351686252 /nfs/dbraw/zinc/68/62/52/351686252.db2.gz SKFUCRZIVSJFQC-LLVKDONJSA-N 1 0 281.381 2.721 20 5 CFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000611433813 351689241 /nfs/dbraw/zinc/68/92/41/351689241.db2.gz XAKRBTGLCPXEIW-CYBMUJFWSA-N 1 0 280.372 2.740 20 5 CFBDRO CCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611516452 351702787 /nfs/dbraw/zinc/70/27/87/351702787.db2.gz HQHBMUFCBDQCBW-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000611520945 351703512 /nfs/dbraw/zinc/70/35/12/351703512.db2.gz FOUIKGCNASAEST-JTQLQIEISA-N 1 0 274.324 2.520 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337489 351669932 /nfs/dbraw/zinc/66/99/32/351669932.db2.gz SXESCBDQSCSLQL-UKRRQHHQSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000611337218 351670216 /nfs/dbraw/zinc/67/02/16/351670216.db2.gz KPEKQODQIABTEV-OBJOEFQTSA-N 1 0 278.352 2.857 20 5 CFBDRO C[NH+]1CCC(C)(CNc2sccc2[N+](=O)[O-])CC1 ZINC000611539889 351706020 /nfs/dbraw/zinc/70/60/20/351706020.db2.gz QJNFNUUIQTTZOA-UHFFFAOYSA-N 1 0 269.370 2.800 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000611616495 351714514 /nfs/dbraw/zinc/71/45/14/351714514.db2.gz UEPGOZJQHMUORL-CYBMUJFWSA-N 1 0 290.367 2.503 20 5 CFBDRO CC(C)([NH2+]Cc1cc[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000291751066 198080533 /nfs/dbraw/zinc/08/05/33/198080533.db2.gz QGROXPWUQZIEDI-UHFFFAOYSA-N 1 0 259.309 2.948 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C1CC1 ZINC000122778954 187050741 /nfs/dbraw/zinc/05/07/41/187050741.db2.gz RHGNEKBPTYASOK-GHMZBOCLSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@H](CC1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123320821 187084683 /nfs/dbraw/zinc/08/46/83/187084683.db2.gz ARGVQXVNQIPCEB-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000123332176 187085519 /nfs/dbraw/zinc/08/55/19/187085519.db2.gz CLGMEPUJPTVQCY-VXGBXAGGSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000123474442 187094283 /nfs/dbraw/zinc/09/42/83/187094283.db2.gz FITCYUPOTURHAX-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123644365 187102231 /nfs/dbraw/zinc/10/22/31/187102231.db2.gz CNASNPKRHUDGTP-PWSUYJOCSA-N 1 0 283.397 2.571 20 5 CFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123784178 187108195 /nfs/dbraw/zinc/10/81/95/187108195.db2.gz GLYZMCGFTYGFDK-XJKSGUPXSA-N 1 0 292.379 2.763 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123806967 187109723 /nfs/dbraw/zinc/10/97/23/187109723.db2.gz AVGOURUPFDPWLP-TZMCWYRMSA-N 1 0 277.368 2.509 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)ncn1 ZINC000615726131 352236094 /nfs/dbraw/zinc/23/60/94/352236094.db2.gz YRNMHSQGIYKFJI-SDQBBNPISA-N 1 0 298.346 2.886 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000271473430 191158918 /nfs/dbraw/zinc/15/89/18/191158918.db2.gz IRJFPBSTURIHTI-NWDGAFQWSA-N 1 0 288.351 2.990 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C[NH+](C)C ZINC000292005799 198132924 /nfs/dbraw/zinc/13/29/24/198132924.db2.gz YZOIIFCJQFIOMC-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO CC(C)OC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292043674 198143432 /nfs/dbraw/zinc/14/34/32/198143432.db2.gz ASRMMUNKKZMYNW-UHFFFAOYSA-N 1 0 294.351 2.761 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000271508442 191182529 /nfs/dbraw/zinc/18/25/29/191182529.db2.gz OJQCAKVRFMEMRZ-NSHDSACASA-N 1 0 288.351 2.737 20 5 CFBDRO CC[C@]1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135734091 187851064 /nfs/dbraw/zinc/85/10/64/187851064.db2.gz MATFJLJBYZPGNC-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000618579302 352818087 /nfs/dbraw/zinc/81/80/87/352818087.db2.gz LTKUKTCXJDMFGL-IJEWVQPXSA-N 1 0 290.363 2.683 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000619427230 353021540 /nfs/dbraw/zinc/02/15/40/353021540.db2.gz JDBFQWBROOPTFO-UONOGXRCSA-N 1 0 278.352 2.685 20 5 CFBDRO CCOc1ccc([C@@H](C)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000152544483 188027221 /nfs/dbraw/zinc/02/72/21/188027221.db2.gz MOCNAKIPWMMELH-GFCCVEGCSA-N 1 0 295.383 2.596 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153088817 188064289 /nfs/dbraw/zinc/06/42/89/188064289.db2.gz VMLHCUVHAGMSPS-JQWIXIFHSA-N 1 0 298.770 2.984 20 5 CFBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358252 198257318 /nfs/dbraw/zinc/25/73/18/198257318.db2.gz FQDLOXVZKKOANF-HUUCEWRRSA-N 1 0 292.379 2.995 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000154213207 188129449 /nfs/dbraw/zinc/12/94/49/188129449.db2.gz GCSZFMRGRXBYME-NWDGAFQWSA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000154446911 188143180 /nfs/dbraw/zinc/14/31/80/188143180.db2.gz JZORIESKYFOKEV-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154536547 188149219 /nfs/dbraw/zinc/14/92/19/188149219.db2.gz ADKSFLGKJMFKPG-FZMZJTMJSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[NH+](CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000156906275 188286695 /nfs/dbraw/zinc/28/66/95/188286695.db2.gz BAKFRIJRBAHNPF-UHFFFAOYSA-N 1 0 288.351 2.837 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000292553300 198329447 /nfs/dbraw/zinc/32/94/47/198329447.db2.gz AMDNOPIUKCAVBS-OAHLLOKOSA-N 1 0 290.363 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000292553294 198330073 /nfs/dbraw/zinc/33/00/73/198330073.db2.gz AMDNOPIUKCAVBS-HNNXBMFYSA-N 1 0 290.363 2.517 20 5 CFBDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000157718750 188334234 /nfs/dbraw/zinc/33/42/34/188334234.db2.gz LDJNVMLQLMARRG-LLVKDONJSA-N 1 0 288.351 2.796 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158242730 188365499 /nfs/dbraw/zinc/36/54/99/188365499.db2.gz LISKRJJWFDTASO-UHFFFAOYSA-N 1 0 290.363 2.782 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158262504 188366685 /nfs/dbraw/zinc/36/66/85/188366685.db2.gz DQKSTWXPUDTXIY-GFCCVEGCSA-N 1 0 266.341 2.980 20 5 CFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292931547 198466636 /nfs/dbraw/zinc/46/66/36/198466636.db2.gz GXXZPUZZLKFYQN-CUGVZAEZSA-N 1 0 290.363 2.749 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171689348 188753020 /nfs/dbraw/zinc/75/30/20/188753020.db2.gz ZONFVGFXOMDRDS-UHFFFAOYSA-N 1 0 277.368 2.557 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375235844 283078946 /nfs/dbraw/zinc/07/89/46/283078946.db2.gz WYSZUHNUPXRYSY-QMTHXVAHSA-N 1 0 295.770 2.779 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000173392938 188852779 /nfs/dbraw/zinc/85/27/79/188852779.db2.gz OOUBJYBNERESBF-NEPJUHHUSA-N 1 0 277.368 2.728 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106429 283099974 /nfs/dbraw/zinc/09/99/74/283099974.db2.gz VFTYPKFVICRPGH-BXUZGUMPSA-N 1 0 293.342 2.654 20 5 CFBDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295981984 199743660 /nfs/dbraw/zinc/74/36/60/199743660.db2.gz JPHWVIMBZLTOOW-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO C[C@@H]([NH2+]CC1CCSCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293915846 198825167 /nfs/dbraw/zinc/82/51/67/198825167.db2.gz XBFGHBLDXQLCHF-SNVBAGLBSA-N 1 0 295.408 2.971 20 5 CFBDRO CC(C)(CO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294688130 199135380 /nfs/dbraw/zinc/13/53/80/199135380.db2.gz CEGHEXDFVYZWFD-UHFFFAOYSA-N 1 0 286.759 2.746 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294756188 199168115 /nfs/dbraw/zinc/16/81/15/199168115.db2.gz IQGRLYBAEROPGM-LBPRGKRZSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000294941420 199261889 /nfs/dbraw/zinc/26/18/89/199261889.db2.gz BSQPHGDTHRVBMR-MJHDQNEOSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296498136 199912202 /nfs/dbraw/zinc/91/22/02/199912202.db2.gz OZCCSAWHQIKLNJ-MLGOLLRUSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296861390 200018301 /nfs/dbraw/zinc/01/83/01/200018301.db2.gz YWVHXJWOLUDIAA-MJVIPROJSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCOCC2CC2)cc1[N+](=O)[O-] ZINC000178009285 189084832 /nfs/dbraw/zinc/08/48/32/189084832.db2.gz GWLRAHGXWVWKGR-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000178149404 189093171 /nfs/dbraw/zinc/09/31/71/189093171.db2.gz BKRHNYCWNVFSMO-LBPRGKRZSA-N 1 0 290.323 2.606 20 5 CFBDRO C[C@H]([NH2+]CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000178160401 189093894 /nfs/dbraw/zinc/09/38/94/189093894.db2.gz SPBHPAOVNIZDOJ-NSHDSACASA-N 1 0 262.309 2.592 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000178568629 189127554 /nfs/dbraw/zinc/12/75/54/189127554.db2.gz HHYVGBNWPJDUAE-AWEZNQCLSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653223 189134758 /nfs/dbraw/zinc/13/47/58/189134758.db2.gz IHXGQKNHMGTAGA-LBPRGKRZSA-N 1 0 288.351 2.612 20 5 CFBDRO COCCC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000178734240 189141775 /nfs/dbraw/zinc/14/17/75/189141775.db2.gz FUMUPWZKADJVHC-GFCCVEGCSA-N 1 0 266.341 2.542 20 5 CFBDRO CC1(C)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178860105 189150755 /nfs/dbraw/zinc/15/07/55/189150755.db2.gz ZMLIJPBPRBPVAZ-ZDUSSCGKSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](N[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423219057 238285387 /nfs/dbraw/zinc/28/53/87/238285387.db2.gz VTDHJDRNVWHFDS-RDJZCZTQSA-N 1 0 297.358 2.636 20 5 CFBDRO Cc1ccc(CN2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000179833392 189222927 /nfs/dbraw/zinc/22/29/27/189222927.db2.gz RUGRXZCYXOIJJQ-UHFFFAOYSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423278883 238338411 /nfs/dbraw/zinc/33/84/11/238338411.db2.gz RHFJUZNWMDAHLJ-DGCLKSJQSA-N 1 0 265.357 2.537 20 5 CFBDRO CC[C@@H]([NH2+]CCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000180485133 189257866 /nfs/dbraw/zinc/25/78/66/189257866.db2.gz MWBIYDUNUYKTDL-CYBMUJFWSA-N 1 0 290.323 2.570 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000301458911 201016709 /nfs/dbraw/zinc/01/67/09/201016709.db2.gz ZNPRPMDWJHMGOH-DGCLKSJQSA-N 1 0 295.358 2.900 20 5 CFBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662017 201123163 /nfs/dbraw/zinc/12/31/63/201123163.db2.gz UVMOJBRJBXWGKL-VXGBXAGGSA-N 1 0 292.383 2.831 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183388596 189357506 /nfs/dbraw/zinc/35/75/06/189357506.db2.gz KJHLBMUFCIJFEZ-CYBMUJFWSA-N 1 0 278.352 2.762 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCSC2)c(Cl)c1 ZINC000183818534 189368616 /nfs/dbraw/zinc/36/86/16/189368616.db2.gz SRSOWILEKHDRDN-VIFPVBQESA-N 1 0 272.757 2.843 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000183629127 189364809 /nfs/dbraw/zinc/36/48/09/189364809.db2.gz LUZSSXQXTHUUMQ-ZDUSSCGKSA-N 1 0 278.352 2.950 20 5 CFBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000301941090 201270820 /nfs/dbraw/zinc/27/08/20/201270820.db2.gz VMYWKFIPCVOQCR-JTQLQIEISA-N 1 0 281.337 2.964 20 5 CFBDRO C[C@H](CNc1sccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000301973733 201282854 /nfs/dbraw/zinc/28/28/54/201282854.db2.gz AHABPYJCRDKNIO-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000301993063 201290580 /nfs/dbraw/zinc/29/05/80/201290580.db2.gz GPXQLPWRGBOBEH-GFCCVEGCSA-N 1 0 295.408 2.969 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000302013164 201299166 /nfs/dbraw/zinc/29/91/66/201299166.db2.gz ZVCWSGGZCOQLKB-VIFPVBQESA-N 1 0 255.343 2.553 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000302039796 201314215 /nfs/dbraw/zinc/31/42/15/201314215.db2.gz VZZALARMBNUXAG-UWVGGRQHSA-N 1 0 269.370 2.941 20 5 CFBDRO COc1cc(NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302144938 201365647 /nfs/dbraw/zinc/36/56/47/201365647.db2.gz IWMHLIWHGNLZTH-UHFFFAOYSA-N 1 0 291.351 2.667 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426461162 239225424 /nfs/dbraw/zinc/22/54/24/239225424.db2.gz PJAKPOIAVIBFCB-CHWSQXEVSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1cc(NCC2(C[NH+](C)C)CCCC2)ncc1[N+](=O)[O-] ZINC000302161718 201373947 /nfs/dbraw/zinc/37/39/47/201373947.db2.gz PQJATTHARCOSPK-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C ZINC000330391783 202769931 /nfs/dbraw/zinc/76/99/31/202769931.db2.gz ABEBFTPPSSSVNQ-MFKMUULPSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1cccc(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000275403100 193023666 /nfs/dbraw/zinc/02/36/66/193023666.db2.gz FFIQGKGKNQKKNO-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO CC(C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275465866 193049058 /nfs/dbraw/zinc/04/90/58/193049058.db2.gz KUFRLBQBISTENS-UHFFFAOYSA-N 1 0 297.330 2.650 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000439300682 240761500 /nfs/dbraw/zinc/76/15/00/240761500.db2.gz YTAQVPSTIGCTPI-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)CCCO)cc1[N+](=O)[O-] ZINC000442968426 241025665 /nfs/dbraw/zinc/02/56/65/241025665.db2.gz WWEDHHHULBAOAW-UHFFFAOYSA-N 1 0 266.341 2.532 20 5 CFBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447596439 241391566 /nfs/dbraw/zinc/39/15/66/241391566.db2.gz BZEOXROCCYAMQY-ZIBATOQPSA-N 1 0 278.352 2.721 20 5 CFBDRO C[C@]1(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]C1 ZINC000262130282 291378591 /nfs/dbraw/zinc/37/85/91/291378591.db2.gz YAVLMTQJBAQZMU-INIZCTEOSA-N 1 0 289.379 2.559 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154812 241731173 /nfs/dbraw/zinc/73/11/73/241731173.db2.gz OLZVRBSVRFRKQA-SWLSCSKDSA-N 1 0 280.368 2.522 20 5 CFBDRO CCC[C@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423182195 283936385 /nfs/dbraw/zinc/93/63/85/283936385.db2.gz GNGMMBPSPWIHJD-HIFRSBDPSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C ZINC000449194161 241758319 /nfs/dbraw/zinc/75/83/19/241758319.db2.gz OQKSDCAHZDAHHV-BZPMIXESSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC(C)(F)C1 ZINC000449376759 241883024 /nfs/dbraw/zinc/88/30/24/241883024.db2.gz PBCUJORSPRRAQU-UHFFFAOYSA-N 1 0 252.289 2.883 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449544467 242017258 /nfs/dbraw/zinc/01/72/58/242017258.db2.gz QQFIXAKBINTEQM-DYEKYZERSA-N 1 0 280.368 2.665 20 5 CFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c([N+](=O)[O-])cc1O ZINC000449552433 242024444 /nfs/dbraw/zinc/02/44/44/242024444.db2.gz JKDLMPPDRWHAFR-JQWIXIFHSA-N 1 0 294.351 2.691 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449679244 242104131 /nfs/dbraw/zinc/10/41/31/242104131.db2.gz HOJBGQXRPSIQFN-INIZCTEOSA-N 1 0 290.363 2.906 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCOC1 ZINC000449690394 242111362 /nfs/dbraw/zinc/11/13/62/242111362.db2.gz PEEAFMLPGRWVKE-KBPBESRZSA-N 1 0 292.379 2.932 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)[C@H](O)CC ZINC000449637288 242086419 /nfs/dbraw/zinc/08/64/19/242086419.db2.gz GGHYHLRYOYRMHI-ZIAGYGMSSA-N 1 0 296.367 2.633 20 5 CFBDRO Cc1ccc(CNc2ccc3c([nH+]2)CCC3)cc1[N+](=O)[O-] ZINC000449671039 242099239 /nfs/dbraw/zinc/09/92/39/242099239.db2.gz YWJLLKKJIJVSJJ-UHFFFAOYSA-N 1 0 283.331 2.821 20 5 CFBDRO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449789443 242168836 /nfs/dbraw/zinc/16/88/36/242168836.db2.gz ZSROPLUIIWXXHB-HNNXBMFYSA-N 1 0 291.395 2.818 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302851147 201576798 /nfs/dbraw/zinc/57/67/98/201576798.db2.gz PXFKZXCRQLHCKC-LLVKDONJSA-N 1 0 292.383 2.705 20 5 CFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000456198706 244100536 /nfs/dbraw/zinc/10/05/36/244100536.db2.gz KADIUYCUTUTVLL-UHFFFAOYSA-N 1 0 299.396 2.507 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863673 203328913 /nfs/dbraw/zinc/32/89/13/203328913.db2.gz TXLOMKJWRBFWGQ-AAEUAGOBSA-N 1 0 296.342 2.717 20 5 CFBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000459687152 245272823 /nfs/dbraw/zinc/27/28/23/245272823.db2.gz CGOLTEDRWMDNOG-AWEZNQCLSA-N 1 0 298.342 2.860 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459791228 245328209 /nfs/dbraw/zinc/32/82/09/245328209.db2.gz SUYAHSCMEDYSET-SWHYSGLUSA-N 1 0 276.336 2.882 20 5 CFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000232893694 189818810 /nfs/dbraw/zinc/81/88/10/189818810.db2.gz QYGDJNJVPXNIPC-LLVKDONJSA-N 1 0 298.774 2.833 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000459796811 245332974 /nfs/dbraw/zinc/33/29/74/245332974.db2.gz WIZIGJKMFCKPQG-LSDHHAIUSA-N 1 0 290.363 2.950 20 5 CFBDRO [NH3+]CCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000011886765 371933543 /nfs/dbraw/zinc/93/35/43/371933543.db2.gz KGCBTYPTUCJBBU-UHFFFAOYSA-N 1 0 263.322 2.610 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000016442843 372106847 /nfs/dbraw/zinc/10/68/47/372106847.db2.gz JTTKIVJOKIUAPS-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1ccccc1[N+](=O)[O-] ZINC000020047893 372223619 /nfs/dbraw/zinc/22/36/19/372223619.db2.gz POZCYILBRJUEDT-AWEZNQCLSA-N 1 0 291.395 2.949 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020089311 372227233 /nfs/dbraw/zinc/22/72/33/372227233.db2.gz QHMXEKRTJGLHSY-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO CN(C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000020122411 372234285 /nfs/dbraw/zinc/23/42/85/372234285.db2.gz WBDRAICIYZWQOV-CQSZACIVSA-N 1 0 289.335 2.580 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCCCC1 ZINC000028285378 372364321 /nfs/dbraw/zinc/36/43/21/372364321.db2.gz UFAGCCLFZQNLKN-UHFFFAOYSA-N 1 0 250.298 2.589 20 5 CFBDRO CCOCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036228841 372568560 /nfs/dbraw/zinc/56/85/60/372568560.db2.gz DYZPHRAKNJXFEG-ZDUSSCGKSA-N 1 0 252.314 2.672 20 5 CFBDRO CC[C@@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010474 372627740 /nfs/dbraw/zinc/62/77/40/372627740.db2.gz OBFSDLJOPVXFHT-CQSZACIVSA-N 1 0 265.357 2.587 20 5 CFBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000037754770 372698273 /nfs/dbraw/zinc/69/82/73/372698273.db2.gz RFOZHUIFWDMTSM-UHFFFAOYSA-N 1 0 277.246 2.764 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000037647731 372680995 /nfs/dbraw/zinc/68/09/95/372680995.db2.gz MIZRVSXWVCVUAH-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000037893417 372731953 /nfs/dbraw/zinc/73/19/53/372731953.db2.gz DOIQKTOMQSXHDC-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000037775564 372705371 /nfs/dbraw/zinc/70/53/71/372705371.db2.gz XIOFQMLENAZKIA-JZIBPQBNSA-N 1 0 289.379 2.871 20 5 CFBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775714 372705415 /nfs/dbraw/zinc/70/54/15/372705415.db2.gz FTTYLKIONMEFGF-JTQLQIEISA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1cccc(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000041152990 372821297 /nfs/dbraw/zinc/82/12/97/372821297.db2.gz ZVRQSVSYIOQRBO-UHFFFAOYSA-N 1 0 288.307 2.681 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045657029 373025067 /nfs/dbraw/zinc/02/50/67/373025067.db2.gz ILPUPYHFXRMXLU-JQWIXIFHSA-N 1 0 266.341 2.836 20 5 CFBDRO C[C@@H]([NH2+]CCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000045105681 373015131 /nfs/dbraw/zinc/01/51/31/373015131.db2.gz HJDFPUQHOOEOGK-CYBMUJFWSA-N 1 0 288.351 2.922 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c(Cl)c1 ZINC000048322170 373161011 /nfs/dbraw/zinc/16/10/11/373161011.db2.gz DVAJLUGQSXTZHO-UHFFFAOYSA-N 1 0 269.732 2.756 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000047873372 373124586 /nfs/dbraw/zinc/12/45/86/373124586.db2.gz UYYRKZDRMUBQGK-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])nc2)([NH+](C)C)C1 ZINC000048553459 373198653 /nfs/dbraw/zinc/19/86/53/373198653.db2.gz XNASTAXCEIBPNG-DOMZBBRYSA-N 1 0 292.383 2.912 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000048947799 373235260 /nfs/dbraw/zinc/23/52/60/373235260.db2.gz LYKUMFFCOGSXRQ-NSHDSACASA-N 1 0 284.743 2.859 20 5 CFBDRO Cc1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000049558733 373310707 /nfs/dbraw/zinc/31/07/07/373310707.db2.gz AXELODMEXMAHRO-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCO2)c(Cl)c1 ZINC000049963737 373338006 /nfs/dbraw/zinc/33/80/06/373338006.db2.gz CSXJMBWCBTVVGC-GFCCVEGCSA-N 1 0 284.743 2.907 20 5 CFBDRO C[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000050352065 373369496 /nfs/dbraw/zinc/36/94/96/373369496.db2.gz NFORTVXYQKZGHH-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC000051554890 373397978 /nfs/dbraw/zinc/39/79/78/373397978.db2.gz DFRRGGIGFOQJLD-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000052103087 373436934 /nfs/dbraw/zinc/43/69/34/373436934.db2.gz MBXZJSRARZSSED-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[N@H+](C)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054128097 373500308 /nfs/dbraw/zinc/50/03/08/373500308.db2.gz IENKAIAQVNSPKS-UHFFFAOYSA-N 1 0 257.721 2.612 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000054128045 373500607 /nfs/dbraw/zinc/50/06/07/373500607.db2.gz XGIUQWFBRNJYRR-UHFFFAOYSA-N 1 0 291.273 2.977 20 5 CFBDRO CCC[NH+](CCC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351237 373759280 /nfs/dbraw/zinc/75/92/80/373759280.db2.gz RJPTWFHLBUYGQS-CQSZACIVSA-N 1 0 266.341 2.750 20 5 CFBDRO C[C@@H]([NH2+]CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000063133615 373786821 /nfs/dbraw/zinc/78/68/21/373786821.db2.gz BNFQYWKKOFMDTH-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO Cc1c(CN2CCCC[C@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063196033 373795236 /nfs/dbraw/zinc/79/52/36/373795236.db2.gz HOAXCUVNBDHESY-DOMZBBRYSA-N 1 0 277.368 2.605 20 5 CFBDRO CC(C)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000065960990 373906006 /nfs/dbraw/zinc/90/60/06/373906006.db2.gz QZKFSGHOEOUHJW-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C[NH3+] ZINC000070178000 374142205 /nfs/dbraw/zinc/14/22/05/374142205.db2.gz YWPROUZMSGZOIG-IINYFYTJSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000071950781 374232611 /nfs/dbraw/zinc/23/26/11/374232611.db2.gz ZYVMTPFDNXVUEC-NSHDSACASA-N 1 0 264.325 2.704 20 5 CFBDRO CCC[NH+](CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072939142 374304400 /nfs/dbraw/zinc/30/44/00/374304400.db2.gz WSEIXFNXKCUSLZ-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072977297 374310439 /nfs/dbraw/zinc/31/04/39/374310439.db2.gz CERINEWQGYHQRC-CYBMUJFWSA-N 1 0 278.352 2.843 20 5 CFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000075842340 374509438 /nfs/dbraw/zinc/50/94/38/374509438.db2.gz LCWYLSIPWZOSKJ-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076054845 374525060 /nfs/dbraw/zinc/52/50/60/374525060.db2.gz MXDZHWOVRAVBEY-INIZCTEOSA-N 1 0 291.395 2.553 20 5 CFBDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000080524062 374658186 /nfs/dbraw/zinc/65/81/86/374658186.db2.gz KXPDGLLQEFCWEY-CYBMUJFWSA-N 1 0 280.368 2.792 20 5 CFBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000090529857 375020014 /nfs/dbraw/zinc/02/00/14/375020014.db2.gz RNJKZTJRXFOWBK-PWSUYJOCSA-N 1 0 288.351 2.908 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000090794597 375027884 /nfs/dbraw/zinc/02/78/84/375027884.db2.gz IJZYOQDKRQQYQZ-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO CCOc1cc(NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000092649556 375135803 /nfs/dbraw/zinc/13/58/03/375135803.db2.gz IRSQNKBYHNVSFC-NSHDSACASA-N 1 0 293.367 2.888 20 5 CFBDRO CCc1nn(C)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092856102 375166047 /nfs/dbraw/zinc/16/60/47/375166047.db2.gz INXPYKKLIOIREQ-LLVKDONJSA-N 1 0 288.351 2.742 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093453045 375243763 /nfs/dbraw/zinc/24/37/63/375243763.db2.gz DFIPQBYLHAEDFU-SOUVJXGZSA-N 1 0 289.379 2.605 20 5 CFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093482248 375252062 /nfs/dbraw/zinc/25/20/62/375252062.db2.gz DXZQQGMGIGUSPR-ZDSVCRJJSA-N 1 0 290.363 2.843 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000093232545 375198232 /nfs/dbraw/zinc/19/82/32/375198232.db2.gz IMZMRMJAPNNUHV-CHWSQXEVSA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000494250623 246761080 /nfs/dbraw/zinc/76/10/80/246761080.db2.gz KCQUKKVUXUIEEX-IUODEOHRSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000094369107 375356807 /nfs/dbraw/zinc/35/68/07/375356807.db2.gz GEJYQRYVMVSEBV-AWEZNQCLSA-N 1 0 290.363 2.829 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCC2)c1 ZINC000094659659 375373631 /nfs/dbraw/zinc/37/36/31/375373631.db2.gz GEGVYFJZTXAXFW-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCSC1 ZINC000094774273 375377792 /nfs/dbraw/zinc/37/77/92/375377792.db2.gz SEVXEUQEWXITQS-SNVBAGLBSA-N 1 0 270.329 2.671 20 5 CFBDRO CC(C)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774766 375378136 /nfs/dbraw/zinc/37/81/36/375378136.db2.gz GBJISWXUOMUCED-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797562 375379319 /nfs/dbraw/zinc/37/93/19/375379319.db2.gz NJAQPFHQDLIDPU-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)c1 ZINC000096470712 375487611 /nfs/dbraw/zinc/48/76/11/375487611.db2.gz GWTOEYJZIFRDSW-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO COc1cc(NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000097635436 375574874 /nfs/dbraw/zinc/57/48/74/375574874.db2.gz LXCSUSHYBUUUJT-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000102766762 375690736 /nfs/dbraw/zinc/69/07/36/375690736.db2.gz HZFJIMPZLXXITD-UHFFFAOYSA-N 1 0 280.372 2.914 20 5 CFBDRO CC(C)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119264277 376381369 /nfs/dbraw/zinc/38/13/69/376381369.db2.gz FTJSMEQEIRITSG-CYBMUJFWSA-N 1 0 280.372 2.549 20 5 CFBDRO CC(C)CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000119640890 376446165 /nfs/dbraw/zinc/44/61/65/376446165.db2.gz QPIGKKNUQPHWJO-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO CC(C)CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120185076 376563931 /nfs/dbraw/zinc/56/39/31/376563931.db2.gz HRTBKWHVPJJGNS-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO CN(CCC1CCOCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000120439815 376614951 /nfs/dbraw/zinc/61/49/51/376614951.db2.gz CKFIUWMTFVQMEV-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO CC(C)CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000124915023 377101943 /nfs/dbraw/zinc/10/19/43/377101943.db2.gz ZVMNRGHQGURVNX-UHFFFAOYSA-N 1 0 294.399 2.940 20 5 CFBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000128457943 377339009 /nfs/dbraw/zinc/33/90/09/377339009.db2.gz UUOOXOKALKKGOC-ZJUUUORDSA-N 1 0 284.743 2.763 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCCC1 ZINC000130328215 377539483 /nfs/dbraw/zinc/53/94/83/377539483.db2.gz WJADGLUGSZMQBN-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO COC[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265844263 190212394 /nfs/dbraw/zinc/21/23/94/190212394.db2.gz XLZIDBJYKPTMBQ-NEPJUHHUSA-N 1 0 264.325 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000131673027 377745268 /nfs/dbraw/zinc/74/52/68/377745268.db2.gz QVLYHGRVWIYAQY-LBPRGKRZSA-N 1 0 293.342 2.656 20 5 CFBDRO C[NH2+]C[C@H](C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000133235088 377915792 /nfs/dbraw/zinc/91/57/92/377915792.db2.gz QNZRARXEHORCFV-QMMMGPOBSA-N 1 0 291.273 2.881 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCSCC1 ZINC000134608628 378036415 /nfs/dbraw/zinc/03/64/15/378036415.db2.gz QBZSGUMOLPBVPO-UHFFFAOYSA-N 1 0 266.366 2.828 20 5 CFBDRO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000135288254 378112635 /nfs/dbraw/zinc/11/26/35/378112635.db2.gz XXQBNAGIADHSOV-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135336678 378119853 /nfs/dbraw/zinc/11/98/53/378119853.db2.gz IPIDTVAXQKOHRT-GXTWGEPZSA-N 1 0 280.372 2.692 20 5 CFBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000135336659 378120594 /nfs/dbraw/zinc/12/05/94/378120594.db2.gz IPIDTVAXQKOHRT-TZMCWYRMSA-N 1 0 280.372 2.692 20 5 CFBDRO CSC[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000135460703 378135967 /nfs/dbraw/zinc/13/59/67/378135967.db2.gz BAXGXAJWVIQMGB-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000135470407 378136383 /nfs/dbraw/zinc/13/63/83/378136383.db2.gz HIOUSEJXAVOABE-NQBHXWOUSA-N 1 0 264.325 2.670 20 5 CFBDRO CSC[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000135460720 378136548 /nfs/dbraw/zinc/13/65/48/378136548.db2.gz BAXGXAJWVIQMGB-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)COC)cc1[N+](=O)[O-] ZINC000152512222 378423666 /nfs/dbraw/zinc/42/36/66/378423666.db2.gz ZYVDSOQJHJYLAS-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330414203 378549180 /nfs/dbraw/zinc/54/91/80/378549180.db2.gz ZXDLNJDRHIDYJH-GRYCIOLGSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000155098300 378611310 /nfs/dbraw/zinc/61/13/10/378611310.db2.gz WHPAZBVFCVXMSH-LBPRGKRZSA-N 1 0 263.341 2.657 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H](C)C1 ZINC000332315757 378745418 /nfs/dbraw/zinc/74/54/18/378745418.db2.gz YLCFYGQSVKPGIC-VXGBXAGGSA-N 1 0 264.325 2.624 20 5 CFBDRO C[C@@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000332309375 378745660 /nfs/dbraw/zinc/74/56/60/378745660.db2.gz OXBGGBMIIFJNCL-KFNAQCHYSA-N 1 0 289.379 2.702 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045630 378720742 /nfs/dbraw/zinc/72/07/42/378720742.db2.gz LPABCJZBNQPZGV-QWRGUYRKSA-N 1 0 292.335 2.692 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163572227 378981208 /nfs/dbraw/zinc/98/12/08/378981208.db2.gz COJHFHUZNFQGRB-HUUCEWRRSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1nc(F)ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000278577240 194052848 /nfs/dbraw/zinc/05/28/48/194052848.db2.gz YCVKCIYBPMGZOY-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350503 379070847 /nfs/dbraw/zinc/07/08/47/379070847.db2.gz FXZMNOXIMJNIFJ-JQWIXIFHSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1cc(N(C)CC[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167383969 379071421 /nfs/dbraw/zinc/07/14/21/379071421.db2.gz SSONKNRQNDTYML-NSHDSACASA-N 1 0 289.335 2.659 20 5 CFBDRO CC(C)OCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168954464 379100824 /nfs/dbraw/zinc/10/08/24/379100824.db2.gz OSBOCNATQKXDEQ-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCCCC3)nc2c1 ZINC000278748020 194136103 /nfs/dbraw/zinc/13/61/03/194136103.db2.gz RTGDCUZILXOIRD-UHFFFAOYSA-N 1 0 274.324 2.893 20 5 CFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000278961616 194231655 /nfs/dbraw/zinc/23/16/55/194231655.db2.gz ZPIMMBGPNBSUIX-GFCCVEGCSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173374427 379732459 /nfs/dbraw/zinc/73/24/59/379732459.db2.gz KRQGETIZXCTGCD-LBPRGKRZSA-N 1 0 288.351 2.612 20 5 CFBDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173423107 379735646 /nfs/dbraw/zinc/73/56/46/379735646.db2.gz VJMRCKHKMKROSY-GIPWTMENSA-N 1 0 298.408 2.793 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000174863107 379953341 /nfs/dbraw/zinc/95/33/41/379953341.db2.gz DAHXYUUOUXAMPG-OAHLLOKOSA-N 1 0 290.367 2.614 20 5 CFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177888949 380390702 /nfs/dbraw/zinc/39/07/02/380390702.db2.gz JEHOJJIWAPYOPF-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178370235 380443854 /nfs/dbraw/zinc/44/38/54/380443854.db2.gz VGJBSDUFYSOPOY-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CCCO)C1 ZINC000452128385 383747491 /nfs/dbraw/zinc/74/74/91/383747491.db2.gz MBPBBYBJIIFOQR-STQMWFEESA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000572015086 383747764 /nfs/dbraw/zinc/74/77/64/383747764.db2.gz KEZLBZDRZXUFOJ-JTNHKYCSSA-N 1 0 276.336 2.739 20 5 CFBDRO COCC1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000295339789 380798750 /nfs/dbraw/zinc/79/87/50/380798750.db2.gz CWGWQILOPJAIAK-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@H]([NH2+]CCC(=O)OC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181552330 380824691 /nfs/dbraw/zinc/82/46/91/380824691.db2.gz UELLPDZZALRASU-AWEZNQCLSA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000288499100 197095664 /nfs/dbraw/zinc/09/56/64/197095664.db2.gz HXGGHEXCNHFDOJ-IINYFYTJSA-N 1 0 292.360 2.868 20 5 CFBDRO Cc1cnccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000295375616 380817091 /nfs/dbraw/zinc/81/70/91/380817091.db2.gz JYHLZIIGZJHULL-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Nc1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000367818701 380840657 /nfs/dbraw/zinc/84/06/57/380840657.db2.gz PZODCNMQTBEUIL-UHFFFAOYSA-N 1 0 290.367 2.606 20 5 CFBDRO CCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000181762665 380888265 /nfs/dbraw/zinc/88/82/65/380888265.db2.gz HSDLYGQWVQTRFD-AWEZNQCLSA-N 1 0 288.351 2.922 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347029470 380890028 /nfs/dbraw/zinc/89/00/28/380890028.db2.gz WJOMJYXVDRBDCH-NQBHXWOUSA-N 1 0 292.335 2.539 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353851441 380899680 /nfs/dbraw/zinc/89/96/80/380899680.db2.gz QMEXSKNQBWGSJH-FZMZJTMJSA-N 1 0 278.352 2.572 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000181833077 380909453 /nfs/dbraw/zinc/90/94/53/380909453.db2.gz PSJHYNNRLYFJSH-LBPRGKRZSA-N 1 0 294.351 2.896 20 5 CFBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000341304547 380921037 /nfs/dbraw/zinc/92/10/37/380921037.db2.gz QFUSNEZMAVHHLY-XQQFMLRXSA-N 1 0 280.368 2.665 20 5 CFBDRO CCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000347165099 380979678 /nfs/dbraw/zinc/97/96/78/380979678.db2.gz JPFGBGCCRJMBPD-ZQMJAJRESA-N 1 0 289.379 2.682 20 5 CFBDRO Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347166593 380980521 /nfs/dbraw/zinc/98/05/21/380980521.db2.gz KDMMPXBLJZSFEV-YIONKMFJSA-N 1 0 289.379 2.618 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000368396025 381010462 /nfs/dbraw/zinc/01/04/62/381010462.db2.gz YHSCLXVBGZAUAG-NSHDSACASA-N 1 0 294.326 2.974 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000347235510 381019699 /nfs/dbraw/zinc/01/96/99/381019699.db2.gz RYPHSNFLSIQREZ-SNVBAGLBSA-N 1 0 284.381 2.782 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCOCC1 ZINC000347363443 381097904 /nfs/dbraw/zinc/09/79/04/381097904.db2.gz QJMLBJIDAKYVHG-JLHYYAGUSA-N 1 0 276.336 2.720 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000347375712 381108249 /nfs/dbraw/zinc/10/82/49/381108249.db2.gz KFVBVTLDRUAMRG-RKIJOGDYSA-N 1 0 290.363 2.701 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCOC1 ZINC000347376088 381108584 /nfs/dbraw/zinc/10/85/84/381108584.db2.gz ZHBLPPRFIGECBV-JQVXPOPVSA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c(C)s1 ZINC000182744271 381148835 /nfs/dbraw/zinc/14/88/35/381148835.db2.gz RALJPWRGOXDHEW-SNVBAGLBSA-N 1 0 294.380 2.820 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182780763 381156680 /nfs/dbraw/zinc/15/66/80/381156680.db2.gz NEIAARPMGZRMAO-KIFYNCCSSA-N 1 0 290.363 2.952 20 5 CFBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182660931 381131179 /nfs/dbraw/zinc/13/11/79/381131179.db2.gz JVJCWSFQLQJTQW-VXGBXAGGSA-N 1 0 294.351 2.705 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1(C)C ZINC000295952852 381178412 /nfs/dbraw/zinc/17/84/12/381178412.db2.gz JKMNZMFBDZLNCW-CQSZACIVSA-N 1 0 296.342 2.981 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2cccs2)C2CC2)n1 ZINC000347522546 381201018 /nfs/dbraw/zinc/20/10/18/381201018.db2.gz BUAUZLFHLQUGAS-ZDUSSCGKSA-N 1 0 292.364 2.594 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)OC(C)(C)C1 ZINC000183296691 381252396 /nfs/dbraw/zinc/25/23/96/381252396.db2.gz BIXBJKPBJLPXKU-LBPRGKRZSA-N 1 0 278.352 2.903 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCN2CC=CCC2)cccc1[N+](=O)[O-] ZINC000359081872 381254357 /nfs/dbraw/zinc/25/43/57/381254357.db2.gz MPHKOWVDMCAYIM-CQSZACIVSA-N 1 0 289.379 2.816 20 5 CFBDRO CCC[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000290011431 381259542 /nfs/dbraw/zinc/25/95/42/381259542.db2.gz ZUDBMNKIYLKJPX-OAHLLOKOSA-N 1 0 288.351 2.991 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359099102 381263713 /nfs/dbraw/zinc/26/37/13/381263713.db2.gz OAASGUOUEPYALT-CHWSQXEVSA-N 1 0 292.383 2.526 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000342275002 381240966 /nfs/dbraw/zinc/24/09/66/381240966.db2.gz IUACHFHFJNGFJO-WDEREUQCSA-N 1 0 298.314 2.592 20 5 CFBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000296077205 381245549 /nfs/dbraw/zinc/24/55/49/381245549.db2.gz QGIIWISHUWAOEI-ZDUSSCGKSA-N 1 0 289.379 2.511 20 5 CFBDRO CS[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296200000 381299531 /nfs/dbraw/zinc/29/95/31/381299531.db2.gz JFWUTGMQRPWVPY-CQSZACIVSA-N 1 0 296.392 2.801 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](SC)C1 ZINC000296204296 381300442 /nfs/dbraw/zinc/30/04/42/381300442.db2.gz JKNMWGIONJVQOC-LBPRGKRZSA-N 1 0 282.365 2.541 20 5 CFBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000354459159 381284807 /nfs/dbraw/zinc/28/48/07/381284807.db2.gz YWIQJBZRQWVJOR-JFDUVMPXSA-N 1 0 289.379 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)CCC2 ZINC000296228362 381310145 /nfs/dbraw/zinc/31/01/45/381310145.db2.gz BYGQIDNGMFQFEM-PVXIVEMSSA-N 1 0 290.363 2.723 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000342407756 381316252 /nfs/dbraw/zinc/31/62/52/381316252.db2.gz ZDPDOUIWAFQTGS-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO Cc1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369958386 381356458 /nfs/dbraw/zinc/35/64/58/381356458.db2.gz LTNODEMKRODNCG-ZDUSSCGKSA-N 1 0 275.352 2.578 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290214444 381343624 /nfs/dbraw/zinc/34/36/24/381343624.db2.gz QFUCCOAJUFXBQW-IAQYHMDHSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000184416038 381412923 /nfs/dbraw/zinc/41/29/23/381412923.db2.gz WYLITQXBALUXER-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO CCCN(CCC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000290568653 381482032 /nfs/dbraw/zinc/48/20/32/381482032.db2.gz SYXVIBRYZVUBMZ-UHFFFAOYSA-N 1 0 285.413 2.820 20 5 CFBDRO COc1cccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501067 381454297 /nfs/dbraw/zinc/45/42/97/381454297.db2.gz AROJGQSYQATHPX-MNOVXSKESA-N 1 0 291.351 2.641 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348328064 381510393 /nfs/dbraw/zinc/51/03/93/381510393.db2.gz GCTVPMBQQCQNPY-SWPVVBRQSA-N 1 0 256.252 2.899 20 5 CFBDRO CC(=O)c1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000342837388 381576748 /nfs/dbraw/zinc/57/67/48/381576748.db2.gz XOSJRZKLDYORCC-YGRLFVJLSA-N 1 0 291.351 2.692 20 5 CFBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290802083 381556610 /nfs/dbraw/zinc/55/66/10/381556610.db2.gz FJFGMXHTHZUDTI-CQSZACIVSA-N 1 0 296.342 2.621 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000297449052 381561657 /nfs/dbraw/zinc/56/16/57/381561657.db2.gz WVXCJQPYMSHTLM-QWRGUYRKSA-N 1 0 274.324 2.740 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348521340 381606379 /nfs/dbraw/zinc/60/63/79/381606379.db2.gz PKYHUVOFDUBFGH-CMPLNLGQSA-N 1 0 286.278 2.845 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355112145 381619731 /nfs/dbraw/zinc/61/97/31/381619731.db2.gz NDWHYVUTBOZSFM-ZIAGYGMSSA-N 1 0 276.336 2.596 20 5 CFBDRO Cc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371416388 381620571 /nfs/dbraw/zinc/62/05/71/381620571.db2.gz LVGKWJOTUWVFKR-OAHLLOKOSA-N 1 0 289.379 2.573 20 5 CFBDRO CCOC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298429341 381621806 /nfs/dbraw/zinc/62/18/06/381621806.db2.gz YGQHKZDIJODIBH-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355141438 381639331 /nfs/dbraw/zinc/63/93/31/381639331.db2.gz YERAVSNYURFXRL-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414966283 381662499 /nfs/dbraw/zinc/66/24/99/381662499.db2.gz WCWIJKXBXBZFGR-SWLSCSKDSA-N 1 0 291.395 2.806 20 5 CFBDRO Cn1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000348670073 381663492 /nfs/dbraw/zinc/66/34/92/381663492.db2.gz HRRIBXBUOGAAJY-UHFFFAOYSA-N 1 0 273.336 2.608 20 5 CFBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359907576 381669899 /nfs/dbraw/zinc/66/98/99/381669899.db2.gz GEEJBUFUYBSHIT-AWEZNQCLSA-N 1 0 281.331 2.794 20 5 CFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C1CCCCC1 ZINC000185503256 381651768 /nfs/dbraw/zinc/65/17/68/381651768.db2.gz UTPSZMZJIMSUTO-CHWSQXEVSA-N 1 0 294.399 2.986 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)CC1CC1 ZINC000348712411 381681723 /nfs/dbraw/zinc/68/17/23/381681723.db2.gz HYMCOLBIRKNPQS-LCYFTJDESA-N 1 0 290.363 2.702 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000371881169 381716342 /nfs/dbraw/zinc/71/63/42/381716342.db2.gz DYSGHOFYFREUTC-UHFFFAOYSA-N 1 0 290.363 2.906 20 5 CFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655819 381696404 /nfs/dbraw/zinc/69/64/04/381696404.db2.gz KSPVCEZJGKSWRQ-GLQYFDAESA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343449857 381717583 /nfs/dbraw/zinc/71/75/83/381717583.db2.gz DNYBPROZJOONKM-KOLCDFICSA-N 1 0 267.304 2.629 20 5 CFBDRO [NH3+]CCN(Cc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000348894670 381758431 /nfs/dbraw/zinc/75/84/31/381758431.db2.gz ONMJZENYWVAMCA-UHFFFAOYSA-N 1 0 289.310 2.699 20 5 CFBDRO C[C@H]1[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343482196 381744172 /nfs/dbraw/zinc/74/41/72/381744172.db2.gz SSBYRXVMDSLUSS-UFBFGSQYSA-N 1 0 285.294 2.768 20 5 CFBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000415062712 381748951 /nfs/dbraw/zinc/74/89/51/381748951.db2.gz FVVGARJXESJOQA-INIZCTEOSA-N 1 0 299.374 2.947 20 5 CFBDRO [NH3+]C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000415071569 381755595 /nfs/dbraw/zinc/75/55/95/381755595.db2.gz WOYFIDXKKMJZMF-BOSPYUDASA-N 1 0 289.379 2.715 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000343460675 381725894 /nfs/dbraw/zinc/72/58/94/381725894.db2.gz FMXGAEYLJRAIAQ-IJLUTSLNSA-N 1 0 266.341 2.977 20 5 CFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000372283803 381784618 /nfs/dbraw/zinc/78/46/18/381784618.db2.gz UZKSEPYPCJYPKZ-CHWSQXEVSA-N 1 0 276.340 2.537 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292208814 381795286 /nfs/dbraw/zinc/79/52/86/381795286.db2.gz TVCQBWKKKIQGTP-XJKSGUPXSA-N 1 0 289.379 2.683 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291692260 381769840 /nfs/dbraw/zinc/76/98/40/381769840.db2.gz HNOWDZLDWDXJPC-QWHCGFSZSA-N 1 0 286.335 2.799 20 5 CFBDRO COC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000361566681 381844531 /nfs/dbraw/zinc/84/45/31/381844531.db2.gz SDMUSOMFEPJKFP-UHFFFAOYSA-N 1 0 290.363 2.912 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1F ZINC000292773040 381828751 /nfs/dbraw/zinc/82/87/51/381828751.db2.gz PIAXJYVEARUPDZ-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770045 381829341 /nfs/dbraw/zinc/82/93/41/381829341.db2.gz WRMSFCLGYNCICV-WCQYABFASA-N 1 0 295.358 2.819 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]C2CCCCC2)cn1 ZINC000356458969 381851628 /nfs/dbraw/zinc/85/16/28/381851628.db2.gz QHVXLXFMYZUNJG-UHFFFAOYSA-N 1 0 278.356 2.714 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000343628418 381854088 /nfs/dbraw/zinc/85/40/88/381854088.db2.gz MWXYHGNRPUBWRC-CYBMUJFWSA-N 1 0 293.367 2.608 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292840357 381859934 /nfs/dbraw/zinc/85/99/34/381859934.db2.gz QMMWPPFFNMHXQO-HNNXBMFYSA-N 1 0 275.352 2.517 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292924349 381905644 /nfs/dbraw/zinc/90/56/44/381905644.db2.gz YSYIYPAFTBQLPP-HNNXBMFYSA-N 1 0 293.342 2.656 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000349367181 381910879 /nfs/dbraw/zinc/91/08/79/381910879.db2.gz LBLPUIGQJANBME-KANSDYPASA-N 1 0 290.363 2.701 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186492872 381927149 /nfs/dbraw/zinc/92/71/49/381927149.db2.gz VFERCPILQUENJU-UFYXKPLISA-N 1 0 278.352 2.963 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362070504 381894027 /nfs/dbraw/zinc/89/40/27/381894027.db2.gz XLELLFYYMOSMJZ-HNNXBMFYSA-N 1 0 289.379 2.655 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000293051247 381968745 /nfs/dbraw/zinc/96/87/45/381968745.db2.gz ROEFUFZKTVRVBK-HNNXBMFYSA-N 1 0 292.379 2.873 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)OCC ZINC000186536588 381939693 /nfs/dbraw/zinc/93/96/93/381939693.db2.gz CCBURISGSBVSRQ-UHFFFAOYSA-N 1 0 296.367 2.898 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186771263 382008680 /nfs/dbraw/zinc/00/86/80/382008680.db2.gz XGIPIDLMAFPYCH-LBPRGKRZSA-N 1 0 278.352 2.669 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293106699 381992595 /nfs/dbraw/zinc/99/25/95/381992595.db2.gz LLXZVYSDVAWBEH-SMDDNHRTSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343984254 382047515 /nfs/dbraw/zinc/04/75/15/382047515.db2.gz UTHROUSQLWGUPZ-VXGBXAGGSA-N 1 0 286.335 2.667 20 5 CFBDRO CCC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417355581 382054020 /nfs/dbraw/zinc/05/40/20/382054020.db2.gz ODVLSSFRSLNFCQ-YUELXQCFSA-N 1 0 278.352 2.939 20 5 CFBDRO C[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000362434873 382066989 /nfs/dbraw/zinc/06/69/89/382066989.db2.gz QBMYWVNZSXGVEY-VXGBXAGGSA-N 1 0 264.325 2.561 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C ZINC000301241260 382119088 /nfs/dbraw/zinc/11/90/88/382119088.db2.gz GDZIAANQLYRRKD-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1ccnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301250420 382120939 /nfs/dbraw/zinc/12/09/39/382120939.db2.gz BYGHRFUWBIRTIO-GFCCVEGCSA-N 1 0 290.367 2.727 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344086845 382121114 /nfs/dbraw/zinc/12/11/14/382121114.db2.gz HDSLRMRYZWNCMG-CQSZACIVSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351926896 382071507 /nfs/dbraw/zinc/07/15/07/382071507.db2.gz MHZPXVABRSKQLC-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000301112698 382084244 /nfs/dbraw/zinc/08/42/44/382084244.db2.gz ZLRBFOWHIPHXLP-CYBMUJFWSA-N 1 0 263.341 2.881 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293346585 382087905 /nfs/dbraw/zinc/08/79/05/382087905.db2.gz GTRIUQQKUXPNDU-LLVKDONJSA-N 1 0 266.341 2.918 20 5 CFBDRO COc1cc(C[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000351971985 382099465 /nfs/dbraw/zinc/09/94/65/382099465.db2.gz YIYNCVTVLWUERE-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1Cl ZINC000301603643 382181083 /nfs/dbraw/zinc/18/10/83/382181083.db2.gz LFDDIFBCFJIUHF-UHFFFAOYSA-N 1 0 260.746 2.902 20 5 CFBDRO Cc1ccnc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301293847 382139842 /nfs/dbraw/zinc/13/98/42/382139842.db2.gz OLGCTYHCWMPSGK-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccnc(NC[C@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301310045 382146006 /nfs/dbraw/zinc/14/60/06/382146006.db2.gz YPKBMJGYVKUHGQ-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000301328730 382148834 /nfs/dbraw/zinc/14/88/34/382148834.db2.gz CTZKZOGDHSVDKK-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@@H]1C[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344139116 382153411 /nfs/dbraw/zinc/15/34/11/382153411.db2.gz YASWFVQGXONHPX-GHMZBOCLSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187575912 382216623 /nfs/dbraw/zinc/21/66/23/382216623.db2.gz JWBCLQBNESGPAM-INIZCTEOSA-N 1 0 292.379 2.622 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cnn(C)c1 ZINC000357699011 382284402 /nfs/dbraw/zinc/28/44/02/382284402.db2.gz PWYLWYKAKZPZTA-AWEZNQCLSA-N 1 0 288.351 2.878 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000187672257 382241138 /nfs/dbraw/zinc/24/11/38/382241138.db2.gz MPVYGSRHTGXBTE-HONMWMINSA-N 1 0 278.352 2.713 20 5 CFBDRO CC[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000419220987 382250060 /nfs/dbraw/zinc/25/00/60/382250060.db2.gz AJTNVYHWDQUHED-HNNXBMFYSA-N 1 0 278.352 2.984 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000293723384 382251726 /nfs/dbraw/zinc/25/17/26/382251726.db2.gz QURHLRIEBPEHLV-CYBMUJFWSA-N 1 0 266.341 2.808 20 5 CFBDRO CC[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000419274683 382265948 /nfs/dbraw/zinc/26/59/48/382265948.db2.gz CVYVYCDLDXNAES-NSHDSACASA-N 1 0 266.341 2.845 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000352325213 382274792 /nfs/dbraw/zinc/27/47/92/382274792.db2.gz OTGYBFAZPSERDG-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000364328644 382306928 /nfs/dbraw/zinc/30/69/28/382306928.db2.gz OJGOLGIXCMXMAY-KBPBESRZSA-N 1 0 290.367 2.785 20 5 CFBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000377642102 382309289 /nfs/dbraw/zinc/30/92/89/382309289.db2.gz AVCVNZRMHURVEK-OAHLLOKOSA-N 1 0 296.342 2.574 20 5 CFBDRO CCC(CC)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335107 382309927 /nfs/dbraw/zinc/30/99/27/382309927.db2.gz HVSJYGJWFSZMOF-CYBMUJFWSA-N 1 0 280.372 2.864 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCCCCC1 ZINC000302751673 382310146 /nfs/dbraw/zinc/31/01/46/382310146.db2.gz XRHPNGDFVBVZTD-UHFFFAOYSA-N 1 0 264.325 2.979 20 5 CFBDRO C[C@@H]1CCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187972452 382313339 /nfs/dbraw/zinc/31/33/39/382313339.db2.gz SSQATBMPKKVMQY-DOMZBBRYSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188006896 382323490 /nfs/dbraw/zinc/32/34/90/382323490.db2.gz XGOIQVDRMLYBIA-ZOWXZIJZSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000188014324 382325075 /nfs/dbraw/zinc/32/50/75/382325075.db2.gz NLNVJCGSBFDZCI-LNSITVRQSA-N 1 0 278.352 2.797 20 5 CFBDRO C[NH2+][C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420139502 382333138 /nfs/dbraw/zinc/33/31/38/382333138.db2.gz BEWVHZQSEAZIHH-MRVPVSSYSA-N 1 0 290.150 2.700 20 5 CFBDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294004981 382375768 /nfs/dbraw/zinc/37/57/68/382375768.db2.gz CYCXXEOSTOQXBD-BMIGLBTASA-N 1 0 293.367 2.643 20 5 CFBDRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294020920 382381049 /nfs/dbraw/zinc/38/10/49/382381049.db2.gz DWLXNQGJAYCQRJ-LLVKDONJSA-N 1 0 295.383 2.890 20 5 CFBDRO COc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000352540157 382385928 /nfs/dbraw/zinc/38/59/28/382385928.db2.gz HSNFZZVZMUCATK-CHWSQXEVSA-N 1 0 276.336 2.835 20 5 CFBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420370969 382391099 /nfs/dbraw/zinc/39/10/99/382391099.db2.gz WKOVTZHELZBGIM-LBPRGKRZSA-N 1 0 285.775 2.711 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000420297232 382348127 /nfs/dbraw/zinc/34/81/27/382348127.db2.gz REDORWZHTFHXBA-XQQFMLRXSA-N 1 0 277.368 2.646 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000305148352 382428190 /nfs/dbraw/zinc/42/81/90/382428190.db2.gz SNUYSFHZNHRQGA-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@H]2C(C)(C)O)cccc1[N+](=O)[O-] ZINC000305206663 382434183 /nfs/dbraw/zinc/43/41/83/382434183.db2.gz YGGYHDCKKNMKEM-AWEZNQCLSA-N 1 0 278.352 2.639 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@H]1O ZINC000352669339 382444878 /nfs/dbraw/zinc/44/48/78/382444878.db2.gz YYOLDDNPRCNIGY-QWHCGFSZSA-N 1 0 284.743 2.593 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000358020653 382413547 /nfs/dbraw/zinc/41/35/47/382413547.db2.gz FQNAIYZOTVIGRD-STQMWFEESA-N 1 0 294.351 2.508 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCOCC(F)F)cccc1[N+](=O)[O-] ZINC000188751032 382470372 /nfs/dbraw/zinc/47/03/72/382470372.db2.gz CRBXMMPOJAVIAP-JTQLQIEISA-N 1 0 288.294 2.836 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000352709076 382453926 /nfs/dbraw/zinc/45/39/26/382453926.db2.gz ZDGHIVQBULGKDG-ZDUSSCGKSA-N 1 0 298.770 2.889 20 5 CFBDRO COC(C)(C)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708212 382454190 /nfs/dbraw/zinc/45/41/90/382454190.db2.gz FKWYZGLJUUMDDQ-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294227876 382468107 /nfs/dbraw/zinc/46/81/07/382468107.db2.gz NZRFQTDMPBEWHD-CQSZACIVSA-N 1 0 282.315 2.592 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@@H+]1C ZINC000421010768 382505501 /nfs/dbraw/zinc/50/55/01/382505501.db2.gz RDXAQRQSAKHMJO-CHWSQXEVSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)CC1 ZINC000358209463 382505999 /nfs/dbraw/zinc/50/59/99/382505999.db2.gz XFQNDAQPHMWPDR-NSHDSACASA-N 1 0 291.351 2.702 20 5 CFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821501 382577907 /nfs/dbraw/zinc/57/79/07/382577907.db2.gz RRADFWIOCPZVOY-MFKMUULPSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000385610423 382572356 /nfs/dbraw/zinc/57/23/56/382572356.db2.gz GLSPPCFEEZLWBY-JTNHKYCSSA-N 1 0 264.325 2.608 20 5 CFBDRO C[NH2+]CCSCc1ccc([N+](=O)[O-])cc1Cl ZINC000382663447 382534466 /nfs/dbraw/zinc/53/44/66/382534466.db2.gz UNUUUDIWTHZJGQ-UHFFFAOYSA-N 1 0 260.746 2.701 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CF)CC2)c1 ZINC000295209050 382584930 /nfs/dbraw/zinc/58/49/30/382584930.db2.gz WGVQVFPWXJOIJH-UHFFFAOYSA-N 1 0 282.315 2.655 20 5 CFBDRO Cc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000358361391 382587893 /nfs/dbraw/zinc/58/78/93/382587893.db2.gz WUPWKLWEAZZEHQ-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358394268 382599233 /nfs/dbraw/zinc/59/92/33/382599233.db2.gz GSFCPRUEGGWKRH-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000353751906 382626414 /nfs/dbraw/zinc/62/64/14/382626414.db2.gz QMBYZCDWUSASIM-INIZCTEOSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826295 382578195 /nfs/dbraw/zinc/57/81/95/382578195.db2.gz SLXFPCHHWICFCF-WCQYABFASA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]([NH2+]Cc1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000346938426 382578745 /nfs/dbraw/zinc/57/87/45/382578745.db2.gz HFWDMLVEXXVGDF-SNVBAGLBSA-N 1 0 275.283 2.980 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000189861806 382643034 /nfs/dbraw/zinc/64/30/34/382643034.db2.gz AIUZRYUUOSBJGD-SNVBAGLBSA-N 1 0 288.294 2.836 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c(Cl)c1 ZINC000189928051 382645460 /nfs/dbraw/zinc/64/54/60/382645460.db2.gz ZKPIVPIXOCYEQQ-HZMBPMFUSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]1CSCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000190438025 382668350 /nfs/dbraw/zinc/66/83/50/382668350.db2.gz ITCBKANEMZIZHR-LBPRGKRZSA-N 1 0 280.393 2.822 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000190954724 382686209 /nfs/dbraw/zinc/68/62/09/382686209.db2.gz AJGSHBAQDXXLEU-OCCSQVGLSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])s2)([NH+](C)C)C1 ZINC000189683794 382635301 /nfs/dbraw/zinc/63/53/01/382635301.db2.gz OYFXGGJHINTENX-ZWNOBZJWSA-N 1 0 298.412 2.974 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000189739977 382638755 /nfs/dbraw/zinc/63/87/55/382638755.db2.gz GCPQUSAVJQJSNH-ZDUSSCGKSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000192502874 382709549 /nfs/dbraw/zinc/70/95/49/382709549.db2.gz HTFUEQVFBOIXLU-NSHDSACASA-N 1 0 298.412 2.831 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192772006 382712080 /nfs/dbraw/zinc/71/20/80/382712080.db2.gz MPRIQIRPCNRCGZ-UHFFFAOYSA-N 1 0 292.383 2.709 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192858943 382712952 /nfs/dbraw/zinc/71/29/52/382712952.db2.gz SGJFLEYRAIUEKO-IUIKQTSFSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCCCO ZINC000192906794 382713653 /nfs/dbraw/zinc/71/36/53/382713653.db2.gz UEMCIPADXHXEEH-UHFFFAOYSA-N 1 0 272.732 2.500 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192945056 382713899 /nfs/dbraw/zinc/71/38/99/382713899.db2.gz PNWUREMAQKQXGP-LRDDRELGSA-N 1 0 292.379 2.970 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCCO)o2)c1 ZINC000193255462 382717646 /nfs/dbraw/zinc/71/76/46/382717646.db2.gz SUODISNPIYUBFD-UHFFFAOYSA-N 1 0 290.319 2.717 20 5 CFBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000193390854 382719574 /nfs/dbraw/zinc/71/95/74/382719574.db2.gz JRIRPNMOIBCRPR-LBPRGKRZSA-N 1 0 292.383 2.711 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000193669204 382722397 /nfs/dbraw/zinc/72/23/97/382722397.db2.gz BSOZNROMGOHFBM-UHFFFAOYSA-N 1 0 267.285 2.733 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000336828905 382725597 /nfs/dbraw/zinc/72/55/97/382725597.db2.gz DYDYSFYPUYJTNW-ZIAGYGMSSA-N 1 0 278.352 2.808 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000575069812 382726020 /nfs/dbraw/zinc/72/60/20/382726020.db2.gz JMMCLIXAGZBGGU-CYBMUJFWSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194005901 382732735 /nfs/dbraw/zinc/73/27/35/382732735.db2.gz CBFMDXBKGDYOJN-RYUDHWBXSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000219899327 382794566 /nfs/dbraw/zinc/79/45/66/382794566.db2.gz NRVPOHTTYOPBMT-DGCLKSJQSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)cs1 ZINC000337288063 382794780 /nfs/dbraw/zinc/79/47/80/382794780.db2.gz LJDKDAZZCWPELV-DTWKUNHWSA-N 1 0 292.307 2.906 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000216573238 382784136 /nfs/dbraw/zinc/78/41/36/382784136.db2.gz KZAHOOYGVLVGAJ-OLZOCXBDSA-N 1 0 261.325 2.634 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000218120402 382789295 /nfs/dbraw/zinc/78/92/95/382789295.db2.gz MLODATIOQPKDCH-GJZGRUSLSA-N 1 0 289.379 2.620 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCCO ZINC000194215903 382737637 /nfs/dbraw/zinc/73/76/37/382737637.db2.gz QZALWNDKMTVEDB-ZFWWWQNUSA-N 1 0 292.379 2.668 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000228554064 382847598 /nfs/dbraw/zinc/84/75/98/382847598.db2.gz RSLQTPJWKWTRNV-LBPRGKRZSA-N 1 0 266.366 2.746 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)cc1 ZINC000337297131 382796753 /nfs/dbraw/zinc/79/67/53/382796753.db2.gz OQHTZGSGUORZNX-NWDGAFQWSA-N 1 0 286.278 2.845 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000224004716 382808478 /nfs/dbraw/zinc/80/84/78/382808478.db2.gz XBVJXFHHXQRCDF-OAHLLOKOSA-N 1 0 278.352 2.686 20 5 CFBDRO CCOC1CC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000224450952 382811202 /nfs/dbraw/zinc/81/12/02/382811202.db2.gz CIOMMSPQAPBVLH-UNXYVOJBSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000229327806 382851182 /nfs/dbraw/zinc/85/11/82/382851182.db2.gz ALNHNHVNFROBCC-LLVKDONJSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227649247 382838791 /nfs/dbraw/zinc/83/87/91/382838791.db2.gz ZODGXKOJDYTCPO-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887474 382842021 /nfs/dbraw/zinc/84/20/21/382842021.db2.gz QOJCNTGQNHMIMG-SECBINFHSA-N 1 0 285.294 2.769 20 5 CFBDRO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000227889657 382842103 /nfs/dbraw/zinc/84/21/03/382842103.db2.gz GQHBOBPOXZUAEB-MRVPVSSYSA-N 1 0 285.294 2.768 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000227920330 382842276 /nfs/dbraw/zinc/84/22/76/382842276.db2.gz WTEDQULTQDGWFO-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681683 382854948 /nfs/dbraw/zinc/85/49/48/382854948.db2.gz IBBSYKXXTRCZGE-ZYHUDNBSSA-N 1 0 291.351 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOCC(F)F ZINC000231676972 382866455 /nfs/dbraw/zinc/86/64/55/382866455.db2.gz RTUWGOQLLRHEIK-UHFFFAOYSA-N 1 0 294.685 2.620 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000421870685 382955309 /nfs/dbraw/zinc/95/53/09/382955309.db2.gz FHNZZCNVQOXOGA-UKRRQHHQSA-N 1 0 278.352 2.723 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000578893942 382965165 /nfs/dbraw/zinc/96/51/65/382965165.db2.gz IAZFQVVXVCVTPF-YGRLFVJLSA-N 1 0 284.331 2.621 20 5 CFBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441436438 382914798 /nfs/dbraw/zinc/91/47/98/382914798.db2.gz ODJBKERDIKKPPI-RYUDHWBXSA-N 1 0 294.351 2.713 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000579105475 382983026 /nfs/dbraw/zinc/98/30/26/382983026.db2.gz BLFNUPSLLDFEDH-CQSZACIVSA-N 1 0 278.352 2.903 20 5 CFBDRO CC[C@@]1(O)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192416 382969247 /nfs/dbraw/zinc/96/92/47/382969247.db2.gz LCFNASPQJQZEJF-SWLSCSKDSA-N 1 0 278.352 2.811 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3c(n2)CCC3)c1 ZINC000579683518 383041944 /nfs/dbraw/zinc/04/19/44/383041944.db2.gz ZYUJRTLBFGHZID-UHFFFAOYSA-N 1 0 297.358 2.811 20 5 CFBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000579778844 383050758 /nfs/dbraw/zinc/05/07/58/383050758.db2.gz FOCFXZIRFMOYAT-GFCCVEGCSA-N 1 0 293.342 2.717 20 5 CFBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246128249 383063351 /nfs/dbraw/zinc/06/33/51/383063351.db2.gz OOFFSOVFFSDWSI-SMDDNHRTSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H](C[NH3+])N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423368606 383067315 /nfs/dbraw/zinc/06/73/15/383067315.db2.gz NJQMYCGPWNJCEE-LRDDRELGSA-N 1 0 285.347 2.621 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246682688 383092375 /nfs/dbraw/zinc/09/23/75/383092375.db2.gz MPKYGRLYYOCZCI-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000517244443 383172710 /nfs/dbraw/zinc/17/27/10/383172710.db2.gz HEAITIGOEKMQEV-CYBMUJFWSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247489402 383177466 /nfs/dbraw/zinc/17/74/66/383177466.db2.gz GPSPAFHQLGLIAV-DOMZBBRYSA-N 1 0 278.352 2.637 20 5 CFBDRO CCCCOCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108301 383178199 /nfs/dbraw/zinc/17/81/99/383178199.db2.gz UEJJRHWNEBTILE-CYBMUJFWSA-N 1 0 280.368 2.932 20 5 CFBDRO O=[N+]([O-])c1ccc(CSCC2CC[NH2+]CC2)cc1 ZINC000566736328 383206323 /nfs/dbraw/zinc/20/63/23/383206323.db2.gz UTGLNCMHIKFPED-UHFFFAOYSA-N 1 0 266.366 2.828 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339470276 383208826 /nfs/dbraw/zinc/20/88/26/383208826.db2.gz QTMZDWDDIOOGDB-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CC([NH+](C)C)C1 ZINC000520428332 383256012 /nfs/dbraw/zinc/25/60/12/383256012.db2.gz QYVJFNQCPPXVPA-KPKJPENVSA-N 1 0 289.379 2.680 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339623295 383264921 /nfs/dbraw/zinc/26/49/21/383264921.db2.gz NPNAVCBGTVHEAG-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000339623296 383265688 /nfs/dbraw/zinc/26/56/88/383265688.db2.gz NPNAVCBGTVHEAG-PHIMTYICSA-N 1 0 297.786 2.773 20 5 CFBDRO COc1ccc(OCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339625705 383267340 /nfs/dbraw/zinc/26/73/40/383267340.db2.gz DMHKPIPTVHMRTN-UHFFFAOYSA-N 1 0 292.335 2.634 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000248595011 383267858 /nfs/dbraw/zinc/26/78/58/383267858.db2.gz HYMLSLJLTWELST-GDBMZVCRSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449409751 383273117 /nfs/dbraw/zinc/27/31/17/383273117.db2.gz VWLKLZLTWRXZIB-CHWSQXEVSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449409754 383273952 /nfs/dbraw/zinc/27/39/52/383273952.db2.gz VWLKLZLTWRXZIB-STQMWFEESA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@H](F)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000339498156 383217686 /nfs/dbraw/zinc/21/76/86/383217686.db2.gz XXZXRKDWPVRHHL-MALLOTDXSA-N 1 0 252.289 2.946 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC)OC ZINC000449375984 383245992 /nfs/dbraw/zinc/24/59/92/383245992.db2.gz KGVXUCSSNRYSGT-CQSZACIVSA-N 1 0 296.367 2.898 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449502553 383338937 /nfs/dbraw/zinc/33/89/37/383338937.db2.gz OSGQDAVYNGLFNG-IUODEOHRSA-N 1 0 278.352 2.760 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000449503519 383340292 /nfs/dbraw/zinc/34/02/92/383340292.db2.gz UFVCNIBRSTYYOF-CYBMUJFWSA-N 1 0 286.335 2.698 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449504621 383341082 /nfs/dbraw/zinc/34/10/82/383341082.db2.gz QUCSNAMZISBGAC-XHDPSFHLSA-N 1 0 296.342 2.981 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(CC)OC ZINC000449471651 383315043 /nfs/dbraw/zinc/31/50/43/383315043.db2.gz CYYVAQMQCPFBDE-OAHLLOKOSA-N 1 0 296.367 2.898 20 5 CFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339797149 383322092 /nfs/dbraw/zinc/32/20/92/383322092.db2.gz HBUQYSPUKMXWNF-MALLOTDXSA-N 1 0 272.308 2.682 20 5 CFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339797148 383322570 /nfs/dbraw/zinc/32/25/70/383322570.db2.gz HBUQYSPUKMXWNF-DUMNWFOQSA-N 1 0 272.308 2.682 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000252179857 383405894 /nfs/dbraw/zinc/40/58/94/383405894.db2.gz PUMFEBRMURYHCN-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO CCOc1cccc(N(CC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000425256935 383351901 /nfs/dbraw/zinc/35/19/01/383351901.db2.gz PRNFPKZBEVWSQO-UHFFFAOYSA-N 1 0 295.383 2.772 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@]1(C)CCCO1 ZINC000340312751 383413159 /nfs/dbraw/zinc/41/31/59/383413159.db2.gz NODLWOXBQPMHIH-IUODEOHRSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249889445 383366420 /nfs/dbraw/zinc/36/64/20/383366420.db2.gz CBBPOVQINLTOIP-NEPJUHHUSA-N 1 0 279.315 2.773 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340230390 383386283 /nfs/dbraw/zinc/38/62/83/383386283.db2.gz HGCGSVWPODSESA-XHDPSFHLSA-N 1 0 294.351 2.651 20 5 CFBDRO COC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000569258739 383482431 /nfs/dbraw/zinc/48/24/31/383482431.db2.gz KEMVNSLEILMZSM-UONOGXRCSA-N 1 0 276.336 2.597 20 5 CFBDRO CC(C)[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488098696 383495079 /nfs/dbraw/zinc/49/50/79/383495079.db2.gz WKFZQTIYJISRLY-CZUORRHYSA-N 1 0 291.395 2.928 20 5 CFBDRO Cc1c(C[NH2+][C@H]2Cc3cccc(O)c3C2)cccc1[N+](=O)[O-] ZINC000429302176 383517832 /nfs/dbraw/zinc/51/78/32/383517832.db2.gz QXLZLNDLSKXUOH-AWEZNQCLSA-N 1 0 298.342 2.866 20 5 CFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751972 383573954 /nfs/dbraw/zinc/57/39/54/383573954.db2.gz XDVBPXZFJVLQAF-XJKCOSOUSA-N 1 0 289.379 2.761 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000341138278 383580074 /nfs/dbraw/zinc/58/00/74/383580074.db2.gz LJPYONQAMOIUHM-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489269756 383602758 /nfs/dbraw/zinc/60/27/58/383602758.db2.gz VENZLXKFEDDQAH-NHYWBVRUSA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@@]1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]C1 ZINC000262074245 383602832 /nfs/dbraw/zinc/60/28/32/383602832.db2.gz SKDCJAKPWQDLTI-MRXNPFEDSA-N 1 0 289.379 2.559 20 5 CFBDRO CO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000570463319 383605620 /nfs/dbraw/zinc/60/56/20/383605620.db2.gz YCGWHLWRVXJZTJ-ZFWWWQNUSA-N 1 0 278.352 2.843 20 5 CFBDRO COc1cc(C[NH+]2CCC(CF)CC2)ccc1[N+](=O)[O-] ZINC000451393710 383607057 /nfs/dbraw/zinc/60/70/57/383607057.db2.gz NCQHHEBNPVLVHQ-UHFFFAOYSA-N 1 0 282.315 2.785 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000341117310 383570441 /nfs/dbraw/zinc/57/04/41/383570441.db2.gz JWGZFQASJBSMPB-LLVKDONJSA-N 1 0 297.403 2.652 20 5 CFBDRO CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551324 383643523 /nfs/dbraw/zinc/64/35/23/383643523.db2.gz UHBQVZHGIOHAAQ-GDBMZVCRSA-N 1 0 292.379 2.935 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489409843 383616516 /nfs/dbraw/zinc/61/65/16/383616516.db2.gz UTTDIIMGLBHALN-CYBMUJFWSA-N 1 0 264.325 2.704 20 5 CFBDRO CCN(C)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433144529 383754990 /nfs/dbraw/zinc/75/49/90/383754990.db2.gz MSKWCWCBDCNZHU-HNNXBMFYSA-N 1 0 291.395 2.859 20 5 CFBDRO CC1(F)CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000453236245 383811213 /nfs/dbraw/zinc/81/12/13/383811213.db2.gz KWNPNZJQCXSLAP-CBKZZEEASA-N 1 0 296.346 2.755 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000265032522 383819547 /nfs/dbraw/zinc/81/95/47/383819547.db2.gz VETYXNNTZJVVJN-CYBMUJFWSA-N 1 0 289.379 2.826 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000264863352 383792319 /nfs/dbraw/zinc/79/23/19/383792319.db2.gz PMEWTKNDOHNSOI-VFADXPBXSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000264891319 383797284 /nfs/dbraw/zinc/79/72/84/383797284.db2.gz XEMSYKNQOLJCBC-OAHLLOKOSA-N 1 0 296.367 2.634 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000264909487 383799340 /nfs/dbraw/zinc/79/93/40/383799340.db2.gz FANSBHCPVCMEMK-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO CC1(C)C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000453585007 383858975 /nfs/dbraw/zinc/85/89/75/383858975.db2.gz RTGVIFKRKIFQNP-SNVBAGLBSA-N 1 0 284.381 2.951 20 5 CFBDRO Cc1cnc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000453602483 383869799 /nfs/dbraw/zinc/86/97/99/383869799.db2.gz VZNKKEGJLQIJLB-XQRVVYSFSA-N 1 0 298.346 2.539 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000265880727 384023225 /nfs/dbraw/zinc/02/32/25/384023225.db2.gz OIZIHFIVULSHTO-CQSZACIVSA-N 1 0 292.360 2.654 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000573907810 384008751 /nfs/dbraw/zinc/00/87/51/384008751.db2.gz WPJJGEMTAOOKQU-HNNXBMFYSA-N 1 0 277.368 2.559 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000532577052 384047282 /nfs/dbraw/zinc/04/72/82/384047282.db2.gz CXZIUTSLALPHQD-CMPLNLGQSA-N 1 0 291.351 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000532451015 384030928 /nfs/dbraw/zinc/03/09/28/384030928.db2.gz XSTPDTGNWMDMNR-CHWSQXEVSA-N 1 0 288.351 2.839 20 5 CFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000266043732 384062695 /nfs/dbraw/zinc/06/26/95/384062695.db2.gz UOHOXIIHCLKMES-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO COc1cc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111045575 533027716 /nfs/dbraw/zinc/02/77/16/533027716.db2.gz YDMZLTXKVGULGN-UHFFFAOYSA-N 1 0 281.356 2.603 20 5 CFBDRO Cc1ccc(C[NH2+]C2(CF)CCC2)cc1[N+](=O)[O-] ZINC000574691146 384134583 /nfs/dbraw/zinc/13/45/83/384134583.db2.gz QVDFGYZPIDGLJQ-UHFFFAOYSA-N 1 0 252.289 2.885 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266286686 384137007 /nfs/dbraw/zinc/13/70/07/384137007.db2.gz VTSSKDUDJUSISX-NEPJUHHUSA-N 1 0 263.341 2.514 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281108010 195106643 /nfs/dbraw/zinc/10/66/43/195106643.db2.gz BBBJNPBHWHMDQS-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281111575 195107529 /nfs/dbraw/zinc/10/75/29/195107529.db2.gz BGRAWQUNHPJWQA-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000277120656 384206350 /nfs/dbraw/zinc/20/63/50/384206350.db2.gz HTZUXUIOHFNCLG-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266804261 384240266 /nfs/dbraw/zinc/24/02/66/384240266.db2.gz SQOWUHXUKAZYMX-GWCFXTLKSA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1c(CN2CCC[C@@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277266226 384249271 /nfs/dbraw/zinc/24/92/71/384249271.db2.gz RHMHFSDMXIBJBT-OAHLLOKOSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1ccnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277483808 384316460 /nfs/dbraw/zinc/31/64/60/384316460.db2.gz RFLSCCILZDREMW-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267307183 384353934 /nfs/dbraw/zinc/35/39/34/384353934.db2.gz WGPSQWXKYZOIPJ-OCCSQVGLSA-N 1 0 263.341 2.880 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000267219081 384327965 /nfs/dbraw/zinc/32/79/65/384327965.db2.gz IXRYDJXLKNWMSL-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277695276 384378963 /nfs/dbraw/zinc/37/89/63/384378963.db2.gz RATSTRGUIMLCLB-CYBMUJFWSA-N 1 0 293.367 2.508 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000278030203 384461853 /nfs/dbraw/zinc/46/18/53/384461853.db2.gz WXRXYTHAKGUSMN-NOZJJQNGSA-N 1 0 284.743 2.763 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268962037 384701754 /nfs/dbraw/zinc/70/17/54/384701754.db2.gz XYADPIODIPXDSH-GDBMZVCRSA-N 1 0 292.379 2.522 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CC1CCC1 ZINC000279812624 384772514 /nfs/dbraw/zinc/77/25/14/384772514.db2.gz OQRWTRZBXPQKBS-AWEZNQCLSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@H](C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660851 384824944 /nfs/dbraw/zinc/82/49/44/384824944.db2.gz QJDZLZBOOYANKG-FZMZJTMJSA-N 1 0 266.341 2.606 20 5 CFBDRO CC[C@@H](C)C[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269683303 384833206 /nfs/dbraw/zinc/83/32/06/384833206.db2.gz YYPDKYJRFPBQTE-DOMZBBRYSA-N 1 0 280.368 2.996 20 5 CFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000269636630 384815236 /nfs/dbraw/zinc/81/52/36/384815236.db2.gz HOPQGRWBFQPSRZ-DOMZBBRYSA-N 1 0 280.368 2.995 20 5 CFBDRO Cc1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269898976 384897599 /nfs/dbraw/zinc/89/75/99/384897599.db2.gz FGWNXSUCRLDVLV-KBPBESRZSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269898982 384898333 /nfs/dbraw/zinc/89/83/33/384898333.db2.gz FGWNXSUCRLDVLV-UONOGXRCSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOC1)CCC2 ZINC000192840002 285144284 /nfs/dbraw/zinc/14/42/84/285144284.db2.gz MDLBWCQVPSCDAM-WFASDCNBSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCOCC1)CCC2 ZINC000192790327 285144413 /nfs/dbraw/zinc/14/44/13/285144413.db2.gz UGHHPPYHQJJKFH-MRXNPFEDSA-N 1 0 290.363 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1O)CCC2 ZINC000192861632 285145555 /nfs/dbraw/zinc/14/55/55/285145555.db2.gz WYSGDJVWMGHNPD-PMPSAXMXSA-N 1 0 290.363 2.865 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000270071933 384966010 /nfs/dbraw/zinc/96/60/10/384966010.db2.gz IEIAERBDCYOLJP-UXIGCNINSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270071931 384966083 /nfs/dbraw/zinc/96/60/83/384966083.db2.gz IEIAERBDCYOLJP-OSAQELSMSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1c(C[N@@H+](CC2CCC2)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000280297506 384964053 /nfs/dbraw/zinc/96/40/53/384964053.db2.gz FNRQHXCDZSVIRF-GFCCVEGCSA-N 1 0 292.379 2.886 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCSC1 ZINC000289083260 197230257 /nfs/dbraw/zinc/23/02/57/197230257.db2.gz BARBHXKBSAPTPE-LBPRGKRZSA-N 1 0 280.393 2.822 20 5 CFBDRO C[C@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282529594 385335006 /nfs/dbraw/zinc/33/50/06/385335006.db2.gz QJVWHAJHHKJTFG-SNVBAGLBSA-N 1 0 284.356 2.919 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000271112171 385339555 /nfs/dbraw/zinc/33/95/55/385339555.db2.gz HOTMZZQPPWJJNU-BXUZGUMPSA-N 1 0 296.367 2.661 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000271199778 385373463 /nfs/dbraw/zinc/37/34/63/385373463.db2.gz SUDPMHIEEOMRRU-GXTWGEPZSA-N 1 0 278.352 2.639 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cn1 ZINC000282497282 385326709 /nfs/dbraw/zinc/32/67/09/385326709.db2.gz QNJBBSIYZAUXRL-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000271070992 385328238 /nfs/dbraw/zinc/32/82/38/385328238.db2.gz FBJKZUXXPSOBPP-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266282323 285164111 /nfs/dbraw/zinc/16/41/11/285164111.db2.gz UPGJGTHBAZMXMA-CQSZACIVSA-N 1 0 289.379 2.907 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000282937282 385413297 /nfs/dbraw/zinc/41/32/97/385413297.db2.gz GEAVRMRQVZOEPR-UHFFFAOYSA-N 1 0 260.293 2.862 20 5 CFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283282553 385453444 /nfs/dbraw/zinc/45/34/44/385453444.db2.gz XIKCJRGVRCMBSV-ZDUSSCGKSA-N 1 0 296.342 2.982 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cnn1C ZINC000283052033 385429211 /nfs/dbraw/zinc/42/92/11/385429211.db2.gz IYPOJAOCPNOYDS-SECBINFHSA-N 1 0 292.314 2.627 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272365740 385520163 /nfs/dbraw/zinc/52/01/63/385520163.db2.gz SWRYJTGPQACFLO-DZGCQCFKSA-N 1 0 292.379 2.824 20 5 CFBDRO CCC[C@@]1(CO)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000288823532 197173115 /nfs/dbraw/zinc/17/31/15/197173115.db2.gz NHRSEYPIAPZOMP-MRXNPFEDSA-N 1 0 292.379 2.622 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000272597313 385572209 /nfs/dbraw/zinc/57/22/09/385572209.db2.gz UOBTWGWMIKLMJU-HOCLYGCPSA-N 1 0 292.379 2.620 20 5 CFBDRO CN(c1cccc(F)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286423350 385615499 /nfs/dbraw/zinc/61/54/99/385615499.db2.gz PXKYCSNCFXWOCO-FOSCPWQOSA-N 1 0 293.342 2.795 20 5 CFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274096591 385718375 /nfs/dbraw/zinc/71/83/75/385718375.db2.gz UMJXKFFBXGQHMK-IJLUTSLNSA-N 1 0 294.351 2.833 20 5 CFBDRO C[N@H+](CCOC1CCC1)CCc1ccccc1[N+](=O)[O-] ZINC000286940820 385744816 /nfs/dbraw/zinc/74/48/16/385744816.db2.gz NWNXTOBRXOMEFZ-UHFFFAOYSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000287116183 385783535 /nfs/dbraw/zinc/78/35/35/385783535.db2.gz XAKNHCVMCXZAOI-XJKSGUPXSA-N 1 0 289.379 2.653 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000287247407 385811868 /nfs/dbraw/zinc/81/18/68/385811868.db2.gz JZOJZDQXDHBKIM-LBPRGKRZSA-N 1 0 293.342 2.656 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COc3ccccc32)cs1 ZINC000288587408 197120371 /nfs/dbraw/zinc/12/03/71/197120371.db2.gz OHVUTRGNRBGOMO-NSHDSACASA-N 1 0 290.344 2.922 20 5 CFBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000274426710 385795682 /nfs/dbraw/zinc/79/56/82/385795682.db2.gz VBPBQYQWKGHKPX-JTQLQIEISA-N 1 0 286.759 2.889 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)C(C)(C)C ZINC000276650962 386003264 /nfs/dbraw/zinc/00/32/64/386003264.db2.gz ZDJKQQZYJHPSQH-ZDUSSCGKSA-N 1 0 284.331 2.573 20 5 CFBDRO C[C@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000276857565 386060287 /nfs/dbraw/zinc/06/02/87/386060287.db2.gz JWWFNNNNPAVXPS-SNVBAGLBSA-N 1 0 284.356 2.919 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281212407 195150621 /nfs/dbraw/zinc/15/06/21/195150621.db2.gz SSFUWUDQJDSOJK-FZMZJTMJSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281279868 195178309 /nfs/dbraw/zinc/17/83/09/195178309.db2.gz XKFIGYAZWMQWCP-BXUZGUMPSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCCO1 ZINC000281357577 195210422 /nfs/dbraw/zinc/21/04/22/195210422.db2.gz KZVHKYMNMPSGJZ-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@@H](C)C1 ZINC000470172701 533383313 /nfs/dbraw/zinc/38/33/13/533383313.db2.gz AJTIZBGOCLLENA-MQJVFOOVSA-N 1 0 290.363 2.966 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C1CCC1 ZINC000449740706 533408212 /nfs/dbraw/zinc/40/82/12/533408212.db2.gz QPVBMOYHLPTPII-OQRGYWNNSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413093442 533572376 /nfs/dbraw/zinc/57/23/76/533572376.db2.gz JDKBKAWYLWFXBI-NSHDSACASA-N 1 0 288.351 2.895 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191832512 130313660 /nfs/dbraw/zinc/31/36/60/130313660.db2.gz MATNIRZQFKNCEY-OUCADQQQSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000228555752 130868786 /nfs/dbraw/zinc/86/87/86/130868786.db2.gz BCCJYDJPDQTCJQ-QWRGUYRKSA-N 1 0 266.366 2.999 20 5 CFBDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000247134559 131101292 /nfs/dbraw/zinc/10/12/92/131101292.db2.gz QNJLKIGYEMDTST-OBJOEFQTSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248344576 131114673 /nfs/dbraw/zinc/11/46/73/131114673.db2.gz LTUUSSNXXIEVOH-IJLUTSLNSA-N 1 0 291.351 2.652 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000252115401 131132556 /nfs/dbraw/zinc/13/25/56/131132556.db2.gz KDDQYNLOPMCNJR-TYNCELHUSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000252115400 131133042 /nfs/dbraw/zinc/13/30/42/131133042.db2.gz KDDQYNLOPMCNJR-LALPHHSUSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268914580 132087519 /nfs/dbraw/zinc/08/75/19/132087519.db2.gz ZXADLRVDEXJJBD-GFCCVEGCSA-N 1 0 288.351 2.841 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000268932974 132090407 /nfs/dbraw/zinc/09/04/07/132090407.db2.gz SXDYMHHHOFCNBL-CMPLNLGQSA-N 1 0 265.357 2.504 20 5 CFBDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268970017 132094552 /nfs/dbraw/zinc/09/45/52/132094552.db2.gz YKRYDWDCXVMJKC-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1c([C@H](C)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000269070633 132107772 /nfs/dbraw/zinc/10/77/72/132107772.db2.gz ZXXARTKZAGRDHM-AAEUAGOBSA-N 1 0 279.384 2.894 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000179323847 393463620 /nfs/dbraw/zinc/46/36/20/393463620.db2.gz IKHMYEGHPNJRJS-JTQLQIEISA-N 1 0 282.340 2.842 20 5 CFBDRO Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301726923 393477232 /nfs/dbraw/zinc/47/72/32/393477232.db2.gz VMOSMAJLTHTQBS-UONOGXRCSA-N 1 0 289.379 2.824 20 5 CFBDRO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000037487073 393530374 /nfs/dbraw/zinc/53/03/74/393530374.db2.gz TWOBAKHTOBQJGT-UHFFFAOYSA-N 1 0 272.304 2.893 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccco2)cs1 ZINC000037562714 393532576 /nfs/dbraw/zinc/53/25/76/393532576.db2.gz KPRMTSKRUXCMJY-UHFFFAOYSA-N 1 0 252.295 2.582 20 5 CFBDRO CC(C)COCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562635 393532663 /nfs/dbraw/zinc/53/26/63/393532663.db2.gz GCAFSRZVLIEJMB-UHFFFAOYSA-N 1 0 272.370 2.809 20 5 CFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000194083938 393676870 /nfs/dbraw/zinc/67/68/70/393676870.db2.gz CYDZYJYSYUAHLW-UHFFFAOYSA-N 1 0 275.352 2.881 20 5 CFBDRO Cc1c[nH+]ccc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192501406 393624905 /nfs/dbraw/zinc/62/49/05/393624905.db2.gz JAQINPUKBOSESI-UHFFFAOYSA-N 1 0 298.346 2.625 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000411139569 393672524 /nfs/dbraw/zinc/67/25/24/393672524.db2.gz CBPCOYREPTXCIY-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC1(C)C ZINC000077382641 393699103 /nfs/dbraw/zinc/69/91/03/393699103.db2.gz ABGWZZMLIRSKQQ-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000091959972 393785226 /nfs/dbraw/zinc/78/52/26/393785226.db2.gz JYKQSUUPYDPFJV-AGIUHOORSA-N 1 0 277.368 2.728 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342737050 393870142 /nfs/dbraw/zinc/87/01/42/393870142.db2.gz NUKSQDKDKHSXDQ-OBJOEFQTSA-N 1 0 277.368 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000343784397 393890766 /nfs/dbraw/zinc/89/07/66/393890766.db2.gz DOFYHTBKPJBHPP-KGLIPLIRSA-N 1 0 289.379 2.966 20 5 CFBDRO CCOCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470212197 393898817 /nfs/dbraw/zinc/89/88/17/393898817.db2.gz RKPNXIMDZDQVBN-RAXLEYEMSA-N 1 0 278.352 2.966 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424360544 393840793 /nfs/dbraw/zinc/84/07/93/393840793.db2.gz WGEASXKOZGUVQU-DEQVHRJGSA-N 1 0 260.337 2.914 20 5 CFBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749644 393940458 /nfs/dbraw/zinc/94/04/58/393940458.db2.gz FUKLOWOLNCKFPX-QWHCGFSZSA-N 1 0 280.372 2.692 20 5 CFBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120749325 393940796 /nfs/dbraw/zinc/94/07/96/393940796.db2.gz FUKLOWOLNCKFPX-STQMWFEESA-N 1 0 280.372 2.692 20 5 CFBDRO CC[C@H](C)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621227 394016585 /nfs/dbraw/zinc/01/65/85/394016585.db2.gz NPXZBGABKACQEA-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352701980 394018190 /nfs/dbraw/zinc/01/81/90/394018190.db2.gz WYWLOWNEXKBAFK-SWHYSGLUSA-N 1 0 264.325 2.501 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000122018157 393963183 /nfs/dbraw/zinc/96/31/83/393963183.db2.gz SCVDLGZMGDQBHG-LLVKDONJSA-N 1 0 282.365 2.589 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000430228258 393970614 /nfs/dbraw/zinc/97/06/14/393970614.db2.gz RRTJREXMMNKIFG-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000430242509 393971419 /nfs/dbraw/zinc/97/14/19/393971419.db2.gz YDKWUBULEWULPN-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430241373 393971760 /nfs/dbraw/zinc/97/17/60/393971760.db2.gz QFWPCZUPOYHXRN-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO CC1=C[C@@H](C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430259209 393973868 /nfs/dbraw/zinc/97/38/68/393973868.db2.gz DYBXIQVHFCWCFZ-GFCCVEGCSA-N 1 0 276.336 2.872 20 5 CFBDRO CC(C)OCCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000265918078 393978041 /nfs/dbraw/zinc/97/80/41/393978041.db2.gz ZOBDMLJSORFRST-UHFFFAOYSA-N 1 0 296.367 2.721 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+](C)C)C1 ZINC000266738157 393983495 /nfs/dbraw/zinc/98/34/95/393983495.db2.gz MPRHUZZNQCYWDA-OLZOCXBDSA-N 1 0 277.368 2.539 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C\c2ccncc2)cc1 ZINC000487305218 393996432 /nfs/dbraw/zinc/99/64/32/393996432.db2.gz VEECSCCUBSHKOW-UPHRSURJSA-N 1 0 283.331 2.835 20 5 CFBDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996961 393999089 /nfs/dbraw/zinc/99/90/89/393999089.db2.gz ICZMUSOUUHCTFD-MKBNYLNASA-N 1 0 289.379 2.728 20 5 CFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269362803 394003837 /nfs/dbraw/zinc/00/38/37/394003837.db2.gz JSVAGEBVIICFBA-KWQFWETISA-N 1 0 296.758 2.538 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269602922 394005487 /nfs/dbraw/zinc/00/54/87/394005487.db2.gz AYSUVKQXHAIWMH-RNCFNFMXSA-N 1 0 299.321 2.649 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cccc1[N+](=O)[O-] ZINC000358291764 394101534 /nfs/dbraw/zinc/10/15/34/394101534.db2.gz GPBLGBBEGZWVOV-FQKDVGPYSA-N 1 0 298.408 2.711 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278778121 394063395 /nfs/dbraw/zinc/06/33/95/394063395.db2.gz ZFXNWVYNRMYCKR-HNNXBMFYSA-N 1 0 286.335 2.698 20 5 CFBDRO C[C@@H]1CCSCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000279180261 394065967 /nfs/dbraw/zinc/06/59/67/394065967.db2.gz CUKGAUXGLJFIEX-GFCCVEGCSA-N 1 0 280.393 2.965 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000438357397 394079147 /nfs/dbraw/zinc/07/91/47/394079147.db2.gz XDJRAYKRGRRQBQ-AVGNSLFASA-N 1 0 278.352 2.901 20 5 CFBDRO CC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420167849 394087646 /nfs/dbraw/zinc/08/76/46/394087646.db2.gz RXCTXBNZWOTQET-UHFFFAOYSA-N 1 0 291.273 2.943 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130530586 394113053 /nfs/dbraw/zinc/11/30/53/394113053.db2.gz AJRZUPQXQSFFJT-LBPRGKRZSA-N 1 0 266.366 2.841 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCSC ZINC000439467496 394116468 /nfs/dbraw/zinc/11/64/68/394116468.db2.gz JJUCPMYBMBQFTB-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000131609017 394136341 /nfs/dbraw/zinc/13/63/41/394136341.db2.gz LAVNFBBQBUCONM-SNVBAGLBSA-N 1 0 279.315 2.630 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163285 394236346 /nfs/dbraw/zinc/23/63/46/394236346.db2.gz VUWJWCPVTYQHDN-TZMCWYRMSA-N 1 0 280.368 2.667 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000291322276 394239400 /nfs/dbraw/zinc/23/94/00/394239400.db2.gz SVALHCIRNCTJHW-OAHLLOKOSA-N 1 0 278.352 2.903 20 5 CFBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173485 394241048 /nfs/dbraw/zinc/24/10/48/394241048.db2.gz LIHLPCKXDLLESJ-UONOGXRCSA-N 1 0 294.395 2.914 20 5 CFBDRO CSC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCC1 ZINC000291532447 394241568 /nfs/dbraw/zinc/24/15/68/394241568.db2.gz KJWOGKPGEZTGCM-UHFFFAOYSA-N 1 0 295.408 2.646 20 5 CFBDRO CCC(CC)(C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000291648434 394253131 /nfs/dbraw/zinc/25/31/31/394253131.db2.gz CKTZCSNEVJNUKY-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](C2CC2)CC1 ZINC000286138157 394193507 /nfs/dbraw/zinc/19/35/07/394193507.db2.gz NJTMEBZPNIQNDK-UHFFFAOYSA-N 1 0 279.315 2.773 20 5 CFBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286393138 394195951 /nfs/dbraw/zinc/19/59/51/394195951.db2.gz PBJNZMDYEHNYKS-UKRRQHHQSA-N 1 0 289.379 2.966 20 5 CFBDRO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304984 394277123 /nfs/dbraw/zinc/27/71/23/394277123.db2.gz ZUXHKFUKEHVJPB-DGCLKSJQSA-N 1 0 265.357 2.763 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292867937 394277872 /nfs/dbraw/zinc/27/78/72/394277872.db2.gz STPUHMCVDJENBD-INIZCTEOSA-N 1 0 289.379 2.825 20 5 CFBDRO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526030 394290429 /nfs/dbraw/zinc/29/04/29/394290429.db2.gz KWVCUKXMQUWPKQ-NHYWBVRUSA-N 1 0 277.368 2.763 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453372676 394391922 /nfs/dbraw/zinc/39/19/22/394391922.db2.gz GUKBWIHFKAZRDU-NWANDNLSSA-N 1 0 278.352 2.797 20 5 CFBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000494636709 394361106 /nfs/dbraw/zinc/36/11/06/394361106.db2.gz JIGKJZXSLDCSPT-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)CO ZINC000451242595 394370278 /nfs/dbraw/zinc/37/02/78/394370278.db2.gz IZILCCCZUITXSX-NSHDSACASA-N 1 0 266.341 2.606 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172690790 394373625 /nfs/dbraw/zinc/37/36/25/394373625.db2.gz MFABMHPKQJJQDN-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(C)(C)C1 ZINC000452107162 394379092 /nfs/dbraw/zinc/37/90/92/394379092.db2.gz RPOWLKADGZGTSB-UHFFFAOYSA-N 1 0 280.372 2.690 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453412293 394399648 /nfs/dbraw/zinc/39/96/48/394399648.db2.gz RFOJWVPVJKMYFW-RBSFLKMASA-N 1 0 278.352 2.939 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000537292118 394579788 /nfs/dbraw/zinc/57/97/88/394579788.db2.gz VNRYUARTEAUTCC-UHFFFAOYSA-N 1 0 282.303 2.761 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000543469004 394732251 /nfs/dbraw/zinc/73/22/51/394732251.db2.gz KOQJRLHQUKUUPQ-JQWIXIFHSA-N 1 0 293.367 2.866 20 5 CFBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000546810324 394845223 /nfs/dbraw/zinc/84/52/23/394845223.db2.gz AZINOPRNMPPTKI-CYBMUJFWSA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@@H](c1cnccn1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547344495 394860361 /nfs/dbraw/zinc/86/03/61/394860361.db2.gz ZMEQHZLEFMVYRS-NSHDSACASA-N 1 0 284.319 2.504 20 5 CFBDRO COc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000548753013 394950420 /nfs/dbraw/zinc/95/04/20/394950420.db2.gz HRYFFASBMDEGBR-UWVGGRQHSA-N 1 0 250.298 2.586 20 5 CFBDRO Cc1nc(N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000585701991 395101226 /nfs/dbraw/zinc/10/12/26/395101226.db2.gz SCIWAEMOANCYFZ-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(CCO)CCCCC1 ZINC000440881035 296511367 /nfs/dbraw/zinc/51/13/67/296511367.db2.gz AKTYAAHJQDZNEW-UHFFFAOYSA-N 1 0 296.342 2.909 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421009360 397570912 /nfs/dbraw/zinc/57/09/12/397570912.db2.gz PXWNIISELYPOFX-SWLSCSKDSA-N 1 0 277.368 2.682 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045691522 397576982 /nfs/dbraw/zinc/57/69/82/397576982.db2.gz DIZNJMCFICNVKY-QWHCGFSZSA-N 1 0 279.384 2.976 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000340489023 286014065 /nfs/dbraw/zinc/01/40/65/286014065.db2.gz IGFHRNGSWYYYKL-QMTHXVAHSA-N 1 0 264.325 2.670 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668455 286038484 /nfs/dbraw/zinc/03/84/84/286038484.db2.gz GFNLSXNXVGLJKO-KGLIPLIRSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1ccc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000356357458 155238477 /nfs/dbraw/zinc/23/84/77/155238477.db2.gz FYEPFMIXNNHPGG-IUODEOHRSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)(O)CC1 ZINC000182846461 292296061 /nfs/dbraw/zinc/29/60/61/292296061.db2.gz PYJOGZLGKPQVBL-LBPRGKRZSA-N 1 0 278.352 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000123627168 292295559 /nfs/dbraw/zinc/29/55/59/292295559.db2.gz WKIMMOCIHAGJDJ-IUODEOHRSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356867729 155402254 /nfs/dbraw/zinc/40/22/54/155402254.db2.gz MYCJEYONGXEJAV-GXTWGEPZSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000268947744 292296988 /nfs/dbraw/zinc/29/69/88/292296988.db2.gz BRYSRBBWWPSNKW-SRVKXCTJSA-N 1 0 266.341 2.571 20 5 CFBDRO C[C@H]1CCNC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422917288 533676285 /nfs/dbraw/zinc/67/62/85/533676285.db2.gz FVSXOXWOMYVFRY-XJKSGUPXSA-N 1 0 291.395 2.505 20 5 CFBDRO CCN(CCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000343242276 154153518 /nfs/dbraw/zinc/15/35/18/154153518.db2.gz YMSOBAWOXUBFQA-UHFFFAOYSA-N 1 0 269.320 2.512 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000348281473 154394249 /nfs/dbraw/zinc/39/42/49/154394249.db2.gz AKRWMQWXYCKSMC-VXGBXAGGSA-N 1 0 295.383 2.594 20 5 CFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000354477028 154723135 /nfs/dbraw/zinc/72/31/35/154723135.db2.gz MRKLRSWHPJEPLP-CABCVRRESA-N 1 0 292.379 2.932 20 5 CFBDRO CCCC[N@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000355420306 155004608 /nfs/dbraw/zinc/00/46/08/155004608.db2.gz MKJZDYNAUDJKIY-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO COCCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000355485024 155021229 /nfs/dbraw/zinc/02/12/29/155021229.db2.gz LNVRKKZKEMUVJU-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)CC1 ZINC000358209462 155672472 /nfs/dbraw/zinc/67/24/72/155672472.db2.gz XFQNDAQPHMWPDR-LLVKDONJSA-N 1 0 291.351 2.702 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000373759368 157028997 /nfs/dbraw/zinc/02/89/97/157028997.db2.gz HVFBZFSOFGMZQS-LBPRGKRZSA-N 1 0 276.336 2.835 20 5 CFBDRO CO[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374681790 157148475 /nfs/dbraw/zinc/14/84/75/157148475.db2.gz WXWSSVRLOGHRII-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000375285678 157216828 /nfs/dbraw/zinc/21/68/28/157216828.db2.gz DZSSLKCFKKDBDC-OAHLLOKOSA-N 1 0 290.363 2.675 20 5 CFBDRO Cn1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000344605324 162078022 /nfs/dbraw/zinc/07/80/22/162078022.db2.gz SFXVHZBRTWMYCR-GQCTYLIASA-N 1 0 271.320 2.736 20 5 CFBDRO COCCC(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344714782 162105496 /nfs/dbraw/zinc/10/54/96/162105496.db2.gz QOWWOJPJQJTMEH-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C1CC1 ZINC000344788161 162122298 /nfs/dbraw/zinc/12/22/98/162122298.db2.gz DRSGJKQWNYAHCI-IYCSXQJISA-N 1 0 290.363 2.749 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C[C@@H](C)O ZINC000344798083 162123669 /nfs/dbraw/zinc/12/36/69/162123669.db2.gz XQPNTXQZLNMVFC-LRZCHELBSA-N 1 0 292.379 2.995 20 5 CFBDRO Cc1ccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000347010046 162583263 /nfs/dbraw/zinc/58/32/63/162583263.db2.gz SZPIEBIKQYEQBL-OCCSQVGLSA-N 1 0 277.368 2.605 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350087125 163057410 /nfs/dbraw/zinc/05/74/10/163057410.db2.gz DIRCVMOTVCOBQP-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000350355171 163074193 /nfs/dbraw/zinc/07/41/93/163074193.db2.gz MXTLEOBICDNQNR-OCCSQVGLSA-N 1 0 278.352 2.808 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000352768604 163231058 /nfs/dbraw/zinc/23/10/58/163231058.db2.gz JPGGHVUDBGZFMB-NSHDSACASA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352819094 163240983 /nfs/dbraw/zinc/24/09/83/163240983.db2.gz WQCMUSHPTMXNFX-PELKAZGASA-N 1 0 270.329 2.575 20 5 CFBDRO COC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000352964902 163277119 /nfs/dbraw/zinc/27/71/19/163277119.db2.gz HYFGVBIDOHYSHV-ZDUSSCGKSA-N 1 0 298.770 2.805 20 5 CFBDRO C[C@@H]1COCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353036097 163292692 /nfs/dbraw/zinc/29/26/92/163292692.db2.gz FDPKBYWVXMCTNZ-CWNOIDMWSA-N 1 0 290.363 2.870 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)C1CC1 ZINC000353062511 163300570 /nfs/dbraw/zinc/30/05/70/163300570.db2.gz QRFPELRBPUIRCC-WASHYIJTSA-N 1 0 290.363 2.606 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000353131321 163313838 /nfs/dbraw/zinc/31/38/38/163313838.db2.gz YSAGDEHDNNXASC-LBPRGKRZSA-N 1 0 283.397 2.620 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353447330 163368203 /nfs/dbraw/zinc/36/82/03/163368203.db2.gz JPMDCPDMAHBKKK-YPMHNXCESA-N 1 0 293.367 2.636 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284315132 196028212 /nfs/dbraw/zinc/02/82/12/196028212.db2.gz ASEVYDITPGAFOA-LSDHHAIUSA-N 1 0 276.336 2.738 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000020121667 171000887 /nfs/dbraw/zinc/00/08/87/171000887.db2.gz XDWFHNYFTPFUTI-NSHDSACASA-N 1 0 257.293 2.841 20 5 CFBDRO CC(C)COCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020147345 171033611 /nfs/dbraw/zinc/03/36/11/171033611.db2.gz GMCXWEGWPAEJOS-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000020196151 171061043 /nfs/dbraw/zinc/06/10/43/171061043.db2.gz RZDXZOXDDYRZBU-JSGCOSHPSA-N 1 0 266.341 2.797 20 5 CFBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023991619 171429156 /nfs/dbraw/zinc/42/91/56/171429156.db2.gz DBFSQGREOMPROF-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284932232 196160084 /nfs/dbraw/zinc/16/00/84/196160084.db2.gz WGGACUIERALFNF-JKSUJKDBSA-N 1 0 290.363 2.781 20 5 CFBDRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285084429 196193148 /nfs/dbraw/zinc/19/31/48/196193148.db2.gz JSUPZQYPERZCJF-LLVKDONJSA-N 1 0 295.383 2.890 20 5 CFBDRO CCn1cc(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000285095098 196195099 /nfs/dbraw/zinc/19/50/99/196195099.db2.gz QKSKIYXODRMMGU-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO CCn1cc(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000285095089 196195592 /nfs/dbraw/zinc/19/55/92/196195592.db2.gz QKSKIYXODRMMGU-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000035601117 172288884 /nfs/dbraw/zinc/28/88/84/172288884.db2.gz CTGARLXBWFYFFR-MLGOLLRUSA-N 1 0 286.331 2.979 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285525196 196314080 /nfs/dbraw/zinc/31/40/80/196314080.db2.gz ZNMJMQLESBCLDT-PHIMTYICSA-N 1 0 284.743 2.857 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000285609898 196342990 /nfs/dbraw/zinc/34/29/90/196342990.db2.gz QAPMOBLPBXBFSR-AWEZNQCLSA-N 1 0 282.315 2.783 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000037420581 173197676 /nfs/dbraw/zinc/19/76/76/173197676.db2.gz HNJPIDQFYHOWTD-UHFFFAOYSA-N 1 0 269.320 2.734 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000038043618 174050508 /nfs/dbraw/zinc/05/05/08/174050508.db2.gz QFIVZCQSUHFELL-RYUDHWBXSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000038043620 174050680 /nfs/dbraw/zinc/05/06/80/174050680.db2.gz QFIVZCQSUHFELL-NWDGAFQWSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087922 174100591 /nfs/dbraw/zinc/10/05/91/174100591.db2.gz SHAINOOWTVVCPJ-SMDDNHRTSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000038089147 174102598 /nfs/dbraw/zinc/10/25/98/174102598.db2.gz AUJKCQYUXMILMT-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO CC(C)CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038093795 174107526 /nfs/dbraw/zinc/10/75/26/174107526.db2.gz GIXFEVSMDGVXHN-UHFFFAOYSA-N 1 0 266.341 2.999 20 5 CFBDRO CC1CC[NH+](CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000040444310 174263945 /nfs/dbraw/zinc/26/39/45/174263945.db2.gz MIJUKLFOIPJLJQ-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO Cc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000040676013 174373728 /nfs/dbraw/zinc/37/37/28/174373728.db2.gz BIQNMWRIPAJUMI-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO Cc1cccc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000040676190 174373891 /nfs/dbraw/zinc/37/38/91/174373891.db2.gz VBMIJJIJVPMTEP-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc(O)cc2)c1 ZINC000040735770 174389369 /nfs/dbraw/zinc/38/93/69/174389369.db2.gz ZLQRZRUFIYTYQY-UHFFFAOYSA-N 1 0 272.304 2.633 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044685476 175231196 /nfs/dbraw/zinc/23/11/96/175231196.db2.gz RGHARTFMZMAQCM-OCCSQVGLSA-N 1 0 289.379 2.791 20 5 CFBDRO Cc1c(C[NH2+]CCCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000045107109 175308442 /nfs/dbraw/zinc/30/84/42/175308442.db2.gz PDFFJCSTTHLFEU-UHFFFAOYSA-N 1 0 288.351 2.670 20 5 CFBDRO Cc1c(CNC[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134945 175312803 /nfs/dbraw/zinc/31/28/03/175312803.db2.gz JINJZTJNEQUVMU-CQSZACIVSA-N 1 0 291.395 2.723 20 5 CFBDRO Cc1c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000045134944 175312888 /nfs/dbraw/zinc/31/28/88/175312888.db2.gz JINJZTJNEQUVMU-AWEZNQCLSA-N 1 0 291.395 2.723 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c2ccncc21 ZINC000048322191 175426891 /nfs/dbraw/zinc/42/68/91/175426891.db2.gz COUOJMITEPVEKI-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO CC1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361292 175889721 /nfs/dbraw/zinc/88/97/21/175889721.db2.gz UUSLLWVQHFKOKU-GFCCVEGCSA-N 1 0 264.325 2.642 20 5 CFBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000071332319 176125657 /nfs/dbraw/zinc/12/56/57/176125657.db2.gz XTYSUDSKLVOHBU-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000301602105 227606173 /nfs/dbraw/zinc/60/61/73/227606173.db2.gz VYNRZXCFFDUSRL-RYUDHWBXSA-N 1 0 263.341 2.880 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312854525 260213019 /nfs/dbraw/zinc/21/30/19/260213019.db2.gz WOLSHGUHNSPVCQ-GHMZBOCLSA-N 1 0 281.331 2.937 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313069459 260243527 /nfs/dbraw/zinc/24/35/27/260243527.db2.gz SFIZAEPCUBQXER-SMDDNHRTSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000313069510 260243746 /nfs/dbraw/zinc/24/37/46/260243746.db2.gz XNFZTVVZBLEQKV-MFKMUULPSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278248948 263046096 /nfs/dbraw/zinc/04/60/96/263046096.db2.gz OWAQWHKMYVTHHY-UHFFFAOYSA-N 1 0 267.285 2.591 20 5 CFBDRO Cc1nc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000041010754 270227059 /nfs/dbraw/zinc/22/70/59/270227059.db2.gz ARCDYTHEPKSZGJ-UHFFFAOYSA-N 1 0 293.348 2.528 20 5 CFBDRO CC[C@H]([NH2+]CC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397868668 270320176 /nfs/dbraw/zinc/32/01/76/270320176.db2.gz DVJCOLKPMQUAJF-AWEZNQCLSA-N 1 0 277.368 2.730 20 5 CFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193313561 273593517 /nfs/dbraw/zinc/59/35/17/273593517.db2.gz FNBRWFZFZHUVKA-QLFBSQMISA-N 1 0 290.363 2.721 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000450859171 273744299 /nfs/dbraw/zinc/74/42/99/273744299.db2.gz MJRYRFFCEZKIRR-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000222511508 274260555 /nfs/dbraw/zinc/26/05/55/274260555.db2.gz FKIKAWUKGAZWSA-NXEZZACHSA-N 1 0 260.297 2.730 20 5 CFBDRO C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000347041542 274289831 /nfs/dbraw/zinc/28/98/31/274289831.db2.gz LCSSXNOJUQSBMM-CPZUFKQWSA-N 1 0 289.379 2.667 20 5 CFBDRO C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163844918 274302639 /nfs/dbraw/zinc/30/26/39/274302639.db2.gz ZKYMVDJXUXLICV-PWSUYJOCSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279004768 274478121 /nfs/dbraw/zinc/47/81/21/274478121.db2.gz GGEXBMIJLZJJAB-ABAIWWIYSA-N 1 0 292.379 2.925 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000222511449 274518852 /nfs/dbraw/zinc/51/88/52/274518852.db2.gz FKIKAWUKGAZWSA-UWVGGRQHSA-N 1 0 260.297 2.730 20 5 CFBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C[NH3+] ZINC000261935805 274555193 /nfs/dbraw/zinc/55/51/93/274555193.db2.gz MAHSBRBJCWJHLP-HZMBPMFUSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000364599597 275035315 /nfs/dbraw/zinc/03/53/15/275035315.db2.gz AKCOIEUABMQBRO-ZDUSSCGKSA-N 1 0 291.307 2.877 20 5 CFBDRO O[C@H]1C[NH+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1O ZINC000278452418 275059147 /nfs/dbraw/zinc/05/91/47/275059147.db2.gz YDROAGUKWXWCFW-OALUTQOASA-N 1 0 293.366 2.530 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCN2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298198 275860295 /nfs/dbraw/zinc/86/02/95/275860295.db2.gz NWBMFUKIHKHBOC-OAHLLOKOSA-N 1 0 289.379 2.613 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433074010 275861754 /nfs/dbraw/zinc/86/17/54/275861754.db2.gz HNEWLMODQSXBHI-QMTHXVAHSA-N 1 0 276.336 2.696 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000283075220 275954152 /nfs/dbraw/zinc/95/41/52/275954152.db2.gz VCIIGOKZXNULNG-UHFFFAOYSA-N 1 0 266.341 2.626 20 5 CFBDRO CC[NH+](CC)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176950 276097803 /nfs/dbraw/zinc/09/78/03/276097803.db2.gz ILZWUDOPCOXUFT-CYBMUJFWSA-N 1 0 279.384 2.977 20 5 CFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000283135217 276291795 /nfs/dbraw/zinc/29/17/95/276291795.db2.gz NSBYUTUWCNHHPC-IJLUTSLNSA-N 1 0 294.351 2.833 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129572191 276427374 /nfs/dbraw/zinc/42/73/74/276427374.db2.gz JPICVHMDHKYFQJ-SNPRPXQTSA-N 1 0 292.379 2.667 20 5 CFBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192736463 277064669 /nfs/dbraw/zinc/06/46/69/277064669.db2.gz JKGFLNCYRISSSG-GDBMZVCRSA-N 1 0 289.379 2.656 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292649850 277072513 /nfs/dbraw/zinc/07/25/13/277072513.db2.gz BOPHFBNSPSWTGX-OAHLLOKOSA-N 1 0 293.342 2.656 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000268816375 277084497 /nfs/dbraw/zinc/08/44/97/277084497.db2.gz IMGMHDVMQMFGLL-WFASDCNBSA-N 1 0 275.352 2.515 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292649843 277087050 /nfs/dbraw/zinc/08/70/50/277087050.db2.gz BOPHFBNSPSWTGX-HNNXBMFYSA-N 1 0 293.342 2.656 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000364300893 277146719 /nfs/dbraw/zinc/14/67/19/277146719.db2.gz HCDQRWFVSWHULY-YGRLFVJLSA-N 1 0 295.770 2.779 20 5 CFBDRO CO[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000170819817 277337078 /nfs/dbraw/zinc/33/70/78/277337078.db2.gz OOFFSOVFFSDWSI-RISCZKNCSA-N 1 0 264.325 2.767 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000338643617 277938560 /nfs/dbraw/zinc/93/85/60/277938560.db2.gz WBYNRSUPYXGPKZ-GFCCVEGCSA-N 1 0 295.383 2.992 20 5 CFBDRO CC(C)c1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346649164 278037023 /nfs/dbraw/zinc/03/70/23/278037023.db2.gz GMRSUUJQTMHIQS-JSGCOSHPSA-N 1 0 291.395 2.887 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295196755 278234100 /nfs/dbraw/zinc/23/41/00/278234100.db2.gz YAIHWKURGKFFQH-ZIAGYGMSSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296040304 278285047 /nfs/dbraw/zinc/28/50/47/278285047.db2.gz NYUTWSQFHMKELA-NRUUGDAUSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000037177177 278364556 /nfs/dbraw/zinc/36/45/56/278364556.db2.gz KVHCWRITJUNFBI-WDMOLILDSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000272153972 278374163 /nfs/dbraw/zinc/37/41/63/278374163.db2.gz RLYSBEVTQRCBDB-IJLUTSLNSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363747742 278374903 /nfs/dbraw/zinc/37/49/03/278374903.db2.gz GIZOUVONZHFMMI-ZWNOBZJWSA-N 1 0 286.335 2.526 20 5 CFBDRO CCN(CC)[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077624 279145485 /nfs/dbraw/zinc/14/54/85/279145485.db2.gz WESYGENVIZCDQA-KBPBESRZSA-N 1 0 293.411 2.846 20 5 CFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000358173074 279466881 /nfs/dbraw/zinc/46/68/81/279466881.db2.gz IYNNGJGKWQYTMP-DZGCQCFKSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000038044610 279476508 /nfs/dbraw/zinc/47/65/08/279476508.db2.gz MMOCLBFDFXYPIK-RYUDHWBXSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000269026505 279554964 /nfs/dbraw/zinc/55/49/64/279554964.db2.gz CSTDNZFRERDSSL-GOPGUHFVSA-N 1 0 298.342 2.904 20 5 CFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000283135223 279609160 /nfs/dbraw/zinc/60/91/60/279609160.db2.gz NSBYUTUWCNHHPC-WOPDTQHZSA-N 1 0 294.351 2.833 20 5 CFBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000360264124 279635141 /nfs/dbraw/zinc/63/51/41/279635141.db2.gz CFOUHQHXQSYVEJ-QWRGUYRKSA-N 1 0 280.372 2.633 20 5 CFBDRO C[C@H](CC1CC1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000070102371 280481325 /nfs/dbraw/zinc/48/13/25/280481325.db2.gz MHGQPEPKGWQCOH-LLVKDONJSA-N 1 0 264.325 2.752 20 5 CFBDRO CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000126500669 280654005 /nfs/dbraw/zinc/65/40/05/280654005.db2.gz IAMDSIRNEXWPQL-CYBMUJFWSA-N 1 0 293.367 2.550 20 5 CFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119962171 280747699 /nfs/dbraw/zinc/74/76/99/280747699.db2.gz DHQILTJENQVSNL-SRVKXCTJSA-N 1 0 293.367 2.549 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000151193802 280801078 /nfs/dbraw/zinc/80/10/78/280801078.db2.gz CSCBEZVCAKNZIR-STQMWFEESA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCSCCCO ZINC000151210657 280801276 /nfs/dbraw/zinc/80/12/76/280801276.db2.gz KLMAJHBQDAACFJ-GFCCVEGCSA-N 1 0 298.408 2.669 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189930840 280881787 /nfs/dbraw/zinc/88/17/87/280881787.db2.gz YDNGIHPMDBMUSM-WFASDCNBSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000193609245 280915574 /nfs/dbraw/zinc/91/55/74/280915574.db2.gz LZCNPPVNFYQVFA-SECBINFHSA-N 1 0 274.267 2.875 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000451816137 281023557 /nfs/dbraw/zinc/02/35/57/281023557.db2.gz YIMBDRDBIXBEPQ-FZMZJTMJSA-N 1 0 278.352 2.979 20 5 CFBDRO CCC[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249286374 281054967 /nfs/dbraw/zinc/05/49/67/281054967.db2.gz POUGXSRPPUSXRF-NWDGAFQWSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])s1 ZINC000249355247 281055772 /nfs/dbraw/zinc/05/57/72/281055772.db2.gz AAGOTILASYMVFV-AXFHLTTASA-N 1 0 298.412 2.830 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000252729028 281077593 /nfs/dbraw/zinc/07/75/93/281077593.db2.gz DWCWLLITKXACDP-MPKXVKKWSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278805763 281129183 /nfs/dbraw/zinc/12/91/83/281129183.db2.gz ROZRWUSYJDUIDZ-MLGOLLRUSA-N 1 0 292.379 2.970 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)COC1 ZINC000393956999 281193992 /nfs/dbraw/zinc/19/39/92/281193992.db2.gz HTLHLFNFJCLCPP-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396801646 281198328 /nfs/dbraw/zinc/19/83/28/281198328.db2.gz JEHRBDYWTHNUKK-JQWIXIFHSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000397824717 281202563 /nfs/dbraw/zinc/20/25/63/281202563.db2.gz GBOHAYVQBPCKCJ-JQWIXIFHSA-N 1 0 266.366 2.887 20 5 CFBDRO Cc1cccc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302524413 281228102 /nfs/dbraw/zinc/22/81/02/281228102.db2.gz ZHMMMCPEVCRWOB-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cccc(NCCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000344053162 281244215 /nfs/dbraw/zinc/24/42/15/281244215.db2.gz VLARNQYMHHHKOF-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO CC[NH+]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000459454995 281265901 /nfs/dbraw/zinc/26/59/01/281265901.db2.gz DRJGRZMFZKDGOB-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)C(C)C ZINC000519559287 281309038 /nfs/dbraw/zinc/30/90/38/281309038.db2.gz QGKCIGIUIQVWEB-COSNYCCFSA-N 1 0 292.379 2.852 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCO)CC1 ZINC000525271403 281314036 /nfs/dbraw/zinc/31/40/36/281314036.db2.gz WRRWQZQUUHZHGF-LBPRGKRZSA-N 1 0 278.352 2.750 20 5 CFBDRO COc1cc(CN2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000526989380 281322358 /nfs/dbraw/zinc/32/23/58/281322358.db2.gz RVFJIKXWDAMVNV-UWVGGRQHSA-N 1 0 280.324 2.595 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000527198007 281326036 /nfs/dbraw/zinc/32/60/36/281326036.db2.gz UCXPINIATOJUAI-WDEREUQCSA-N 1 0 252.314 2.589 20 5 CFBDRO COc1ccc(OCC[NH2+]C2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000541594587 281607135 /nfs/dbraw/zinc/60/71/35/281607135.db2.gz DUIIZCPLYQCEPP-UHFFFAOYSA-N 1 0 292.335 2.514 20 5 CFBDRO CC(C)OC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000548310179 281777633 /nfs/dbraw/zinc/77/76/33/281777633.db2.gz ZIADCTQVKOPQFE-UHFFFAOYSA-N 1 0 294.351 2.519 20 5 CFBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000548487729 281789143 /nfs/dbraw/zinc/78/91/43/281789143.db2.gz PNGNKNSQDWVASF-TZMCWYRMSA-N 1 0 280.372 2.740 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)C[NH+](C)C ZINC000553706914 281879942 /nfs/dbraw/zinc/87/99/42/281879942.db2.gz ZSLRFPUDGRQXMI-VIFPVBQESA-N 1 0 271.748 2.919 20 5 CFBDRO CC[C@@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554083245 281885484 /nfs/dbraw/zinc/88/54/84/281885484.db2.gz MLDHMIZXJQGUPH-RISCZKNCSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@@H]1C[C@H]1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561987173 282064414 /nfs/dbraw/zinc/06/44/14/282064414.db2.gz QNFWAJBYICZNQI-PWSUYJOCSA-N 1 0 273.336 2.864 20 5 CFBDRO C[NH+](C)CCN(c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000339967031 289151795 /nfs/dbraw/zinc/15/17/95/289151795.db2.gz DQQPGJFJQDHYRC-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158261458 289973215 /nfs/dbraw/zinc/97/32/15/289973215.db2.gz OHHFMFGJMXPVKB-LBPRGKRZSA-N 1 0 266.341 2.980 20 5 CFBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000424337867 290005779 /nfs/dbraw/zinc/00/57/79/290005779.db2.gz SLKWCAHVEXCSOE-ZLKJLUDKSA-N 1 0 263.341 2.515 20 5 CFBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000562467947 290045593 /nfs/dbraw/zinc/04/55/93/290045593.db2.gz KSBYDCYDUDAAKS-ZFWWWQNUSA-N 1 0 278.352 2.985 20 5 CFBDRO CCOCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418904 290147142 /nfs/dbraw/zinc/14/71/42/290147142.db2.gz REROIXJFQJBFEY-CYBMUJFWSA-N 1 0 264.325 2.598 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(CO)c1 ZINC000563821996 290176856 /nfs/dbraw/zinc/17/68/56/290176856.db2.gz ZKPAQXCBRDINSB-INIZCTEOSA-N 1 0 298.342 2.864 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CN1CCCCC1 ZINC000564365305 290206115 /nfs/dbraw/zinc/20/61/15/290206115.db2.gz XYFASZTVZIPWNY-CQSZACIVSA-N 1 0 291.395 2.867 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000564565499 290215639 /nfs/dbraw/zinc/21/56/39/290215639.db2.gz VKIIHOJMFKAGJK-CYBMUJFWSA-N 1 0 294.351 2.603 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566130572 290351467 /nfs/dbraw/zinc/35/14/67/290351467.db2.gz QWLFCCUAMIFCPO-ZDUSSCGKSA-N 1 0 291.351 2.702 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000189082496 304800651 /nfs/dbraw/zinc/80/06/51/304800651.db2.gz ZWJAIMYLIUXSFR-ZDUSSCGKSA-N 1 0 293.342 2.799 20 5 CFBDRO C[C@@H]([NH3+])C[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000320303574 322437356 /nfs/dbraw/zinc/43/73/56/322437356.db2.gz JFQQQZNTKHDBNS-RQJHMYQMSA-N 1 0 292.261 2.546 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H](C)O ZINC000570266927 322523004 /nfs/dbraw/zinc/52/30/04/322523004.db2.gz MXDBLCWVLSZIQO-NEPJUHHUSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1cc(NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000570388812 322529684 /nfs/dbraw/zinc/52/96/84/322529684.db2.gz BSJHQUYMBOJTEY-UHFFFAOYSA-N 1 0 275.352 2.944 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570941300 322561118 /nfs/dbraw/zinc/56/11/18/322561118.db2.gz KLBOZUATDFHAPE-ZDUSSCGKSA-N 1 0 278.352 2.844 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCCO ZINC000571627587 322589982 /nfs/dbraw/zinc/58/99/82/322589982.db2.gz YPTLHVIMKFJODM-LBPRGKRZSA-N 1 0 266.341 2.716 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000572303483 322614387 /nfs/dbraw/zinc/61/43/87/322614387.db2.gz LFWHKXFDBLIXHW-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO C[C@@H](CCCCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572975239 322639569 /nfs/dbraw/zinc/63/95/69/322639569.db2.gz PWTGTARQGSWTOB-SMDDNHRTSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000574927176 322711946 /nfs/dbraw/zinc/71/19/46/322711946.db2.gz ZKALUZOZAOXXLU-CABZTGNLSA-N 1 0 264.350 2.677 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182303900 323855465 /nfs/dbraw/zinc/85/54/65/323855465.db2.gz TYUSHURPLZQUHD-JSGCOSHPSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccno1 ZINC000577610382 324757974 /nfs/dbraw/zinc/75/79/74/324757974.db2.gz GPCPECSDLILMEO-LLVKDONJSA-N 1 0 275.308 2.694 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000579110865 324920908 /nfs/dbraw/zinc/92/09/08/324920908.db2.gz LMRQSOWGMOSOHW-XYPYZODXSA-N 1 0 282.315 2.878 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccnc1 ZINC000579977395 324997152 /nfs/dbraw/zinc/99/71/52/324997152.db2.gz CYDZRLBSJNAHOJ-CQSZACIVSA-N 1 0 269.304 2.767 20 5 CFBDRO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000580960419 325078304 /nfs/dbraw/zinc/07/83/04/325078304.db2.gz MRWRQMUPWWOYOE-UHFFFAOYSA-N 1 0 279.340 2.654 20 5 CFBDRO CCN1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834489 325152457 /nfs/dbraw/zinc/15/24/57/325152457.db2.gz QJSIYCCKNGBYBI-WFASDCNBSA-N 1 0 289.379 2.656 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000582042632 325171323 /nfs/dbraw/zinc/17/13/23/325171323.db2.gz NPNQNBWVTVZVTO-SOUVJXGZSA-N 1 0 276.336 2.739 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC1(C)C ZINC000583880231 325316834 /nfs/dbraw/zinc/31/68/34/325316834.db2.gz RCCFCNNYWCULDA-CYBMUJFWSA-N 1 0 291.351 2.620 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000311422759 519629556 /nfs/dbraw/zinc/62/95/56/519629556.db2.gz KZTKWMRWYRUBJF-VIFPVBQESA-N 1 0 286.763 2.784 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730691 520790166 /nfs/dbraw/zinc/79/01/66/520790166.db2.gz YCZZKACNIIIGEV-IUODEOHRSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[C@@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054472404 521994612 /nfs/dbraw/zinc/99/46/12/521994612.db2.gz MUEPEZXHAZSHEX-SNVBAGLBSA-N 1 0 252.314 2.739 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414511530 533874828 /nfs/dbraw/zinc/87/48/28/533874828.db2.gz GXRMNFVUAMSPPJ-FXPVBKGRSA-N 1 0 270.354 2.559 20 5 CFBDRO Cc1ccc(CNC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414832668 534062671 /nfs/dbraw/zinc/06/26/71/534062671.db2.gz OOBCBIIGKLRJOF-OAHLLOKOSA-N 1 0 285.347 2.693 20 5 CFBDRO CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237122160 519992969 /nfs/dbraw/zinc/99/29/69/519992969.db2.gz OIOWNTBAWWWLCB-UHFFFAOYSA-N 1 0 276.292 2.973 20 5 CFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000083418189 520469503 /nfs/dbraw/zinc/46/95/03/520469503.db2.gz KCXLKBKQYMIOMI-UHFFFAOYSA-N 1 0 296.392 2.801 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000085397763 520575570 /nfs/dbraw/zinc/57/55/70/520575570.db2.gz PTSNBLSHWXPKBN-GJZGRUSLSA-N 1 0 292.379 2.931 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1nc(C)ccc1[N+](=O)[O-] ZINC000190966225 520593414 /nfs/dbraw/zinc/59/34/14/520593414.db2.gz VRXHDJNVDHCDPE-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338646287 520859354 /nfs/dbraw/zinc/85/93/54/520859354.db2.gz BQVYEXHVCYRNLG-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2F)CCCCCC1 ZINC000414860198 534549984 /nfs/dbraw/zinc/54/99/84/534549984.db2.gz OUYLCYXXADKVPB-UHFFFAOYSA-N 1 0 295.358 2.875 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000314149326 521564709 /nfs/dbraw/zinc/56/47/09/521564709.db2.gz KSLBAQVYSIPUGO-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218840784 521649510 /nfs/dbraw/zinc/64/95/10/521649510.db2.gz XPNFGSZMBMOTPA-LBPRGKRZSA-N 1 0 263.341 2.799 20 5 CFBDRO C[NH+](C)Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000067976741 521903888 /nfs/dbraw/zinc/90/38/88/521903888.db2.gz YCCUEBGVVGTROI-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000142110318 521938623 /nfs/dbraw/zinc/93/86/23/521938623.db2.gz FIXVGTLPNMQKKE-SRVKXCTJSA-N 1 0 293.367 2.946 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045656984 522206120 /nfs/dbraw/zinc/20/61/20/522206120.db2.gz AVULJBRTBIAIKZ-QWRGUYRKSA-N 1 0 252.314 2.528 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000049093624 522360408 /nfs/dbraw/zinc/36/04/08/522360408.db2.gz SDFMMLSOGHXPAV-NEPJUHHUSA-N 1 0 266.341 2.998 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000255593895 522406792 /nfs/dbraw/zinc/40/67/92/522406792.db2.gz YMGGRGDQGRHIOK-VCDPDADVSA-N 1 0 290.363 2.966 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000361747657 522477793 /nfs/dbraw/zinc/47/77/93/522477793.db2.gz NRYNWMKGXYQABQ-OCCSQVGLSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000228942017 522730665 /nfs/dbraw/zinc/73/06/65/522730665.db2.gz RGPBLBVJEDNIFD-RISCZKNCSA-N 1 0 293.367 2.549 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000182442652 522847556 /nfs/dbraw/zinc/84/75/56/522847556.db2.gz HGIMNIKNJVMSAP-ZWNOBZJWSA-N 1 0 252.314 2.670 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000360997853 523146075 /nfs/dbraw/zinc/14/60/75/523146075.db2.gz XONBRADCJJXLEC-JTQLQIEISA-N 1 0 297.403 2.508 20 5 CFBDRO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000073616804 523740144 /nfs/dbraw/zinc/74/01/44/523740144.db2.gz MFHFOOOECHYALJ-UHFFFAOYSA-N 1 0 296.367 2.708 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000311565221 523922625 /nfs/dbraw/zinc/92/26/25/523922625.db2.gz DLUHATSJHRIOFV-JTQLQIEISA-N 1 0 269.320 2.876 20 5 CFBDRO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000061555327 524037103 /nfs/dbraw/zinc/03/71/03/524037103.db2.gz VSXUZMZULKZBJW-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO COc1ccc(C[NH2+]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000063100080 524069977 /nfs/dbraw/zinc/06/99/77/524069977.db2.gz FCQPDVRKFUJTRL-UHFFFAOYSA-N 1 0 278.230 2.645 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000227831072 524086595 /nfs/dbraw/zinc/08/65/95/524086595.db2.gz LJVSQVBLTJOOCL-ZIAGYGMSSA-N 1 0 294.351 2.507 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000227831090 524093263 /nfs/dbraw/zinc/09/32/63/524093263.db2.gz LJVSQVBLTJOOCL-KBPBESRZSA-N 1 0 294.351 2.507 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000227831080 524093793 /nfs/dbraw/zinc/09/37/93/524093793.db2.gz LJVSQVBLTJOOCL-UONOGXRCSA-N 1 0 294.351 2.507 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C[NH+](C)C ZINC000314135438 524508152 /nfs/dbraw/zinc/50/81/52/524508152.db2.gz FRQAVDCGTJTJCT-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@@H](CN1CCCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049501357 524605059 /nfs/dbraw/zinc/60/50/59/524605059.db2.gz QTYXFRANHFDXKG-AWEZNQCLSA-N 1 0 291.395 2.601 20 5 CFBDRO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000313966700 524761008 /nfs/dbraw/zinc/76/10/08/524761008.db2.gz GSRUUMGZAUDVHR-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156164376 524929832 /nfs/dbraw/zinc/92/98/32/524929832.db2.gz DXMRZNYNFLWFHH-VHSXEESVSA-N 1 0 267.304 2.629 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173495492 524954921 /nfs/dbraw/zinc/95/49/21/524954921.db2.gz OORYEZSVRBWLJY-LBPRGKRZSA-N 1 0 294.351 2.857 20 5 CFBDRO CC(=O)c1cc(NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000342011061 534823249 /nfs/dbraw/zinc/82/32/49/534823249.db2.gz QICODGOIUAFIDM-HNNXBMFYSA-N 1 0 291.351 2.550 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000230061479 525363659 /nfs/dbraw/zinc/36/36/59/525363659.db2.gz QSUPDHJUCJMGMA-NWDGAFQWSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000062726285 525368802 /nfs/dbraw/zinc/36/88/02/525368802.db2.gz UTVBOMDWSVFLPR-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000049574428 525449045 /nfs/dbraw/zinc/44/90/45/525449045.db2.gz DTVSCWWSLOTLRG-CYBMUJFWSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000230061307 525457979 /nfs/dbraw/zinc/45/79/79/525457979.db2.gz JPNZYWRPXZSDFH-VXGBXAGGSA-N 1 0 264.325 2.672 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000300635518 525462666 /nfs/dbraw/zinc/46/26/66/525462666.db2.gz LACDKXFACCENEW-KBPBESRZSA-N 1 0 294.351 2.507 20 5 CFBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000305143717 525701327 /nfs/dbraw/zinc/70/13/27/525701327.db2.gz MXXCMPZXDUBTOE-NEPJUHHUSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000087016187 525916056 /nfs/dbraw/zinc/91/60/56/525916056.db2.gz GIPFADUDTDMGIE-LBPRGKRZSA-N 1 0 278.352 2.859 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230411576 525919723 /nfs/dbraw/zinc/91/97/23/525919723.db2.gz CZRYFUKXBXVUNC-STQMWFEESA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000366531627 526059383 /nfs/dbraw/zinc/05/93/83/526059383.db2.gz IPSUOCKCDIYGBD-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH+](C)C)CC1 ZINC000193840872 526085002 /nfs/dbraw/zinc/08/50/02/526085002.db2.gz YAQWZEOFWLXEIO-GFCCVEGCSA-N 1 0 277.368 2.682 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245519623 526089728 /nfs/dbraw/zinc/08/97/28/526089728.db2.gz ITSFGMBYRQLMPD-UKRRQHHQSA-N 1 0 291.395 2.990 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139028 536473526 /nfs/dbraw/zinc/47/35/26/536473526.db2.gz ZOYOCFXJGBJNTM-GOEBONIOSA-N 1 0 289.379 2.511 20 5 CFBDRO Cc1nc(NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000366528664 526995860 /nfs/dbraw/zinc/99/58/60/526995860.db2.gz FVIGIOFSRPRQMI-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000314789472 527351261 /nfs/dbraw/zinc/35/12/61/527351261.db2.gz MXWRVTABAIZCLA-RYUDHWBXSA-N 1 0 296.342 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCCC2)c(F)c1 ZINC000313566789 527351829 /nfs/dbraw/zinc/35/18/29/527351829.db2.gz VDLRHLGWVGIQRV-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCSC1 ZINC000310705605 527400290 /nfs/dbraw/zinc/40/02/90/527400290.db2.gz CNRNFQJAOKFRNG-LLVKDONJSA-N 1 0 266.366 2.828 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000425989119 527529137 /nfs/dbraw/zinc/52/91/37/527529137.db2.gz JDSIVZRRRLRQDS-OSEPDQNXSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414831543 528308176 /nfs/dbraw/zinc/30/81/76/528308176.db2.gz CKRINPJDTKQRHI-NSHDSACASA-N 1 0 285.775 2.711 20 5 CFBDRO CCOc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420291561 528326696 /nfs/dbraw/zinc/32/66/96/528326696.db2.gz VTHNDTBKTWTECF-NEPJUHHUSA-N 1 0 293.367 2.923 20 5 CFBDRO CCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175176299 528429572 /nfs/dbraw/zinc/42/95/72/528429572.db2.gz KGQNMBVONYNYKG-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO CC(C)C[C@H](C[NH3+])N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265338 528519546 /nfs/dbraw/zinc/51/95/46/528519546.db2.gz QUERPOLDCDTCNP-CZUORRHYSA-N 1 0 291.395 2.935 20 5 CFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415411206 528816234 /nfs/dbraw/zinc/81/62/34/528816234.db2.gz BCNPNHCMGGFFLW-LBPRGKRZSA-N 1 0 294.355 2.542 20 5 CFBDRO CCC([NH3+])(CC)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414703535 528945577 /nfs/dbraw/zinc/94/55/77/528945577.db2.gz MDKIXHRLCWIAGT-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000421370686 529321113 /nfs/dbraw/zinc/32/11/13/529321113.db2.gz CFDLQZPILGQXEF-ZFWWWQNUSA-N 1 0 278.352 2.950 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000452018864 535754858 /nfs/dbraw/zinc/75/48/58/535754858.db2.gz MEPWTJGMMLTWIA-TZMCWYRMSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449651295 536011065 /nfs/dbraw/zinc/01/10/65/536011065.db2.gz VQYXZSHNBICXAK-ZLDLUXBVSA-N 1 0 280.368 2.665 20 5 CFBDRO CCc1cc(NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000450359438 536088667 /nfs/dbraw/zinc/08/86/67/536088667.db2.gz WKBRZQXARBHJGK-UHFFFAOYSA-N 1 0 271.320 2.629 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000355363713 536813465 /nfs/dbraw/zinc/81/34/65/536813465.db2.gz IJTSXTOKQYCMBJ-DDTOSNHZSA-N 1 0 278.352 2.744 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000731678416 574127154 /nfs/dbraw/zinc/12/71/54/574127154.db2.gz MAKURTXBFHHMBZ-DANOYGIBSA-N 1 0 298.342 2.931 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000746047337 574131988 /nfs/dbraw/zinc/13/19/88/574131988.db2.gz MFPTXVGULLCZNZ-LDYMZIIASA-N 1 0 292.257 2.823 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000746049998 574132253 /nfs/dbraw/zinc/13/22/53/574132253.db2.gz ZYSQFEMSHPYTBJ-STQMWFEESA-N 1 0 277.368 2.730 20 5 CFBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000733191082 574210273 /nfs/dbraw/zinc/21/02/73/574210273.db2.gz OXWONSZSJHZXIE-GFCCVEGCSA-N 1 0 295.770 2.921 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000729681864 574227548 /nfs/dbraw/zinc/22/75/48/574227548.db2.gz LLEVWCWFGMJTMC-CYBMUJFWSA-N 1 0 277.368 2.512 20 5 CFBDRO COC(=O)CC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000741255461 574284771 /nfs/dbraw/zinc/28/47/71/574284771.db2.gz XDUKYXZRFBAJSB-VURMDHGXSA-N 1 0 292.335 2.539 20 5 CFBDRO CCC[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000735871446 574340199 /nfs/dbraw/zinc/34/01/99/574340199.db2.gz JRBRUHXCCQQQIE-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000934018059 617867979 /nfs/dbraw/zinc/86/79/79/617867979.db2.gz LVQYICZNAJRDFE-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000934234822 617970965 /nfs/dbraw/zinc/97/09/65/617970965.db2.gz PKXSPAFBEVEYMC-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000892222057 618010207 /nfs/dbraw/zinc/01/02/07/618010207.db2.gz MXUIFXZYPVEDGD-NSHDSACASA-N 1 0 294.351 2.787 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934382203 618024798 /nfs/dbraw/zinc/02/47/98/618024798.db2.gz QNVWPXRTQWZLHA-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000049963385 618054822 /nfs/dbraw/zinc/05/48/22/618054822.db2.gz NJSKWBCQWODGCY-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000050015758 618060847 /nfs/dbraw/zinc/06/08/47/618060847.db2.gz NELGZTIMOGUIPB-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000580930658 618141205 /nfs/dbraw/zinc/14/12/05/618141205.db2.gz WYASJXQTGRLJLV-AWEZNQCLSA-N 1 0 283.331 2.979 20 5 CFBDRO Cc1cc(-c2noc(CCC(C)(C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843238983 618210760 /nfs/dbraw/zinc/21/07/60/618210760.db2.gz BWHWSXRWFYAIEC-UHFFFAOYSA-N 1 0 290.323 2.623 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000892403264 618228559 /nfs/dbraw/zinc/22/85/59/618228559.db2.gz KSEOVFWHQPKYOA-LLVKDONJSA-N 1 0 280.324 2.539 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000894175235 618427383 /nfs/dbraw/zinc/42/73/83/618427383.db2.gz ZLQPWMZUPURXID-QWRGUYRKSA-N 1 0 294.351 2.835 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892509867 618434146 /nfs/dbraw/zinc/43/41/46/618434146.db2.gz DEELKDRNVBOILX-JQWIXIFHSA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CSC1 ZINC000877634577 618451414 /nfs/dbraw/zinc/45/14/14/618451414.db2.gz MVDOLYCXYGSRMC-JTQLQIEISA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893357863 618466830 /nfs/dbraw/zinc/46/68/30/618466830.db2.gz UPDNIPIZCVJASV-LLVKDONJSA-N 1 0 297.786 2.822 20 5 CFBDRO CC1=NO[C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000895304338 618524598 /nfs/dbraw/zinc/52/45/98/618524598.db2.gz NIUFXNJDJHHAEP-SMDDNHRTSA-N 1 0 291.351 2.670 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000236063018 618604780 /nfs/dbraw/zinc/60/47/80/618604780.db2.gz XNUYMLAHUUDEAD-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOCC1CC1 ZINC000236062585 618604818 /nfs/dbraw/zinc/60/48/18/618604818.db2.gz BLJQOYDJJOARFX-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO Cc1cc(F)ncc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000893066062 618818922 /nfs/dbraw/zinc/81/89/22/618818922.db2.gz GASSFWPYGATIIH-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000893069389 618819540 /nfs/dbraw/zinc/81/95/40/618819540.db2.gz SHRDHNHTHLRSCK-UHFFFAOYSA-N 1 0 276.292 2.529 20 5 CFBDRO [NH3+]CC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000312234254 618909963 /nfs/dbraw/zinc/90/99/63/618909963.db2.gz IHVKKISLYABRTE-UHFFFAOYSA-N 1 0 285.294 2.708 20 5 CFBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093097802 618979206 /nfs/dbraw/zinc/97/92/06/618979206.db2.gz KEQQKKXHRTYHEO-UHFFFAOYSA-N 1 0 286.759 2.841 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261957349 619351369 /nfs/dbraw/zinc/35/13/69/619351369.db2.gz OTNZAKYOBJOPEJ-LBPRGKRZSA-N 1 0 297.786 2.680 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CC2=CCCCC2)c1[N+](=O)[O-] ZINC000894664639 619438442 /nfs/dbraw/zinc/43/84/42/619438442.db2.gz WJHCWDPIIBSDBW-UHFFFAOYSA-N 1 0 292.335 2.899 20 5 CFBDRO COC(=O)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000894793422 619470625 /nfs/dbraw/zinc/47/06/25/619470625.db2.gz GFNDOEQBPDHXFA-ZDUSSCGKSA-N 1 0 294.351 2.520 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000894849153 619482808 /nfs/dbraw/zinc/48/28/08/619482808.db2.gz AVXMCVMCOIIZLS-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO C[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000895565000 619559257 /nfs/dbraw/zinc/55/92/57/619559257.db2.gz RXEMVNMMYZSVBA-SOFGYWHQSA-N 1 0 289.379 2.634 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737282 619597162 /nfs/dbraw/zinc/59/71/62/619597162.db2.gz PCAPUGFVMMWNJK-ZWNOBZJWSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000895737246 619597455 /nfs/dbraw/zinc/59/74/55/619597455.db2.gz OEHUZGJBEYEHME-IINYFYTJSA-N 1 0 286.335 2.648 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737643 619597843 /nfs/dbraw/zinc/59/78/43/619597843.db2.gz QKERWWCGTHVIMU-SCZZXKLOSA-N 1 0 299.758 2.761 20 5 CFBDRO CCn1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000895832308 619619339 /nfs/dbraw/zinc/61/93/39/619619339.db2.gz FUWHTEGEZPQYTM-UHFFFAOYSA-N 1 0 288.351 2.718 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](C)CC1 ZINC000896580414 619766340 /nfs/dbraw/zinc/76/63/40/619766340.db2.gz UFMVIMKAHNBQKI-GFCCVEGCSA-N 1 0 278.352 2.822 20 5 CFBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000896924735 619892358 /nfs/dbraw/zinc/89/23/58/619892358.db2.gz UGGPRKKDVVZMFH-OAHLLOKOSA-N 1 0 278.352 2.686 20 5 CFBDRO Cc1cc(N2CCC23CC[NH+](C)CC3)c([N+](=O)[O-])s1 ZINC000897133514 619937492 /nfs/dbraw/zinc/93/74/92/619937492.db2.gz KDENVTBQUHJYQT-UHFFFAOYSA-N 1 0 281.381 2.639 20 5 CFBDRO C[NH+](C)CC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000054269592 619968603 /nfs/dbraw/zinc/96/86/03/619968603.db2.gz PWDPUISUONMODR-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155562 619994193 /nfs/dbraw/zinc/99/41/93/619994193.db2.gz WHVUEWAMRZAACJ-GJZGRUSLSA-N 1 0 292.379 2.788 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000925230828 620053253 /nfs/dbraw/zinc/05/32/53/620053253.db2.gz PSZRZIHVVCNHET-MFKMUULPSA-N 1 0 289.339 2.525 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925232542 620056959 /nfs/dbraw/zinc/05/69/59/620056959.db2.gz XNOBNXYHIYPYBD-IMJJTQAJSA-N 1 0 289.379 2.730 20 5 CFBDRO CC(C)[C@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000798819608 620095365 /nfs/dbraw/zinc/09/53/65/620095365.db2.gz CEFBQBWKIVYJPT-SMDDNHRTSA-N 1 0 294.351 2.785 20 5 CFBDRO Cc1ncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000897459825 620176210 /nfs/dbraw/zinc/17/62/10/620176210.db2.gz CIXBJAWOOUTICX-LLVKDONJSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000897461727 620176672 /nfs/dbraw/zinc/17/66/72/620176672.db2.gz WNUYQVFJXZXPRJ-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1COC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897460150 620176839 /nfs/dbraw/zinc/17/68/39/620176839.db2.gz FHXIZYYVRGHDQT-NEPJUHHUSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000897465421 620176957 /nfs/dbraw/zinc/17/69/57/620176957.db2.gz VXQMUKSYTXKRLQ-BXUZGUMPSA-N 1 0 278.352 2.713 20 5 CFBDRO CCOC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463656 620177025 /nfs/dbraw/zinc/17/70/25/620177025.db2.gz AZTVWXWVITWFIR-VXGBXAGGSA-N 1 0 266.341 2.713 20 5 CFBDRO COC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897466480 620177335 /nfs/dbraw/zinc/17/73/35/620177335.db2.gz VQAMTLPXMZPULT-SMDDNHRTSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cc[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000897466577 620177372 /nfs/dbraw/zinc/17/73/72/620177372.db2.gz XUAXEBMLKAHVEG-NSHDSACASA-N 1 0 259.309 2.816 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c(F)c1 ZINC000897510481 620198461 /nfs/dbraw/zinc/19/84/61/620198461.db2.gz UQBWJGHQHOSGCW-UKRRQHHQSA-N 1 0 294.326 2.781 20 5 CFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841031789 620258503 /nfs/dbraw/zinc/25/85/03/620258503.db2.gz XXVWZZVTOVPCNU-HZMBPMFUSA-N 1 0 297.786 2.855 20 5 CFBDRO COc1ccc2cc(CN(C)CC[N+](=O)[O-])ccc2c1 ZINC000929179659 620407494 /nfs/dbraw/zinc/40/74/94/620407494.db2.gz IQMDAQNFZLIYSI-UHFFFAOYSA-N 1 0 274.320 2.557 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCSCC2)cc1 ZINC000898442500 620465731 /nfs/dbraw/zinc/46/57/31/620465731.db2.gz OEGQUJTYEMJWFL-UHFFFAOYSA-N 1 0 296.392 2.597 20 5 CFBDRO CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000927146160 620492326 /nfs/dbraw/zinc/49/23/26/620492326.db2.gz CIBPPVJEAUEXLM-UEKVPHQBSA-N 1 0 290.363 2.678 20 5 CFBDRO [NH3+]C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000902414118 621084346 /nfs/dbraw/zinc/08/43/46/621084346.db2.gz SVECMAQSFQWANC-INIZCTEOSA-N 1 0 297.358 2.765 20 5 CFBDRO CC1(C)C[NH2+]C[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902447518 621089785 /nfs/dbraw/zinc/08/97/85/621089785.db2.gz YVFWFXCMEFUFLE-HUUCEWRRSA-N 1 0 289.379 2.560 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000903082091 621245901 /nfs/dbraw/zinc/24/59/01/621245901.db2.gz XWXJRAHIHWQGSG-RISCZKNCSA-N 1 0 294.351 2.823 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903098130 621251617 /nfs/dbraw/zinc/25/16/17/621251617.db2.gz YIEYWWNOILFCSH-IAQYHMDHSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903096566 621259296 /nfs/dbraw/zinc/25/92/96/621259296.db2.gz GKZAMQHTEQIGQR-COLVAYQJSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCOC2CCC2)cc([N+](=O)[O-])c1 ZINC000903137093 621265073 /nfs/dbraw/zinc/26/50/73/621265073.db2.gz IFDCUNMBRKVNSY-NSHDSACASA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903147095 621268558 /nfs/dbraw/zinc/26/85/58/621268558.db2.gz FCNNAZFHNDORLE-RYUDHWBXSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[C@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903177676 621275834 /nfs/dbraw/zinc/27/58/34/621275834.db2.gz RBVJHMRUHLIWFV-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903177678 621275938 /nfs/dbraw/zinc/27/59/38/621275938.db2.gz RBVJHMRUHLIWFV-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000903246360 621294204 /nfs/dbraw/zinc/29/42/04/621294204.db2.gz TYIDPKYRCRLSFG-GHMZBOCLSA-N 1 0 274.324 2.772 20 5 CFBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000903299795 621314132 /nfs/dbraw/zinc/31/41/32/621314132.db2.gz DZEBFXWXBIXVPU-HFBAOOFYSA-N 1 0 289.379 2.654 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903301365 621315469 /nfs/dbraw/zinc/31/54/69/621315469.db2.gz PWUPKBHRNDMFKS-NFAWXSAZSA-N 1 0 291.395 2.598 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000903286965 621318658 /nfs/dbraw/zinc/31/86/58/621318658.db2.gz KVHCWRITJUNFBI-UHIISALHSA-N 1 0 264.325 2.813 20 5 CFBDRO CN1CC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903318471 621331225 /nfs/dbraw/zinc/33/12/25/621331225.db2.gz QAWVEAQPKNEURR-WFASDCNBSA-N 1 0 289.379 2.611 20 5 CFBDRO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903394009 621352941 /nfs/dbraw/zinc/35/29/41/621352941.db2.gz XEROSOMIRASOCJ-ONERCXAPSA-N 1 0 290.363 2.942 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1C ZINC000903395249 621353561 /nfs/dbraw/zinc/35/35/61/621353561.db2.gz KIEXOKCJIKEXQR-SCRDCRAPSA-N 1 0 278.352 2.540 20 5 CFBDRO CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406309 621362068 /nfs/dbraw/zinc/36/20/68/621362068.db2.gz UYNKWFDGVCVNOW-LSDHHAIUSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903436155 621374333 /nfs/dbraw/zinc/37/43/33/621374333.db2.gz HOEQJFOZDZMHQB-COLVAYQJSA-N 1 0 276.336 2.670 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903438002 621375352 /nfs/dbraw/zinc/37/53/52/621375352.db2.gz RORVTLISDZZLEX-TUKIKUTGSA-N 1 0 290.363 2.979 20 5 CFBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000903845250 621454901 /nfs/dbraw/zinc/45/49/01/621454901.db2.gz GDDNETRQJIJNQV-XDTLVQLUSA-N 1 0 295.770 2.560 20 5 CFBDRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903853827 621456299 /nfs/dbraw/zinc/45/62/99/621456299.db2.gz HBBDUODISZRPOW-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988030 621499468 /nfs/dbraw/zinc/49/94/68/621499468.db2.gz MSBCVIYAKMJYLS-SGMGOOAPSA-N 1 0 277.368 2.776 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000042819953 621505150 /nfs/dbraw/zinc/50/51/50/621505150.db2.gz ITQNYQOXASSCSL-CYBMUJFWSA-N 1 0 264.325 2.562 20 5 CFBDRO C[NH2+][C@@H](CC(C)C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000904081643 621518573 /nfs/dbraw/zinc/51/85/73/621518573.db2.gz PPQLDERRJHFXMN-LBPRGKRZSA-N 1 0 290.323 2.951 20 5 CFBDRO Cc1ccc(C[C@H](NCC[N+](=O)[O-])c2ccccn2)cc1 ZINC000905122493 621703939 /nfs/dbraw/zinc/70/39/39/621703939.db2.gz PKDYKHICELANEU-INIZCTEOSA-N 1 0 285.347 2.540 20 5 CFBDRO CC(C)C[C@H](CNCC[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000905294864 621733734 /nfs/dbraw/zinc/73/37/34/621733734.db2.gz LXEHFUQBLGKLNJ-GDBMZVCRSA-N 1 0 293.411 2.618 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000905397920 621758304 /nfs/dbraw/zinc/75/83/04/621758304.db2.gz XPWCDENIHKNRIF-LBPRGKRZSA-N 1 0 254.717 2.584 20 5 CFBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000905395443 621766106 /nfs/dbraw/zinc/76/61/06/621766106.db2.gz MKODHDGLWIQNTP-UHFFFAOYSA-N 1 0 272.348 2.984 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000905508943 621783613 /nfs/dbraw/zinc/78/36/13/621783613.db2.gz MPDGZDCLFFRFRW-KBMXLJTQSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(CCOc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000905615739 621806030 /nfs/dbraw/zinc/80/60/30/621806030.db2.gz YFHBPJZMAZHYKO-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905852661 621888672 /nfs/dbraw/zinc/88/86/72/621888672.db2.gz MEHIOKHVESLWDE-VXGBXAGGSA-N 1 0 293.367 2.501 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906173087 621944272 /nfs/dbraw/zinc/94/42/72/621944272.db2.gz XUOYVGAMQMKSLC-LBPRGKRZSA-N 1 0 284.319 2.519 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1OCC[C@H]1CCCC[N@@H+]1C ZINC000906498804 621993549 /nfs/dbraw/zinc/99/35/49/621993549.db2.gz FDGIXYIEXDYQSA-GFCCVEGCSA-N 1 0 294.351 2.857 20 5 CFBDRO COc1ccc(OCC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000906508602 621995328 /nfs/dbraw/zinc/99/53/28/621995328.db2.gz ZKWMSSGLKOMBQD-GFCCVEGCSA-N 1 0 294.351 2.857 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOc1c(F)cccc1[N+](=O)[O-] ZINC000906503069 621999030 /nfs/dbraw/zinc/99/90/30/621999030.db2.gz NEBIXHSXOIQNNX-LLVKDONJSA-N 1 0 282.315 2.987 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NC1CC[NH2+]CC1 ZINC000149509723 622189007 /nfs/dbraw/zinc/18/90/07/622189007.db2.gz XLGZCSDFZAQJDH-UHFFFAOYSA-N 1 0 273.695 2.551 20 5 CFBDRO Cc1c(C[NH2+]CC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000223890159 622995242 /nfs/dbraw/zinc/99/52/42/622995242.db2.gz HXDRUWAEJPMTKM-CQSZACIVSA-N 1 0 278.352 2.952 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCCCO ZINC000229130059 623184884 /nfs/dbraw/zinc/18/48/84/623184884.db2.gz IGAZJGIJIZSKKW-UHFFFAOYSA-N 1 0 272.732 2.500 20 5 CFBDRO Cc1c(CNC[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000062071722 623247427 /nfs/dbraw/zinc/24/74/27/623247427.db2.gz VKYHRMWOMJAQMO-CYBMUJFWSA-N 1 0 291.395 2.725 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171997734 623250926 /nfs/dbraw/zinc/25/09/26/623250926.db2.gz SGHVJYXULMNTGN-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171997733 623251047 /nfs/dbraw/zinc/25/10/47/623251047.db2.gz SGHVJYXULMNTGN-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO C[C@H]1C[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000172850562 623312396 /nfs/dbraw/zinc/31/23/96/623312396.db2.gz UPIXHYQWBYDWQR-SMDDNHRTSA-N 1 0 295.358 2.648 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000172919447 623317533 /nfs/dbraw/zinc/31/75/33/623317533.db2.gz SJYOHVZHORUDHY-QWRGUYRKSA-N 1 0 280.372 2.876 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCC=CO2)cccc1[N+](=O)[O-] ZINC000231884141 623373526 /nfs/dbraw/zinc/37/35/26/623373526.db2.gz DBDACVWJQZKVNS-CYBMUJFWSA-N 1 0 262.309 2.686 20 5 CFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635569 623536303 /nfs/dbraw/zinc/53/63/03/623536303.db2.gz IGBQLNBTBVFSOH-AAEUAGOBSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1Cl ZINC000914435343 623852811 /nfs/dbraw/zinc/85/28/11/623852811.db2.gz BQEDHJZQLGWIQQ-DGCLKSJQSA-N 1 0 296.754 2.763 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000914568400 623899956 /nfs/dbraw/zinc/89/99/56/623899956.db2.gz HHDAEMYZLDSEDM-LLVKDONJSA-N 1 0 268.361 2.732 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000915208262 623998797 /nfs/dbraw/zinc/99/87/97/623998797.db2.gz DEKBZBOHQALRBK-XBFCOCLRSA-N 1 0 278.356 2.649 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000828987531 624349165 /nfs/dbraw/zinc/34/91/65/624349165.db2.gz GULNQJGLGYJRPK-MFKMUULPSA-N 1 0 295.770 2.697 20 5 CFBDRO CC(C)N(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000919880306 624633982 /nfs/dbraw/zinc/63/39/82/624633982.db2.gz BWGWMWMABHWJJK-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000174959206 624918842 /nfs/dbraw/zinc/91/88/42/624918842.db2.gz NUKRYMJFYIYMQJ-GHMZBOCLSA-N 1 0 274.324 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000175004538 624922920 /nfs/dbraw/zinc/92/29/20/624922920.db2.gz OWXDXRADLWXKSV-UHFFFAOYSA-N 1 0 286.247 2.592 20 5 CFBDRO CC[N@H+](CCSC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000830994404 624949284 /nfs/dbraw/zinc/94/92/84/624949284.db2.gz OHIWRUCPULCWOU-UHFFFAOYSA-N 1 0 272.345 2.919 20 5 CFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000179633588 624971660 /nfs/dbraw/zinc/97/16/60/624971660.db2.gz MEBDVSUNMLHISZ-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO CC(C)CC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000068961160 625041088 /nfs/dbraw/zinc/04/10/88/625041088.db2.gz VZFPWIFUAYWERJ-UHFFFAOYSA-N 1 0 276.340 2.880 20 5 CFBDRO CSCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069000299 625044952 /nfs/dbraw/zinc/04/49/52/625044952.db2.gz OUWPKXJTKLXQGV-UHFFFAOYSA-N 1 0 260.746 2.701 20 5 CFBDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000834883146 625909041 /nfs/dbraw/zinc/90/90/41/625909041.db2.gz ZDJCKXJHNZURGN-QMTHXVAHSA-N 1 0 281.356 2.643 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905590 625917952 /nfs/dbraw/zinc/91/79/52/625917952.db2.gz ZUBGWVZLDKNSPL-JTQLQIEISA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834906100 625918289 /nfs/dbraw/zinc/91/82/89/625918289.db2.gz WAFVATOVFCXELB-NEPJUHHUSA-N 1 0 293.367 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000921564752 625988812 /nfs/dbraw/zinc/98/88/12/625988812.db2.gz XINOGZPGKFMCTN-SOUVJXGZSA-N 1 0 290.363 2.890 20 5 CFBDRO COC(OC)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000922310816 626265890 /nfs/dbraw/zinc/26/58/90/626265890.db2.gz IIKKDBGZFZONRP-NSHDSACASA-N 1 0 296.367 2.815 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000922556857 626310803 /nfs/dbraw/zinc/31/08/03/626310803.db2.gz GQLUBMAIAMQKEO-VELOCXKFSA-N 1 0 289.379 2.680 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000922644237 626330406 /nfs/dbraw/zinc/33/04/06/626330406.db2.gz ZMLCJEUVHWMDJT-SMDDNHRTSA-N 1 0 278.352 2.843 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000922842132 626378145 /nfs/dbraw/zinc/37/81/45/626378145.db2.gz HRGCORVWLZILDN-ZYHUDNBSSA-N 1 0 266.366 2.969 20 5 CFBDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000838986422 626518710 /nfs/dbraw/zinc/51/87/10/626518710.db2.gz JSLWRTOAEGQZTN-UHFFFAOYSA-N 1 0 294.351 2.664 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839147253 626526147 /nfs/dbraw/zinc/52/61/47/626526147.db2.gz GSCWOGDIQPWSFA-TXEJJXNPSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839658368 626549720 /nfs/dbraw/zinc/54/97/20/626549720.db2.gz LXVGVHNZXCRIEU-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000839661229 626549918 /nfs/dbraw/zinc/54/99/18/626549918.db2.gz UKYROOAFBMPUNC-JTQLQIEISA-N 1 0 282.315 2.781 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000759837871 626695349 /nfs/dbraw/zinc/69/53/49/626695349.db2.gz VFJNTCTYVWONCY-GXTWGEPZSA-N 1 0 278.352 2.808 20 5 CFBDRO C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919961 626702022 /nfs/dbraw/zinc/70/20/22/626702022.db2.gz AMHNYWISOYXDPC-WFASDCNBSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000759924706 626702555 /nfs/dbraw/zinc/70/25/55/626702555.db2.gz ZGPQSOWEKPQKIR-SWLSCSKDSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000761293132 626821796 /nfs/dbraw/zinc/82/17/96/626821796.db2.gz RMBUOQKQFSBICA-MNOVXSKESA-N 1 0 288.351 2.941 20 5 CFBDRO Cc1nn(C[NH+]2CCCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764847437 627101692 /nfs/dbraw/zinc/10/16/92/627101692.db2.gz PVBFXRNPMIGGDG-UHFFFAOYSA-N 1 0 274.324 2.696 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CC(C(F)F)C1 ZINC000769519359 627451031 /nfs/dbraw/zinc/45/10/31/627451031.db2.gz KQRUQXCYBHXTBW-UHFFFAOYSA-N 1 0 270.279 2.771 20 5 CFBDRO CCC[N@H+](CC)CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000771231735 627586356 /nfs/dbraw/zinc/58/63/56/627586356.db2.gz RXMIWJCAWNEBRH-UHFFFAOYSA-N 1 0 299.346 2.886 20 5 CFBDRO CC[C@H]([NH2+][C@H](CCO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773011642 627768523 /nfs/dbraw/zinc/76/85/23/627768523.db2.gz IFIGXCYMDXRCPC-LSDHHAIUSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000774534784 627935784 /nfs/dbraw/zinc/93/57/84/627935784.db2.gz SWMQSTQJOYLLON-SWLSCSKDSA-N 1 0 277.368 2.904 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775199375 627999461 /nfs/dbraw/zinc/99/94/61/627999461.db2.gz IFHJCZGOBSMXGR-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277076 628125011 /nfs/dbraw/zinc/12/50/11/628125011.db2.gz NMAQEDLSBOJEAJ-RISCZKNCSA-N 1 0 280.368 2.995 20 5 CFBDRO CCC[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273911 628125079 /nfs/dbraw/zinc/12/50/79/628125079.db2.gz BJGFAQLKQSXAPG-SMDDNHRTSA-N 1 0 266.341 2.749 20 5 CFBDRO CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278815 628125838 /nfs/dbraw/zinc/12/58/38/628125838.db2.gz WAFDKTFMPFMRBJ-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000776580074 628160564 /nfs/dbraw/zinc/16/05/64/628160564.db2.gz QVVWXPIQSXCAKG-WFASDCNBSA-N 1 0 280.368 2.995 20 5 CFBDRO CC[C@]1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585963 628161633 /nfs/dbraw/zinc/16/16/33/628161633.db2.gz FOBIKTCNIBNOSL-LSDHHAIUSA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593502 628163087 /nfs/dbraw/zinc/16/30/87/628163087.db2.gz XBPUZTSDLYIHAQ-UKRRQHHQSA-N 1 0 278.352 2.606 20 5 CFBDRO CC[C@H](C)C[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592561 628163113 /nfs/dbraw/zinc/16/31/13/628163113.db2.gz PWIQCIYJFWBKMB-SWLSCSKDSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@@H](C1CC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000777842692 628256752 /nfs/dbraw/zinc/25/67/52/628256752.db2.gz IVJITGCAEGWTBE-LBPRGKRZSA-N 1 0 275.352 2.515 20 5 CFBDRO Cc1nn(CN2CC[C@@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000779867776 628415385 /nfs/dbraw/zinc/41/53/85/628415385.db2.gz DCSAERXVBVBETO-LLVKDONJSA-N 1 0 278.356 2.569 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000783638682 628729171 /nfs/dbraw/zinc/72/91/71/628729171.db2.gz ISTKIZFIEPMPPB-GXSJLCMTSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1Cl ZINC000783680074 628733898 /nfs/dbraw/zinc/73/38/98/628733898.db2.gz PVFPCVLUENUQFZ-DGCLKSJQSA-N 1 0 298.770 2.889 20 5 CFBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000783679523 628734040 /nfs/dbraw/zinc/73/40/40/628734040.db2.gz JSAOBBMEWMRQCJ-UHFFFAOYSA-N 1 0 298.770 2.984 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514053 628823321 /nfs/dbraw/zinc/82/33/21/628823321.db2.gz XKFPOPXXXVQOIX-DZGCQCFKSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788685671 629092872 /nfs/dbraw/zinc/09/28/72/629092872.db2.gz JNJRWODXCYKJBU-NOHGZBONSA-N 1 0 293.367 2.784 20 5 CFBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000790552125 629247401 /nfs/dbraw/zinc/24/74/01/629247401.db2.gz UMARLWYJPSUESK-TUAOUCFPSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1c(C[NH2+]Cc2ccc(F)nc2)cccc1[N+](=O)[O-] ZINC000791000421 629279646 /nfs/dbraw/zinc/27/96/46/629279646.db2.gz VJKBMNPQCRUOGL-UHFFFAOYSA-N 1 0 275.283 2.727 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000793321129 629526408 /nfs/dbraw/zinc/52/64/08/629526408.db2.gz GXXGNBXSVGUDIQ-LBPRGKRZSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000793547535 629568691 /nfs/dbraw/zinc/56/86/91/629568691.db2.gz JDYOKICENHPHSF-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852700370 634810423 /nfs/dbraw/zinc/81/04/23/634810423.db2.gz NILRVYFMFOEAHE-MJVCVBRESA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1F ZINC000801520915 630452450 /nfs/dbraw/zinc/45/24/50/630452450.db2.gz KLHACFIEIHCQLK-GXTWGEPZSA-N 1 0 294.326 2.735 20 5 CFBDRO [NH3+]CC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843122633 630790939 /nfs/dbraw/zinc/79/09/39/630790939.db2.gz DFBNRLBXDFNYBL-GFCCVEGCSA-N 1 0 297.786 2.952 20 5 CFBDRO CSCC[C@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246283702 649984989 /nfs/dbraw/zinc/98/49/89/649984989.db2.gz NYKWWFMKFUHOQE-SMDDNHRTSA-N 1 0 298.408 2.702 20 5 CFBDRO Cc1nn(C[NH+]2CCCCCCCC2)cc1[N+](=O)[O-] ZINC000840132636 630973030 /nfs/dbraw/zinc/97/30/30/630973030.db2.gz CZMSIOUOFIQEHI-UHFFFAOYSA-N 1 0 266.345 2.713 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808778553 631046641 /nfs/dbraw/zinc/04/66/41/631046641.db2.gz ZRXUDHNMZHZDTD-HOCLYGCPSA-N 1 0 290.363 2.750 20 5 CFBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000840884031 631250994 /nfs/dbraw/zinc/25/09/94/631250994.db2.gz JBSSZGNRKBZRKW-WDEREUQCSA-N 1 0 293.367 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2C2CC2)cc1 ZINC000840887227 631252133 /nfs/dbraw/zinc/25/21/33/631252133.db2.gz TVIWQANVYZCDNG-UHFFFAOYSA-N 1 0 258.281 2.738 20 5 CFBDRO Cc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809735126 631274159 /nfs/dbraw/zinc/27/41/59/631274159.db2.gz XRGCAJVPYHNTPR-UHFFFAOYSA-N 1 0 285.347 2.869 20 5 CFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841028041 631309461 /nfs/dbraw/zinc/30/94/61/631309461.db2.gz JZQXQYXLNKHPMP-AAEUAGOBSA-N 1 0 297.786 2.855 20 5 CFBDRO CCC([NH3+])(CC)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841029693 631310267 /nfs/dbraw/zinc/31/02/67/631310267.db2.gz QJBGIVGYLWGRTH-UHFFFAOYSA-N 1 0 285.775 2.855 20 5 CFBDRO CCC([NH3+])(CC)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841031007 631312298 /nfs/dbraw/zinc/31/22/98/631312298.db2.gz NSJPJEKOFDNRFO-UHFFFAOYSA-N 1 0 285.775 2.855 20 5 CFBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 ZINC000841040734 631317694 /nfs/dbraw/zinc/31/76/94/631317694.db2.gz YTMWWQZRSVCOQX-UHFFFAOYSA-N 1 0 297.786 2.999 20 5 CFBDRO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000811454854 631565678 /nfs/dbraw/zinc/56/56/78/631565678.db2.gz QDRUPQWRQMSXCW-UHFFFAOYSA-N 1 0 280.324 2.612 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCOC1 ZINC000811484768 631570058 /nfs/dbraw/zinc/57/00/58/631570058.db2.gz JVIWUWVQWJZXDA-VIFPVBQESA-N 1 0 291.134 2.780 20 5 CFBDRO CC[N@H+](CCNc1cc([N+](=O)[O-])ccc1C(C)=O)C(C)C ZINC000811798443 631624011 /nfs/dbraw/zinc/62/40/11/631624011.db2.gz IVUBESCNOJRXCI-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C[NH3+] ZINC000843052524 631817065 /nfs/dbraw/zinc/81/70/65/631817065.db2.gz VMCDMCCCMPNBEQ-IINYFYTJSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CO1 ZINC000843431721 631957251 /nfs/dbraw/zinc/95/72/51/631957251.db2.gz CECMLFJHYMHHBH-PSASIEDQSA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844416757 632201427 /nfs/dbraw/zinc/20/14/27/632201427.db2.gz QPKNHITUBYOYGD-NSHDSACASA-N 1 0 296.342 2.574 20 5 CFBDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000815558497 632289080 /nfs/dbraw/zinc/28/90/80/632289080.db2.gz FMXIXRJNEDJBQJ-NSHDSACASA-N 1 0 289.335 2.972 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585293 632291980 /nfs/dbraw/zinc/29/19/80/632291980.db2.gz CSLSZYQJOABYNA-ONGXEEELSA-N 1 0 281.381 2.723 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000845739017 632544533 /nfs/dbraw/zinc/54/45/33/632544533.db2.gz QMXWRMJSYTWGKO-NSHDSACASA-N 1 0 292.335 2.624 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCC[N@@H+]1C ZINC000817417893 632627624 /nfs/dbraw/zinc/62/76/24/632627624.db2.gz VXVAHZZNXHHQSE-LBPRGKRZSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906727 632729355 /nfs/dbraw/zinc/72/93/55/632729355.db2.gz DFXFJYGZDKXFRD-YGRLFVJLSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846703915 632778415 /nfs/dbraw/zinc/77/84/15/632778415.db2.gz RIFGUHWFARFYJH-ONGXEEELSA-N 1 0 283.759 2.560 20 5 CFBDRO CC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000846952525 632856691 /nfs/dbraw/zinc/85/66/91/632856691.db2.gz ZVYRBOLANHYRRY-NSHDSACASA-N 1 0 276.336 2.957 20 5 CFBDRO CCC[C@H](CC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818983445 632921871 /nfs/dbraw/zinc/92/18/71/632921871.db2.gz IKNUPMDAHYNSSY-JSGCOSHPSA-N 1 0 266.341 2.797 20 5 CFBDRO CCc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000848532118 633280244 /nfs/dbraw/zinc/28/02/44/633280244.db2.gz ZMTNIBSYFAOSLW-AWEZNQCLSA-N 1 0 286.335 2.657 20 5 CFBDRO Cc1c(C[NH2+]Cc2cnc(Cl)n2C)cccc1[N+](=O)[O-] ZINC000848548602 633286220 /nfs/dbraw/zinc/28/62/20/633286220.db2.gz IPBZPOTUCJMPES-UHFFFAOYSA-N 1 0 294.742 2.580 20 5 CFBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000848929078 633412597 /nfs/dbraw/zinc/41/25/97/633412597.db2.gz SJURLTLGRBWAHN-VIFPVBQESA-N 1 0 284.743 2.593 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000850312344 633938077 /nfs/dbraw/zinc/93/80/77/633938077.db2.gz JLPHEUNDTGFMFZ-SUHUHFCYSA-N 1 0 264.325 2.813 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850360312 633955073 /nfs/dbraw/zinc/95/50/73/633955073.db2.gz GSCWOGDIQPWSFA-HAQNSBGRSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850388077 633972319 /nfs/dbraw/zinc/97/23/19/633972319.db2.gz GXZXVZPBGKVCAH-NSHDSACASA-N 1 0 298.770 2.746 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000850429201 633989704 /nfs/dbraw/zinc/98/97/04/633989704.db2.gz AKOKUYBXYWQADC-WCQYABFASA-N 1 0 296.367 2.661 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850535678 634040869 /nfs/dbraw/zinc/04/08/69/634040869.db2.gz ZFBISONQCZDLPP-NTZNESFSSA-N 1 0 293.367 2.785 20 5 CFBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858230070 636159250 /nfs/dbraw/zinc/15/92/50/636159250.db2.gz NPSQKELTNOZMTM-IINYFYTJSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000853117206 634911085 /nfs/dbraw/zinc/91/10/85/634911085.db2.gz QZNAKOCFAFKKTI-CABCVRRESA-N 1 0 278.352 2.652 20 5 CFBDRO CC[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000853687319 635075126 /nfs/dbraw/zinc/07/51/26/635075126.db2.gz SPZOTVOOAXKZFO-SNVBAGLBSA-N 1 0 299.321 2.794 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCCS2)cc1 ZINC000158665529 650233310 /nfs/dbraw/zinc/23/33/10/650233310.db2.gz XRCUKNAYHDQCBH-KGLIPLIRSA-N 1 0 296.392 2.504 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858485368 636267833 /nfs/dbraw/zinc/26/78/33/636267833.db2.gz LUVHWMWCPXALIN-YPMHNXCESA-N 1 0 295.383 2.625 20 5 CFBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(C)COC1 ZINC000859565841 636603725 /nfs/dbraw/zinc/60/37/25/636603725.db2.gz SOOXLXJSBRZSKC-UHFFFAOYSA-N 1 0 284.743 2.717 20 5 CFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000048579947 650271713 /nfs/dbraw/zinc/27/17/13/650271713.db2.gz FJCZELIHTWFWGB-UHFFFAOYSA-N 1 0 297.742 2.529 20 5 CFBDRO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000863581852 637700639 /nfs/dbraw/zinc/70/06/39/637700639.db2.gz GZUZCFFFCGAESO-CLWVCHIJSA-N 1 0 290.363 2.654 20 5 CFBDRO Cc1ccc(CNCc2nccn2C(C)C)cc1[N+](=O)[O-] ZINC000865787838 638574616 /nfs/dbraw/zinc/57/46/16/638574616.db2.gz TWBFWLGWEBVDTE-UHFFFAOYSA-N 1 0 288.351 2.970 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)cc1 ZINC000865875258 638635154 /nfs/dbraw/zinc/63/51/54/638635154.db2.gz HOJYLARYQHEYRV-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO CSCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866216485 638772564 /nfs/dbraw/zinc/77/25/64/638772564.db2.gz GVPYWLSZOBCOJU-VIFPVBQESA-N 1 0 272.345 2.618 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866252718 638780579 /nfs/dbraw/zinc/78/05/79/638780579.db2.gz OBMKVUVJCXDNKY-GHMZBOCLSA-N 1 0 284.331 2.680 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866261842 638783209 /nfs/dbraw/zinc/78/32/09/638783209.db2.gz XOMFTVYROAYIEW-SECBINFHSA-N 1 0 293.298 2.751 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866268951 638785326 /nfs/dbraw/zinc/78/53/26/638785326.db2.gz LGBSTTJEFRGTIL-ZWNOBZJWSA-N 1 0 284.331 2.680 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866309124 638794442 /nfs/dbraw/zinc/79/44/42/638794442.db2.gz LVWXHXVNTMXGBB-IINYFYTJSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)CC(C)(C)O ZINC000866364308 638804982 /nfs/dbraw/zinc/80/49/82/638804982.db2.gz QWIGJTPOUXQEDQ-GHMZBOCLSA-N 1 0 298.358 2.804 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC(C)(C)C1 ZINC000866386145 638811436 /nfs/dbraw/zinc/81/14/36/638811436.db2.gz XTWBFQGZFJVGKK-MFKMUULPSA-N 1 0 296.342 2.822 20 5 CFBDRO CC(C)(F)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866409244 638816696 /nfs/dbraw/zinc/81/66/96/638816696.db2.gz WNORIDUWJBWLRW-UHFFFAOYSA-N 1 0 295.358 2.901 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000866479172 638827905 /nfs/dbraw/zinc/82/79/05/638827905.db2.gz QYFMLUWMEKNEMN-JTQLQIEISA-N 1 0 275.308 2.929 20 5 CFBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540149 638838984 /nfs/dbraw/zinc/83/89/84/638838984.db2.gz JULPEIRLTAXDOU-SNVBAGLBSA-N 1 0 274.324 2.786 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000866634921 638858871 /nfs/dbraw/zinc/85/88/71/638858871.db2.gz VPVTZSRLXZXHRG-SDDRHHMPSA-N 1 0 296.367 2.804 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866725867 638871474 /nfs/dbraw/zinc/87/14/74/638871474.db2.gz SVBZMVZWJRRRKV-UONOGXRCSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000192968666 650612139 /nfs/dbraw/zinc/61/21/39/650612139.db2.gz OTAOUIZINYYKJO-UHFFFAOYSA-N 1 0 289.379 2.907 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028441 641559512 /nfs/dbraw/zinc/55/95/12/641559512.db2.gz PQCXWWMAGRSEEJ-GHMZBOCLSA-N 1 0 282.315 2.954 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029220 641559789 /nfs/dbraw/zinc/55/97/89/641559789.db2.gz PDPGMCKLDNEHPW-MNOVXSKESA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032825 641563243 /nfs/dbraw/zinc/56/32/43/641563243.db2.gz ALUCBCQGLCKOJN-UWVGGRQHSA-N 1 0 268.288 2.564 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N(C)C ZINC000872033942 641564685 /nfs/dbraw/zinc/56/46/85/641564685.db2.gz KLPSPVTVKFZZNM-QWRGUYRKSA-N 1 0 297.424 2.917 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036647 641569759 /nfs/dbraw/zinc/56/97/59/641569759.db2.gz UHIOQNYFTSBJLM-VHSXEESVSA-N 1 0 270.304 2.546 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036648 641569938 /nfs/dbraw/zinc/56/99/38/641569938.db2.gz UHIOQNYFTSBJLM-ZJUUUORDSA-N 1 0 270.304 2.546 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000872039401 641573680 /nfs/dbraw/zinc/57/36/80/641573680.db2.gz SEDATEYEIPVXGV-GJZGRUSLSA-N 1 0 292.379 2.932 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC1 ZINC000872053853 641588584 /nfs/dbraw/zinc/58/85/84/641588584.db2.gz XPVAWSQBHNWTNG-NXEZZACHSA-N 1 0 282.365 2.756 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064579 641596250 /nfs/dbraw/zinc/59/62/50/641596250.db2.gz IDGVODVPUTWFAQ-GARJFASQSA-N 1 0 282.315 2.546 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065037 641597529 /nfs/dbraw/zinc/59/75/29/641597529.db2.gz RCVRYILSMWNIFH-UWVGGRQHSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000872073066 641604388 /nfs/dbraw/zinc/60/43/88/641604388.db2.gz LZAZLRVNWXEIMI-QWRGUYRKSA-N 1 0 283.347 2.582 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)O ZINC000872074683 641605641 /nfs/dbraw/zinc/60/56/41/641605641.db2.gz ZULLBPKYVVDJTP-JOYOIKCWSA-N 1 0 284.331 2.934 20 5 CFBDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074898 641606700 /nfs/dbraw/zinc/60/67/00/641606700.db2.gz JZKCNBFJQWAZSS-QWRGUYRKSA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074875 641606876 /nfs/dbraw/zinc/60/68/76/641606876.db2.gz JUGLUHZMEUVLOU-SKDRFNHKSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082234 641615184 /nfs/dbraw/zinc/61/51/84/641615184.db2.gz SMTVGPRNZINYKW-KXUCPTDWSA-N 1 0 268.288 2.562 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082235 641615754 /nfs/dbraw/zinc/61/57/54/641615754.db2.gz SMTVGPRNZINYKW-OPRDCNLKSA-N 1 0 268.288 2.562 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085293 641619263 /nfs/dbraw/zinc/61/92/63/641619263.db2.gz PCWGCYWIHQDDCG-NXEZZACHSA-N 1 0 282.315 2.952 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCn1ccnc1 ZINC000873006229 641982727 /nfs/dbraw/zinc/98/27/27/641982727.db2.gz BXHDPWCFUIVKQO-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO Cc1c(CNCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000873009271 641983487 /nfs/dbraw/zinc/98/34/87/641983487.db2.gz IOTJEERPLMETJI-UHFFFAOYSA-N 1 0 291.395 2.869 20 5 CFBDRO CSCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873007161 641983608 /nfs/dbraw/zinc/98/36/08/641983608.db2.gz IZSMVYSQULAPKV-UHFFFAOYSA-N 1 0 254.355 2.664 20 5 CFBDRO CO[C@H](C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873035308 641991152 /nfs/dbraw/zinc/99/11/52/641991152.db2.gz IOJGJJBOHROXHQ-LLVKDONJSA-N 1 0 266.341 2.726 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCCC1 ZINC000873049190 641995515 /nfs/dbraw/zinc/99/55/15/641995515.db2.gz ZVLQAUSFPCILKR-UHFFFAOYSA-N 1 0 278.352 2.606 20 5 CFBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873052356 641996492 /nfs/dbraw/zinc/99/64/92/641996492.db2.gz WHIPBFUQRKAUEX-ABAIWWIYSA-N 1 0 280.368 2.790 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873051867 641996664 /nfs/dbraw/zinc/99/66/64/641996664.db2.gz PEIDBQLPYJMSET-OAHLLOKOSA-N 1 0 280.368 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000873098266 642012442 /nfs/dbraw/zinc/01/24/42/642012442.db2.gz FGJAHECRFALTRH-DGCLKSJQSA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000873109762 642013791 /nfs/dbraw/zinc/01/37/91/642013791.db2.gz CMCQZKLVJIJMOQ-UKRRQHHQSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000873111912 642015377 /nfs/dbraw/zinc/01/53/77/642015377.db2.gz JIAAUSYKPUEGFZ-ZDUSSCGKSA-N 1 0 276.336 2.994 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873133767 642024158 /nfs/dbraw/zinc/02/41/58/642024158.db2.gz GSGLKADDNQVWQG-AWEZNQCLSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc[nH]c1=O ZINC000873144822 642029660 /nfs/dbraw/zinc/02/96/60/642029660.db2.gz HBUPPSKFHMZRSZ-UHFFFAOYSA-N 1 0 287.319 2.602 20 5 CFBDRO C[N@H+](CCNc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000124774465 642321570 /nfs/dbraw/zinc/32/15/70/642321570.db2.gz KOBLOCIZRVUCIX-UHFFFAOYSA-N 1 0 269.732 2.754 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@H](C)C1 ZINC000877038054 643115563 /nfs/dbraw/zinc/11/55/63/643115563.db2.gz GUXDEWJNIUPGNQ-YUOXXOKCSA-N 1 0 292.383 2.909 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000877086988 643145403 /nfs/dbraw/zinc/14/54/03/643145403.db2.gz DNBFXUUMHNJHPI-LBPRGKRZSA-N 1 0 284.743 2.907 20 5 CFBDRO CC1(C)C([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1(C)C ZINC000877529009 643332459 /nfs/dbraw/zinc/33/24/59/643332459.db2.gz QCECXBOHIUUXMG-UHFFFAOYSA-N 1 0 278.356 2.519 20 5 CFBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877562084 643361686 /nfs/dbraw/zinc/36/16/86/643361686.db2.gz OPYOZCUDROGPBC-IWMBGFJWSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000877594314 643386125 /nfs/dbraw/zinc/38/61/25/643386125.db2.gz FBYXWGBDTXEKND-SMDDNHRTSA-N 1 0 292.379 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000877594313 643386339 /nfs/dbraw/zinc/38/63/39/643386339.db2.gz FBYXWGBDTXEKND-RISCZKNCSA-N 1 0 292.379 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000877640555 643425204 /nfs/dbraw/zinc/42/52/04/643425204.db2.gz OVQDSRQWFPGYHJ-WBMJQRKESA-N 1 0 292.379 2.662 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cs1 ZINC000877736897 643497643 /nfs/dbraw/zinc/49/76/43/643497643.db2.gz BSOGBOLQDLJEAM-GHMZBOCLSA-N 1 0 284.406 2.841 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000877737719 643498772 /nfs/dbraw/zinc/49/87/72/643498772.db2.gz HWOJISQIJJHMFJ-CHWSQXEVSA-N 1 0 278.377 2.780 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000877738959 643503966 /nfs/dbraw/zinc/50/39/66/643503966.db2.gz QTZXREBBEPHCIE-UONOGXRCSA-N 1 0 292.404 2.822 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000126726597 643583510 /nfs/dbraw/zinc/58/35/10/643583510.db2.gz XOMZRZIDLFWWAM-NHYWBVRUSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000126727287 643585355 /nfs/dbraw/zinc/58/53/55/643585355.db2.gz XOMZRZIDLFWWAM-IAQYHMDHSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000877827800 643592979 /nfs/dbraw/zinc/59/29/79/643592979.db2.gz RZSQAWPIKPWDDI-GMXABZIVSA-N 1 0 276.336 2.813 20 5 CFBDRO CC(C)C[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878001515 643688895 /nfs/dbraw/zinc/68/88/95/643688895.db2.gz SIVLYDHBJMEGOS-UHFFFAOYSA-N 1 0 290.323 2.733 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCC3CC3)CC2)n1 ZINC000878523203 643926732 /nfs/dbraw/zinc/92/67/32/643926732.db2.gz AAGWXGWXUMBRAY-UHFFFAOYSA-N 1 0 278.356 2.618 20 5 CFBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000878768968 644020269 /nfs/dbraw/zinc/02/02/69/644020269.db2.gz METVCYCELXXOLX-UHFFFAOYSA-N 1 0 290.323 2.875 20 5 CFBDRO C[C@](CO)([NH2+]CCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000879272003 644202244 /nfs/dbraw/zinc/20/22/44/644202244.db2.gz KBMXYQZDSGNERC-OAHLLOKOSA-N 1 0 278.352 2.582 20 5 CFBDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000879317544 644222839 /nfs/dbraw/zinc/22/28/39/644222839.db2.gz FNOVQPKZAXDTNW-RISCZKNCSA-N 1 0 264.325 2.594 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879964943 644480458 /nfs/dbraw/zinc/48/04/58/644480458.db2.gz UFEIFLJPCSTBDG-GFCCVEGCSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000880232168 644592321 /nfs/dbraw/zinc/59/23/21/644592321.db2.gz IBZRQUJOYCYMIG-CYBMUJFWSA-N 1 0 266.316 2.819 20 5 CFBDRO Cc1c(C[NH+]2CCC(F)CC2)cccc1[N+](=O)[O-] ZINC000880242526 644605614 /nfs/dbraw/zinc/60/56/14/644605614.db2.gz BZESZJRDTXZYBZ-UHFFFAOYSA-N 1 0 252.289 2.837 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CF)C1 ZINC000880291167 644630629 /nfs/dbraw/zinc/63/06/29/644630629.db2.gz CIJTUSNROXOOAN-WDEREUQCSA-N 1 0 252.289 2.947 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CF)C1 ZINC000880294042 644633657 /nfs/dbraw/zinc/63/36/57/644633657.db2.gz QTLBPSAFZXAEPP-MNOVXSKESA-N 1 0 252.289 2.947 20 5 CFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880299400 644639935 /nfs/dbraw/zinc/63/99/35/644639935.db2.gz SERHGOVIPOLRMS-LBPRGKRZSA-N 1 0 282.315 2.785 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1 ZINC000094773232 650963131 /nfs/dbraw/zinc/96/31/31/650963131.db2.gz FWFRUZMFCAQZTI-SNVBAGLBSA-N 1 0 275.283 2.980 20 5 CFBDRO CC(=O)c1c(NCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881745124 645119184 /nfs/dbraw/zinc/11/91/84/645119184.db2.gz XXFUANWNSAHSED-UHFFFAOYSA-N 1 0 293.367 2.797 20 5 CFBDRO CC1CC[NH+](CCCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881775989 645125754 /nfs/dbraw/zinc/12/57/54/645125754.db2.gz VKEHDIDLDVWZQZ-UHFFFAOYSA-N 1 0 296.346 2.663 20 5 CFBDRO CC(=O)c1c(NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000882237872 645250635 /nfs/dbraw/zinc/25/06/35/645250635.db2.gz KHEJSTVVDCAWPY-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252191584 650999905 /nfs/dbraw/zinc/99/99/05/650999905.db2.gz RROUQRDLOSBSDY-SMDDNHRTSA-N 1 0 264.325 2.503 20 5 CFBDRO C=C/C=C/CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883260619 645705826 /nfs/dbraw/zinc/70/58/26/645705826.db2.gz AGPZQPBRVGYHQA-ONEGZZNKSA-N 1 0 290.319 2.588 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000883359437 645765952 /nfs/dbraw/zinc/76/59/52/645765952.db2.gz GTGMZZZXBFOTJM-LRFDDAOPSA-N 1 0 289.379 2.682 20 5 CFBDRO Cc1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000884044505 646146743 /nfs/dbraw/zinc/14/67/43/646146743.db2.gz KYPBYAAGXMKOBI-ZDUSSCGKSA-N 1 0 293.367 2.851 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCC1 ZINC000800152898 646159444 /nfs/dbraw/zinc/15/94/44/646159444.db2.gz JUXLEOHBYTZTRR-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO CC[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884582761 646468585 /nfs/dbraw/zinc/46/85/85/646468585.db2.gz KYCBFRVGEHKNDM-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO CCC1([NH+]2CCC2)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000884717669 646539968 /nfs/dbraw/zinc/53/99/68/646539968.db2.gz IFAQTWUUBQGWNW-UHFFFAOYSA-N 1 0 296.396 2.506 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886107730 646874975 /nfs/dbraw/zinc/87/49/75/646874975.db2.gz YOMKTMPISLCGJI-PJXYFTJBSA-N 1 0 263.341 2.904 20 5 CFBDRO CCC1(CC)[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C[C@H]1OC ZINC000886171588 646906148 /nfs/dbraw/zinc/90/61/48/646906148.db2.gz JZBYHUVXGQFGQH-CHWSQXEVSA-N 1 0 293.367 2.673 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000886218136 646925981 /nfs/dbraw/zinc/92/59/81/646925981.db2.gz OMYTZPJKZZZRGJ-CYBMUJFWSA-N 1 0 298.346 2.764 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886315448 646965772 /nfs/dbraw/zinc/96/57/72/646965772.db2.gz MQCZPMIVZITJOW-XUJVJEKNSA-N 1 0 276.336 2.672 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2cccnc21 ZINC000886532941 647033576 /nfs/dbraw/zinc/03/35/76/647033576.db2.gz RMXQQKIZCCYJGO-CQSZACIVSA-N 1 0 283.331 2.809 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000886556809 647046576 /nfs/dbraw/zinc/04/65/76/647046576.db2.gz KOMXIVKJJKIHQK-OAHLLOKOSA-N 1 0 283.331 2.809 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cs1 ZINC000886832045 647155815 /nfs/dbraw/zinc/15/58/15/647155815.db2.gz ABCLUBPUNFWRQY-RYUDHWBXSA-N 1 0 282.365 2.657 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886832287 647155948 /nfs/dbraw/zinc/15/59/48/647155948.db2.gz FOMZYJUCOQBLIP-XHDPSFHLSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886832546 647156469 /nfs/dbraw/zinc/15/64/69/647156469.db2.gz JQLKHUXVQLHMMB-HIFRSBDPSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886832496 647156745 /nfs/dbraw/zinc/15/67/45/647156745.db2.gz JGFSCRSZZFYTCZ-GOEBONIOSA-N 1 0 290.363 2.638 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+](C)CCCF)cccc1[N+](=O)[O-] ZINC000887140029 647228600 /nfs/dbraw/zinc/22/86/00/647228600.db2.gz NNQRCQZEKMYFFY-UHFFFAOYSA-N 1 0 297.330 2.523 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(C4CC4)CCC3)nc2c1 ZINC000887147264 647231881 /nfs/dbraw/zinc/23/18/81/647231881.db2.gz FURHNBKSHHKGRC-UHFFFAOYSA-N 1 0 286.335 2.893 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000300328764 647322246 /nfs/dbraw/zinc/32/22/46/647322246.db2.gz UVEGAGRVLCDDFO-XUJVJEKNSA-N 1 0 278.352 2.654 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000300662455 647346481 /nfs/dbraw/zinc/34/64/81/647346481.db2.gz YPFIOOVANUUUQW-STQMWFEESA-N 1 0 282.315 2.637 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925310688 648154304 /nfs/dbraw/zinc/15/43/04/648154304.db2.gz OQKYUBXYTXSCGK-GOEBONIOSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925310687 648155098 /nfs/dbraw/zinc/15/50/98/648155098.db2.gz OQKYUBXYTXSCGK-GDBMZVCRSA-N 1 0 289.379 2.701 20 5 CFBDRO COC1(OC)CC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000925490715 648182198 /nfs/dbraw/zinc/18/21/98/648182198.db2.gz CJEBJHMMQDBGGX-SMDDNHRTSA-N 1 0 294.351 2.705 20 5 CFBDRO Cc1c(C[NH2+]C2[C@@H](C)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000926268844 648452387 /nfs/dbraw/zinc/45/23/87/648452387.db2.gz IUULXTIQZTZFTJ-QWRGUYRKSA-N 1 0 278.352 2.664 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC000926493023 648508795 /nfs/dbraw/zinc/50/87/95/648508795.db2.gz MPWMFNBRDXJWSS-WDEREUQCSA-N 1 0 272.308 2.797 20 5 CFBDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000929134521 648987083 /nfs/dbraw/zinc/98/70/83/648987083.db2.gz XZXFKGQWEOAXKH-ZDUSSCGKSA-N 1 0 291.351 2.715 20 5 CFBDRO COc1ccc(CCC2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000929242204 649011803 /nfs/dbraw/zinc/01/18/03/649011803.db2.gz JPVABAIJUHVBKP-UHFFFAOYSA-N 1 0 292.379 2.617 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[N+](=O)[O-])ccc1OCC(C)C ZINC000930201782 649205815 /nfs/dbraw/zinc/20/58/15/649205815.db2.gz HNVBSLLOVPHIOC-LBPRGKRZSA-N 1 0 296.367 2.657 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000930720361 649314736 /nfs/dbraw/zinc/31/47/36/649314736.db2.gz PPEDXFMBDQXYEW-AWEZNQCLSA-N 1 0 260.337 2.533 20 5 CFBDRO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000931529234 649447986 /nfs/dbraw/zinc/44/79/86/649447986.db2.gz SLTBNKQWUBHSDF-CQSZACIVSA-N 1 0 284.306 2.639 20 5 CFBDRO CC(C)(C)[C@H]1CSCCN1Cc1cccnc1[N+](=O)[O-] ZINC000931591611 649459740 /nfs/dbraw/zinc/45/97/40/649459740.db2.gz CWTJUVBWPFKLLH-GFCCVEGCSA-N 1 0 295.408 2.953 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931805547 649492843 /nfs/dbraw/zinc/49/28/43/649492843.db2.gz GLHUJEKHFCROSE-AWEZNQCLSA-N 1 0 256.305 2.693 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932179001 649559670 /nfs/dbraw/zinc/55/96/70/649559670.db2.gz VHULFADTUJKKBY-MDZLAQPJSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1noc(C[N@@H+]2CCCSC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000933912180 649731144 /nfs/dbraw/zinc/73/11/44/649731144.db2.gz IRYWOUNBFYUAMH-NSHDSACASA-N 1 0 297.380 2.609 20 5 CFBDRO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934621642 649806008 /nfs/dbraw/zinc/80/60/08/649806008.db2.gz FIWKOHKKMKVHBJ-KCPJHIHWSA-N 1 0 276.336 2.573 20 5 CFBDRO CSCC(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000934673982 649814213 /nfs/dbraw/zinc/81/42/13/649814213.db2.gz KVTHMAPNQOLCMA-UHFFFAOYSA-N 1 0 284.381 2.705 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000113711389 651203716 /nfs/dbraw/zinc/20/37/16/651203716.db2.gz AYXXJDHJQWOFIU-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1Cl ZINC001155402484 782281739 /nfs/dbraw/zinc/28/17/39/782281739.db2.gz MVVSKIVAZKAQFD-GXFFZTMASA-N 1 0 296.758 2.648 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ncnc3cc4ccccc4cc32)C1 ZINC001167273161 770195356 /nfs/dbraw/zinc/19/53/56/770195356.db2.gz VDTNOIKUVHXEBR-AWEZNQCLSA-N 1 0 278.359 2.899 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000724640903 773213569 /nfs/dbraw/zinc/21/35/69/773213569.db2.gz ZBKLAOXVCPTRQD-IMRBUKKESA-N 1 0 278.352 2.949 20 5 CFBDRO COC1(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000227248323 775142781 /nfs/dbraw/zinc/14/27/81/775142781.db2.gz UONRUHLDGMRLCH-NSHDSACASA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1Br ZINC001225201491 775365040 /nfs/dbraw/zinc/36/50/40/775365040.db2.gz ORSZMXUSJOPVJQ-SNVBAGLBSA-N 1 0 273.194 2.923 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Br)c1 ZINC001225226252 775370494 /nfs/dbraw/zinc/37/04/94/775370494.db2.gz AKJVWFDCEULKST-SNVBAGLBSA-N 1 0 273.194 2.923 20 5 CFBDRO CC(C)CCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001167690110 775413883 /nfs/dbraw/zinc/41/38/83/775413883.db2.gz QCZKMHOLSRSFGW-UHFFFAOYSA-N 1 0 294.399 2.977 20 5 CFBDRO COC(=O)c1ccc(Cl)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225382411 775437144 /nfs/dbraw/zinc/43/71/44/775437144.db2.gz LVHRWFCEQKITAW-JTQLQIEISA-N 1 0 286.779 2.600 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225430797 775454416 /nfs/dbraw/zinc/45/44/16/775454416.db2.gz GRPFHLJHDFFNEN-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO COc1cc(OC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001225435897 775455800 /nfs/dbraw/zinc/45/58/00/775455800.db2.gz NQTGVWWWWVMTFG-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO Cc1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC001225689598 775560005 /nfs/dbraw/zinc/56/00/05/775560005.db2.gz LDOAXMPXZUZAKP-ITGUQSILSA-N 1 0 276.336 2.907 20 5 CFBDRO CC(=O)CCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001225696109 775562433 /nfs/dbraw/zinc/56/24/33/775562433.db2.gz OBGQUSVAXMGNEF-AWEZNQCLSA-N 1 0 264.389 2.682 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225711762 775569763 /nfs/dbraw/zinc/56/97/63/775569763.db2.gz AHWBMIRSFATRPS-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ncc1Br ZINC001225779222 775590156 /nfs/dbraw/zinc/59/01/56/775590156.db2.gz OFMPDNUBGKUSLW-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)c(F)c(F)c(F)c1F ZINC001225786547 775593904 /nfs/dbraw/zinc/59/39/04/775593904.db2.gz UDFUIUOKKQMTHS-LURJTMIESA-N 1 0 284.248 2.856 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794632 775596331 /nfs/dbraw/zinc/59/63/31/775596331.db2.gz VOUCIVZJYRPQIL-JTQLQIEISA-N 1 0 270.304 2.843 20 5 CFBDRO C[C@@H]1[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218380790 775599756 /nfs/dbraw/zinc/59/97/56/775599756.db2.gz BCDGLRRIOGNMOL-XUOSJQGZSA-N 1 0 277.107 2.641 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1Br ZINC001225811614 775601804 /nfs/dbraw/zinc/60/18/04/775601804.db2.gz TZPAEMLWPZVMJI-VIFPVBQESA-O 1 0 289.193 2.628 20 5 CFBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218390395 775620402 /nfs/dbraw/zinc/62/04/02/775620402.db2.gz XQKUIYCFEQUVOP-RRAGMBSWSA-N 1 0 277.107 2.641 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225913914 775634379 /nfs/dbraw/zinc/63/43/79/775634379.db2.gz YDIAOPMNCLDOJR-LLVKDONJSA-N 1 0 268.288 2.595 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225954110 775646346 /nfs/dbraw/zinc/64/63/46/775646346.db2.gz UKMACACWLKEZGH-QMMMGPOBSA-N 1 0 292.257 2.943 20 5 CFBDRO CC(C)COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001226084527 775691842 /nfs/dbraw/zinc/69/18/42/775691842.db2.gz SYIWMNNSQUFEBE-CQSZACIVSA-N 1 0 294.415 2.973 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1OC1CC[NH+](C2CC2)CC1 ZINC001226130849 775710194 /nfs/dbraw/zinc/71/01/94/775710194.db2.gz XAWPXTQBFQMNMD-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226256745 775757288 /nfs/dbraw/zinc/75/72/88/775757288.db2.gz XOCQSHKHKZFASO-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccc(Cl)cc2o1 ZINC001226457360 775830090 /nfs/dbraw/zinc/83/00/90/775830090.db2.gz FAHWTVGQLKSFFZ-SECBINFHSA-N 1 0 269.752 2.955 20 5 CFBDRO Cc1ncc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001226864987 775993676 /nfs/dbraw/zinc/99/36/76/775993676.db2.gz LAAYEZCSFSFDEW-VIFPVBQESA-N 1 0 288.209 2.626 20 5 CFBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2C)CC1 ZINC001226996990 776054367 /nfs/dbraw/zinc/05/43/67/776054367.db2.gz TXDSCKYQYLGIAA-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC001227221863 776144425 /nfs/dbraw/zinc/14/44/25/776144425.db2.gz FHSIMABZLWZJPJ-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1nc2c(cccc2[N+](=O)[O-])o1 ZINC001227238243 776150731 /nfs/dbraw/zinc/15/07/31/776150731.db2.gz MWQCDGCHINBBTD-JTQLQIEISA-N 1 0 293.323 2.845 20 5 CFBDRO CCC[NH+](CCC)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000124352575 776200387 /nfs/dbraw/zinc/20/03/87/776200387.db2.gz SWBYEJUHLGGXGC-UHFFFAOYSA-N 1 0 293.323 2.582 20 5 CFBDRO O=[N+]([O-])c1c(Cl)ccnc1OC1CC[NH+](C2CC2)CC1 ZINC001228014172 776363328 /nfs/dbraw/zinc/36/33/28/776363328.db2.gz FVZOCHYANHNJHH-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO CCC(=O)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228113736 776399798 /nfs/dbraw/zinc/39/97/98/776399798.db2.gz GBJJFTVJIZJBNN-GFCCVEGCSA-N 1 0 250.362 2.753 20 5 CFBDRO Cc1cc(C)c(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001228229710 776428083 /nfs/dbraw/zinc/42/80/83/776428083.db2.gz KWNBBBQVBAITOY-AWEZNQCLSA-N 1 0 276.336 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001228570617 776523886 /nfs/dbraw/zinc/52/38/86/776523886.db2.gz FYHJGMNTYWKILE-GFCCVEGCSA-N 1 0 267.349 2.685 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001228609762 776538761 /nfs/dbraw/zinc/53/87/61/776538761.db2.gz IDWHHEKXQGROBI-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO CCc1ccc(O[C@H](C)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001228641503 776549121 /nfs/dbraw/zinc/54/91/21/776549121.db2.gz HXGNBLRHKCEKQS-GFCCVEGCSA-N 1 0 264.389 2.925 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc2cc[nH]c2cc1F ZINC001228889795 776646242 /nfs/dbraw/zinc/64/62/42/776646242.db2.gz YOVNSVAIZZANNX-SNVBAGLBSA-N 1 0 251.325 2.781 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C)CC1 ZINC001228916457 776657190 /nfs/dbraw/zinc/65/71/90/776657190.db2.gz RXROKJLTXIHKSX-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001228915293 776657744 /nfs/dbraw/zinc/65/77/44/776657744.db2.gz BSLAOIJIIWBKCW-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228934830 776662148 /nfs/dbraw/zinc/66/21/48/776662148.db2.gz VTONAWMGGHQYHJ-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937971 776662944 /nfs/dbraw/zinc/66/29/44/776662944.db2.gz LKMSXNIEORILPP-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229006388 776687740 /nfs/dbraw/zinc/68/77/40/776687740.db2.gz YEUMVCPGYPJKCW-CYBMUJFWSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)nc1Cl ZINC001229092679 776715218 /nfs/dbraw/zinc/71/52/18/776715218.db2.gz XMYNXGHCRVGFJN-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO CC(=O)c1cccc(O[C@@H]2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC001229130813 776726893 /nfs/dbraw/zinc/72/68/93/776726893.db2.gz DLBVPQLRBIGDKT-GFCCVEGCSA-N 1 0 292.335 2.661 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229199779 776749809 /nfs/dbraw/zinc/74/98/09/776749809.db2.gz ZGVJWKPATDAKOA-CYBMUJFWSA-N 1 0 280.299 2.515 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229376527 776794964 /nfs/dbraw/zinc/79/49/64/776794964.db2.gz JKWQPYRWMDXVHN-JTQLQIEISA-N 1 0 270.716 2.721 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229488068 776827463 /nfs/dbraw/zinc/82/74/63/776827463.db2.gz TZADQCGRARZZJO-NSHDSACASA-N 1 0 291.307 2.598 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ccc(F)cc21 ZINC001229516568 776837671 /nfs/dbraw/zinc/83/76/71/776837671.db2.gz GGLBSSYABIUCSF-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001229894888 776913131 /nfs/dbraw/zinc/91/31/31/776913131.db2.gz LTUJJDIZDJHJEO-SNVBAGLBSA-N 1 0 268.288 2.515 20 5 CFBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001229961850 776926391 /nfs/dbraw/zinc/92/63/91/776926391.db2.gz DSOJYOJWQXJYFJ-CYBMUJFWSA-N 1 0 282.727 2.721 20 5 CFBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)c1C ZINC001230982159 777109583 /nfs/dbraw/zinc/10/95/83/777109583.db2.gz ZLRWHDVIYAXWAH-NSHDSACASA-N 1 0 280.388 2.564 20 5 CFBDRO C=Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001233571772 777996848 /nfs/dbraw/zinc/99/68/48/777996848.db2.gz YQWGYMJDUWUUJW-GFCCVEGCSA-N 1 0 250.362 2.812 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)c([N+](=O)[O-])cc1F)C2 ZINC001233597396 778004652 /nfs/dbraw/zinc/00/46/52/778004652.db2.gz LKWXODFBPFFMQJ-MYJAWHEDSA-N 1 0 298.289 2.877 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(F)c1F)C2 ZINC001233765382 778069538 /nfs/dbraw/zinc/06/95/38/778069538.db2.gz UFYVPFFZIJVCBE-MYJAWHEDSA-N 1 0 298.289 2.877 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233778637 778075642 /nfs/dbraw/zinc/07/56/42/778075642.db2.gz LPEOCWWPANCYLC-LLVKDONJSA-N 1 0 287.319 2.616 20 5 CFBDRO CC(C)(C)c1ccc(-n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168262791 778284992 /nfs/dbraw/zinc/28/49/92/778284992.db2.gz WQIURFRGILDZOU-UHFFFAOYSA-N 1 0 274.324 2.537 20 5 CFBDRO Cc1cc(OC2CC[NH+](C)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234872413 778318239 /nfs/dbraw/zinc/31/82/39/778318239.db2.gz VTTRJMWQWULESA-UHFFFAOYSA-N 1 0 278.352 2.993 20 5 CFBDRO Cc1cc(O[C@@H]2CC[N@@H+](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871933 778318405 /nfs/dbraw/zinc/31/84/05/778318405.db2.gz OZTAXIKIGRGVDC-GFCCVEGCSA-N 1 0 264.325 2.603 20 5 CFBDRO Cc1nccc([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001234901761 778325324 /nfs/dbraw/zinc/32/53/24/778325324.db2.gz RXXQSWSIARLYRP-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CCOC(=O)CCCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224391576 778497194 /nfs/dbraw/zinc/49/71/94/778497194.db2.gz PPTPDSGXMRQVFA-AWEZNQCLSA-N 1 0 274.425 2.611 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220768 779165127 /nfs/dbraw/zinc/16/51/27/779165127.db2.gz PYEAFUUMGYGPRW-XNRPHZJLSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000168994362 779618187 /nfs/dbraw/zinc/61/81/87/779618187.db2.gz SZQAQIBVILHGAA-MRVPVSSYSA-N 1 0 291.273 2.976 20 5 CFBDRO COc1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001168601393 780031940 /nfs/dbraw/zinc/03/19/40/780031940.db2.gz NUCPUPFTWSLEKN-AAEUAGOBSA-N 1 0 293.367 2.888 20 5 CFBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000702006571 780867174 /nfs/dbraw/zinc/86/71/74/780867174.db2.gz TXSNYKHIELJHJU-DGCLKSJQSA-N 1 0 266.366 2.887 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000704795998 781117545 /nfs/dbraw/zinc/11/75/45/781117545.db2.gz GYKKGLXBNIZSJF-NSHDSACASA-N 1 0 296.392 2.836 20 5 CFBDRO CC1(C)CO[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000708355575 781270349 /nfs/dbraw/zinc/27/03/49/781270349.db2.gz OLVHAQFEMBCVKL-CQSZACIVSA-N 1 0 278.352 2.542 20 5 CFBDRO CC1(C)CO[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000708355570 781271138 /nfs/dbraw/zinc/27/11/38/781271138.db2.gz OLVHAQFEMBCVKL-AWEZNQCLSA-N 1 0 278.352 2.542 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000708664456 781276998 /nfs/dbraw/zinc/27/69/98/781276998.db2.gz QELYFDJDRUCRKD-UTUOFQBUSA-N 1 0 264.325 2.670 20 5 CFBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000709469519 781311461 /nfs/dbraw/zinc/31/14/61/781311461.db2.gz ICBKDZSHFYILBT-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000709824023 781319447 /nfs/dbraw/zinc/31/94/47/781319447.db2.gz CCFMVYAVAGRVCK-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CN(CCCCCC[NH3+])c1c(Cl)cncc1[N+](=O)[O-] ZINC000710750911 781337483 /nfs/dbraw/zinc/33/74/83/781337483.db2.gz PERXBESCWQYYBD-UHFFFAOYSA-N 1 0 286.763 2.599 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCC2CCC2)cc1 ZINC000711164824 781393200 /nfs/dbraw/zinc/39/32/00/781393200.db2.gz DOSYGCRZGLEKJT-OAHLLOKOSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cs1 ZINC000711427498 781432531 /nfs/dbraw/zinc/43/25/31/781432531.db2.gz PNANJDOCKPSDBA-NSHDSACASA-N 1 0 282.365 2.848 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230914359 781881198 /nfs/dbraw/zinc/88/11/98/781881198.db2.gz HHCHTZYCMXIQPQ-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000124315231 187132262 /nfs/dbraw/zinc/13/22/62/187132262.db2.gz QUXOJNCVOVHDGX-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO COCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594509840 349435247 /nfs/dbraw/zinc/43/52/47/349435247.db2.gz IGFGTWDJSVSKMT-CYBMUJFWSA-N 1 0 276.336 2.598 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594517785 349439191 /nfs/dbraw/zinc/43/91/91/349439191.db2.gz MKDHGERRYULZNA-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594521845 349440879 /nfs/dbraw/zinc/44/08/79/349440879.db2.gz UWDSEEZYHUYRPR-HOTGVXAUSA-N 1 0 289.379 2.701 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000124434506 187136958 /nfs/dbraw/zinc/13/69/58/187136958.db2.gz JTCXQAOVUIPEGT-UONOGXRCSA-N 1 0 266.341 2.797 20 5 CFBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000594739841 349485503 /nfs/dbraw/zinc/48/55/03/349485503.db2.gz YVTBVRGUGYQLPD-UHFFFAOYSA-N 1 0 283.759 2.609 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594723191 349480601 /nfs/dbraw/zinc/48/06/01/349480601.db2.gz YRSDHJIANLMPKG-MPKXVKKWSA-N 1 0 264.325 2.813 20 5 CFBDRO CCOc1cccc(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000273856207 192336739 /nfs/dbraw/zinc/33/67/39/192336739.db2.gz LGCKFDNEGHJFPB-UHFFFAOYSA-N 1 0 291.351 2.667 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000594950034 349525589 /nfs/dbraw/zinc/52/55/89/349525589.db2.gz HCKNUBORJLYJNQ-UHFFFAOYSA-N 1 0 282.315 2.783 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594955864 349528268 /nfs/dbraw/zinc/52/82/68/349528268.db2.gz GCEWUVLGIINDIR-CQSZACIVSA-N 1 0 291.395 2.866 20 5 CFBDRO CC[C@@H](C)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000594968546 349535366 /nfs/dbraw/zinc/53/53/66/349535366.db2.gz RSRIEMJEQYWEDS-SNVBAGLBSA-N 1 0 282.340 2.835 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C1(CO)CC1 ZINC000594970329 349536114 /nfs/dbraw/zinc/53/61/14/349536114.db2.gz YIGHQTPWUSPGID-LLBKUYECSA-N 1 0 290.363 2.749 20 5 CFBDRO CCCN1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594992101 349541339 /nfs/dbraw/zinc/54/13/39/349541339.db2.gz OYZIVPKVGWXCCE-PKYBCLHXSA-N 1 0 289.379 2.682 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000594985905 349539272 /nfs/dbraw/zinc/53/92/72/349539272.db2.gz PKPFLYDXJBSDSF-SWLSCSKDSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000594986746 349539932 /nfs/dbraw/zinc/53/99/32/349539932.db2.gz HFTRBMKBMUQWNS-IDQBRBTGSA-N 1 0 288.347 2.501 20 5 CFBDRO CC1(C)[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1(F)F ZINC000594991625 349541018 /nfs/dbraw/zinc/54/10/18/349541018.db2.gz JVQOXDOHYGCRIT-NSHDSACASA-N 1 0 270.279 2.976 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CC1 ZINC000595007507 349545939 /nfs/dbraw/zinc/54/59/39/349545939.db2.gz PCBUWNASEXXFMX-VIFPVBQESA-N 1 0 250.298 2.664 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000595011204 349547954 /nfs/dbraw/zinc/54/79/54/349547954.db2.gz BPIZHCPZNAKWBC-NWDGAFQWSA-N 1 0 295.383 2.594 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000595012141 349549294 /nfs/dbraw/zinc/54/92/94/349549294.db2.gz BYKKWLSBNVHKEI-GFCCVEGCSA-N 1 0 266.366 2.970 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCSCC1 ZINC000595014351 349550246 /nfs/dbraw/zinc/55/02/46/349550246.db2.gz OTZGHZMMZUVUJA-LBPRGKRZSA-N 1 0 266.366 2.970 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000595014307 349550336 /nfs/dbraw/zinc/55/03/36/349550336.db2.gz NUBGEGAKNYOQFS-UHFFFAOYSA-N 1 0 270.279 2.772 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000595027806 349555761 /nfs/dbraw/zinc/55/57/61/349555761.db2.gz TXENCJLYISWYKV-WOPDTQHZSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000595048341 349563967 /nfs/dbraw/zinc/56/39/67/349563967.db2.gz KKSKOMBLOMKJAC-QWRGUYRKSA-N 1 0 294.351 2.822 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595050057 349565112 /nfs/dbraw/zinc/56/51/12/349565112.db2.gz FGTQIYGCOKONQK-HONMWMINSA-N 1 0 294.351 2.822 20 5 CFBDRO COC[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000595059732 349570428 /nfs/dbraw/zinc/57/04/28/349570428.db2.gz HXSKRHFRXKGRKC-JSGCOSHPSA-N 1 0 296.367 2.605 20 5 CFBDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000595062251 349571385 /nfs/dbraw/zinc/57/13/85/349571385.db2.gz UQKQFUHGJOEQEM-JSGCOSHPSA-N 1 0 296.367 2.605 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2ccncc21 ZINC000067905199 346826865 /nfs/dbraw/zinc/82/68/65/346826865.db2.gz IJZRUWGRZPYHMB-LLVKDONJSA-N 1 0 298.346 2.792 20 5 CFBDRO CCCN1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097149 349581605 /nfs/dbraw/zinc/58/16/05/349581605.db2.gz QIIDCTOWZIROGA-IUODEOHRSA-N 1 0 289.379 2.656 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595071370 349574521 /nfs/dbraw/zinc/57/45/21/349574521.db2.gz YACBBPTZQZRWEX-JTNHKYCSSA-N 1 0 276.336 2.739 20 5 CFBDRO CCS[C@@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595313092 349600542 /nfs/dbraw/zinc/60/05/42/349600542.db2.gz QDLYOUYEAQORAB-LLVKDONJSA-N 1 0 299.396 2.999 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595331167 349603353 /nfs/dbraw/zinc/60/33/53/349603353.db2.gz NYVSXRMEHUYHGD-NSHDSACASA-N 1 0 284.331 2.979 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595410896 349618247 /nfs/dbraw/zinc/61/82/47/349618247.db2.gz UMRIBTBEZGCHRE-JTQLQIEISA-N 1 0 279.340 2.903 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595424112 349621374 /nfs/dbraw/zinc/62/13/74/349621374.db2.gz FGTYZKOKNWHGKG-ZDUSSCGKSA-N 1 0 282.315 2.735 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000269624942 190522375 /nfs/dbraw/zinc/52/23/75/190522375.db2.gz JJEVSIKROQZWGG-UHFFFAOYSA-N 1 0 297.305 2.912 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000595425141 349621776 /nfs/dbraw/zinc/62/17/76/349621776.db2.gz JZNOHHVNBADSRD-CABCVRRESA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1noc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595439074 349626689 /nfs/dbraw/zinc/62/66/89/349626689.db2.gz DGGIUEPOMJKHLI-ATZCPNFKSA-N 1 0 267.329 2.806 20 5 CFBDRO Cc1noc(CN2CC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595466054 349635893 /nfs/dbraw/zinc/63/58/93/349635893.db2.gz OWUKKJLQSPQKAJ-MRVPVSSYSA-N 1 0 293.245 2.666 20 5 CFBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000595468758 349637029 /nfs/dbraw/zinc/63/70/29/349637029.db2.gz LFUZMWPINNSNLT-ZUZCIYMTSA-N 1 0 294.326 2.733 20 5 CFBDRO CCOC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595481880 349639237 /nfs/dbraw/zinc/63/92/37/349639237.db2.gz KCJZVBKEWHKBFH-ZDUSSCGKSA-N 1 0 284.331 2.885 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595481739 349639489 /nfs/dbraw/zinc/63/94/89/349639489.db2.gz GAFGJIALMUCLAP-LDYMZIIASA-N 1 0 270.329 2.575 20 5 CFBDRO Cc1noc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595504672 349644330 /nfs/dbraw/zinc/64/43/30/349644330.db2.gz GHTFDKPETIOBDZ-QWRGUYRKSA-N 1 0 279.340 2.902 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595510855 349646738 /nfs/dbraw/zinc/64/67/38/349646738.db2.gz DIKHPGRDMOCTOW-OWYVNGRQSA-N 1 0 296.342 2.883 20 5 CFBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000595557798 349658821 /nfs/dbraw/zinc/65/88/21/349658821.db2.gz KNRZYVBXTXIUPS-ZDUSSCGKSA-N 1 0 282.315 2.735 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000595535623 349652721 /nfs/dbraw/zinc/65/27/21/349652721.db2.gz IJXBYJXIMMMSPX-ZDUSSCGKSA-N 1 0 291.395 2.819 20 5 CFBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000777 346879917 /nfs/dbraw/zinc/87/99/17/346879917.db2.gz GHKTZLHHIOSYFD-ZDUSSCGKSA-N 1 0 291.351 2.692 20 5 CFBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000595553022 349657410 /nfs/dbraw/zinc/65/74/10/349657410.db2.gz UFWHHKVUKOTKJS-NXEZZACHSA-N 1 0 267.329 2.806 20 5 CFBDRO C[C@]1(C2CC2)CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595618401 349678008 /nfs/dbraw/zinc/67/80/08/349678008.db2.gz OYKYVSKCNSTLEW-OAHLLOKOSA-N 1 0 276.336 2.596 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000125901487 187204090 /nfs/dbraw/zinc/20/40/90/187204090.db2.gz RFCKHAZBEALUOG-NSHDSACASA-N 1 0 264.325 2.835 20 5 CFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679748 349698671 /nfs/dbraw/zinc/69/86/71/349698671.db2.gz XNNGAZZDUZFDKU-XHDPSFHLSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595749097 349723125 /nfs/dbraw/zinc/72/31/25/349723125.db2.gz DLBUEBCLPSQMBM-LRDDRELGSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756875 349725114 /nfs/dbraw/zinc/72/51/14/349725114.db2.gz HCPZQKALWOXYNU-BXUZGUMPSA-N 1 0 296.754 2.717 20 5 CFBDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000595766505 349728281 /nfs/dbraw/zinc/72/82/81/349728281.db2.gz XBTDJBSHHHKRQZ-GFCCVEGCSA-N 1 0 291.351 2.620 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595781019 349731743 /nfs/dbraw/zinc/73/17/43/349731743.db2.gz PARHCZNHFOBGJB-NEPJUHHUSA-N 1 0 264.325 2.594 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC(C)(C)[NH3+] ZINC000595900852 349765574 /nfs/dbraw/zinc/76/55/74/349765574.db2.gz NMTRBKRDVUGWMP-NSHDSACASA-N 1 0 265.357 2.633 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414531309 529626059 /nfs/dbraw/zinc/62/60/59/529626059.db2.gz RSNQUYWIRVAOPW-ZFWWWQNUSA-N 1 0 280.368 2.788 20 5 CFBDRO Cc1cc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596109059 349796280 /nfs/dbraw/zinc/79/62/80/349796280.db2.gz ZXNGKBWWDVARKL-UHFFFAOYSA-N 1 0 283.397 2.743 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000596106070 349795422 /nfs/dbraw/zinc/79/54/22/349795422.db2.gz STPIABFDALOCLQ-NSHDSACASA-N 1 0 281.381 2.639 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000596118726 349798936 /nfs/dbraw/zinc/79/89/36/349798936.db2.gz BXUGYLNPGIGBIK-NSHDSACASA-N 1 0 281.381 2.861 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596140650 349805958 /nfs/dbraw/zinc/80/59/58/349805958.db2.gz CYFKYVMRKMQNOV-LLVKDONJSA-N 1 0 283.397 2.885 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2cccn2)c(Cl)c1 ZINC000126759644 187260515 /nfs/dbraw/zinc/26/05/15/187260515.db2.gz MSBNIHXRQCVQGU-UHFFFAOYSA-N 1 0 294.742 2.625 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596243927 349839056 /nfs/dbraw/zinc/83/90/56/349839056.db2.gz MNQPNIGRHRZVPT-JQWIXIFHSA-N 1 0 281.331 2.571 20 5 CFBDRO C[NH+](C)CC1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000128066981 187349622 /nfs/dbraw/zinc/34/96/22/187349622.db2.gz XROKVEFUOVSUCS-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO COc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307373 349858035 /nfs/dbraw/zinc/85/80/35/349858035.db2.gz LKHAJEGKESVSGV-GFCCVEGCSA-N 1 0 293.367 2.888 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596325588 349864028 /nfs/dbraw/zinc/86/40/28/349864028.db2.gz BNYQDRUWRSNSBC-GFCCVEGCSA-N 1 0 263.341 2.880 20 5 CFBDRO CCOc1cc(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596433787 349901119 /nfs/dbraw/zinc/90/11/19/349901119.db2.gz UEVCUJZAIGIKBD-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO C[C@H](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+](C)C ZINC000596427277 349899951 /nfs/dbraw/zinc/89/99/51/349899951.db2.gz FCUCPDJPKZQRLA-LLVKDONJSA-N 1 0 292.383 2.621 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@H](C)[NH+](C)C ZINC000596430904 349901234 /nfs/dbraw/zinc/90/12/34/349901234.db2.gz MBMWRCCRKYNGEL-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO Cc1cc(NCCC[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000074727087 347029004 /nfs/dbraw/zinc/02/90/04/347029004.db2.gz STJOYXIYYAXXBT-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596480140 349914521 /nfs/dbraw/zinc/91/45/21/349914521.db2.gz WEUNXRLEWHCHJK-LBPRGKRZSA-N 1 0 290.367 2.809 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413263598 530051464 /nfs/dbraw/zinc/05/14/64/530051464.db2.gz IMMKDARYPMICOJ-LBPRGKRZSA-N 1 0 296.346 2.661 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000413431013 530055128 /nfs/dbraw/zinc/05/51/28/530055128.db2.gz AHNNHWVJFFDGLX-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000097931096 232183787 /nfs/dbraw/zinc/18/37/87/232183787.db2.gz HRLXDEFOLKAEFC-UHFFFAOYSA-N 1 0 297.786 2.822 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280929 232194318 /nfs/dbraw/zinc/19/43/18/232194318.db2.gz PHCZVPLFRPVCGW-NSHDSACASA-N 1 0 297.786 2.632 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000097435937 185603091 /nfs/dbraw/zinc/60/30/91/185603091.db2.gz HTNHFEUXJKECSX-PWSUYJOCSA-N 1 0 266.341 2.572 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000022805259 346250317 /nfs/dbraw/zinc/25/03/17/346250317.db2.gz DXSHJWPWVNZUGR-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000029952399 346284637 /nfs/dbraw/zinc/28/46/37/346284637.db2.gz JAIWPORECSQKCY-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000027132804 346268043 /nfs/dbraw/zinc/26/80/43/346268043.db2.gz OESXZHYLMUUDMX-LLVKDONJSA-N 1 0 293.367 2.900 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295138985 199366886 /nfs/dbraw/zinc/36/68/86/199366886.db2.gz ZFJYIKDHPBBMBU-VIFPVBQESA-N 1 0 286.759 2.887 20 5 CFBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000036966906 346324833 /nfs/dbraw/zinc/32/48/33/346324833.db2.gz JPDSOFUJFUKZBY-SNVBAGLBSA-N 1 0 281.331 2.876 20 5 CFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000042752725 346370589 /nfs/dbraw/zinc/37/05/89/346370589.db2.gz QPLUWLXPAUHPOD-UHFFFAOYSA-N 1 0 289.291 2.502 20 5 CFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000046783004 346434111 /nfs/dbraw/zinc/43/41/11/346434111.db2.gz AREZOUYUEGLIHL-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)C1 ZINC000075685577 347092731 /nfs/dbraw/zinc/09/27/31/347092731.db2.gz QMUONUXYFCTRBF-OLZOCXBDSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000047703424 346457665 /nfs/dbraw/zinc/45/76/65/346457665.db2.gz VGXLLLUBTRHHQA-RYUDHWBXSA-N 1 0 264.325 2.624 20 5 CFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000048999742 346478430 /nfs/dbraw/zinc/47/84/30/346478430.db2.gz ZEUZSLNQSNRRCT-UHFFFAOYSA-N 1 0 269.370 2.800 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C[NH2+]C ZINC000596655035 349969379 /nfs/dbraw/zinc/96/93/79/349969379.db2.gz SFEQDHHMOTYXIB-NWDGAFQWSA-N 1 0 297.424 2.663 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051228272 346501830 /nfs/dbraw/zinc/50/18/30/346501830.db2.gz YQEJHHQQTRHYHZ-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)cs1 ZINC000054175133 346562109 /nfs/dbraw/zinc/56/21/09/346562109.db2.gz RAVCABCFQHPZAV-SNVBAGLBSA-N 1 0 282.365 2.657 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000052908457 346532200 /nfs/dbraw/zinc/53/22/00/346532200.db2.gz RDUSHGDPCHBSFY-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196058 346604009 /nfs/dbraw/zinc/60/40/09/346604009.db2.gz OUUYQXWKIKPTQJ-RYUDHWBXSA-N 1 0 293.367 2.550 20 5 CFBDRO CCCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000058874912 346651627 /nfs/dbraw/zinc/65/16/27/346651627.db2.gz XNDJNHSWNUOGKP-UHFFFAOYSA-N 1 0 280.324 2.693 20 5 CFBDRO COC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000064558863 346723602 /nfs/dbraw/zinc/72/36/02/346723602.db2.gz NTRGDYWHMPAXTA-UHFFFAOYSA-N 1 0 294.351 2.616 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000063188563 346697413 /nfs/dbraw/zinc/69/74/13/346697413.db2.gz BRRAXXVTBAFXGR-QWHCGFSZSA-N 1 0 295.408 2.763 20 5 CFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](C2CC2)CC1 ZINC000063257468 346698586 /nfs/dbraw/zinc/69/85/86/346698586.db2.gz SRNDVTWHJDMXAU-UHFFFAOYSA-N 1 0 267.354 2.695 20 5 CFBDRO C[C@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075894609 347107566 /nfs/dbraw/zinc/10/75/66/347107566.db2.gz VIGAVKQWVGASCD-RYUDHWBXSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076110758 347121155 /nfs/dbraw/zinc/12/11/55/347121155.db2.gz VKRZOTJNDXYIMH-TXEJJXNPSA-N 1 0 264.325 2.561 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000076795521 347154384 /nfs/dbraw/zinc/15/43/84/347154384.db2.gz PZIUXRKTIXSRHS-CYBMUJFWSA-N 1 0 292.383 2.914 20 5 CFBDRO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078251472 347234909 /nfs/dbraw/zinc/23/49/09/347234909.db2.gz NGQIZQBHYWDZAM-UHFFFAOYSA-N 1 0 263.341 2.517 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000308381979 232644839 /nfs/dbraw/zinc/64/48/39/232644839.db2.gz XFCVLBYEDZMYRI-CABCVRRESA-N 1 0 290.363 2.950 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000078562789 347261847 /nfs/dbraw/zinc/26/18/47/347261847.db2.gz AZUYWMVBYKKCOO-GFCCVEGCSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000078559616 347261882 /nfs/dbraw/zinc/26/18/82/347261882.db2.gz OCRGXGPPDDQQGD-ZDUSSCGKSA-N 1 0 277.368 2.763 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000078967170 347282146 /nfs/dbraw/zinc/28/21/46/347282146.db2.gz IEEDCZKVQCQWAP-NSHDSACASA-N 1 0 299.330 2.545 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000079901288 347331176 /nfs/dbraw/zinc/33/11/76/347331176.db2.gz LESSTJVVPYSNSB-NEPJUHHUSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)C[NH3+] ZINC000312270699 232656075 /nfs/dbraw/zinc/65/60/75/232656075.db2.gz IIJYLJLTLVTMRP-QMTHXVAHSA-N 1 0 297.786 2.665 20 5 CFBDRO Cc1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000080542988 347365285 /nfs/dbraw/zinc/36/52/85/347365285.db2.gz ALGHKOPDXIUOCS-UHFFFAOYSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1nn(C)c(NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000080606297 347369646 /nfs/dbraw/zinc/36/96/46/347369646.db2.gz ITLNFCMNMLFDSX-UHFFFAOYSA-N 1 0 297.403 2.558 20 5 CFBDRO CC1CCC(O)(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000087062021 347490472 /nfs/dbraw/zinc/49/04/72/347490472.db2.gz CNJLVPUODQXRHY-UHFFFAOYSA-N 1 0 292.379 2.668 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000090774127 347556229 /nfs/dbraw/zinc/55/62/29/347556229.db2.gz FYYAASWYCYUHNV-CFVMTHIKSA-N 1 0 290.363 2.685 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000091484959 347590721 /nfs/dbraw/zinc/59/07/21/347590721.db2.gz CUSBKHSXARMTOS-CYBMUJFWSA-N 1 0 277.368 2.763 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000092652099 347636432 /nfs/dbraw/zinc/63/64/32/347636432.db2.gz ISJVZSDGGAXTCP-AWEZNQCLSA-N 1 0 275.352 2.799 20 5 CFBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000092650607 347636465 /nfs/dbraw/zinc/63/64/65/347636465.db2.gz TVOYQMYTMHDZMG-AWEZNQCLSA-N 1 0 263.341 2.655 20 5 CFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000114474410 347771897 /nfs/dbraw/zinc/77/18/97/347771897.db2.gz IIVFAZXVLPMVBK-LLVKDONJSA-N 1 0 266.341 2.998 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCOCC1 ZINC000119025835 347799237 /nfs/dbraw/zinc/79/92/37/347799237.db2.gz PCDXEDKNKGSSMN-NSHDSACASA-N 1 0 264.325 2.733 20 5 CFBDRO C[C@@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603206 347816118 /nfs/dbraw/zinc/81/61/18/347816118.db2.gz SRPXISZKRDQJFQ-GHMZBOCLSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@H]1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000130051816 347866642 /nfs/dbraw/zinc/86/66/42/347866642.db2.gz XSFDUCTVOWQLBI-RYUDHWBXSA-N 1 0 278.352 2.683 20 5 CFBDRO CCC[C@H]([NH2+]C[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000086626247 179312880 /nfs/dbraw/zinc/31/28/80/179312880.db2.gz YBCUAAHAKHHUIY-FZMZJTMJSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000135181106 347905078 /nfs/dbraw/zinc/90/50/78/347905078.db2.gz IVLCAHYCRCKQHM-RYUDHWBXSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000159344914 348012273 /nfs/dbraw/zinc/01/22/73/348012273.db2.gz CWBGZNRTTZDRFQ-GFCCVEGCSA-N 1 0 278.356 2.524 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000517946234 260324380 /nfs/dbraw/zinc/32/43/80/260324380.db2.gz ZOPJBTIEYXCQHE-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO CSCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154741281 347982564 /nfs/dbraw/zinc/98/25/64/347982564.db2.gz KQMJJNNUORVSFY-ZDUSSCGKSA-N 1 0 280.393 2.869 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000168260699 348048044 /nfs/dbraw/zinc/04/80/44/348048044.db2.gz CZIHZHHCUBLVFT-MRXNPFEDSA-N 1 0 286.331 2.808 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000168260602 348048284 /nfs/dbraw/zinc/04/82/84/348048284.db2.gz CZIHZHHCUBLVFT-INIZCTEOSA-N 1 0 286.331 2.808 20 5 CFBDRO C[C@H]1CSCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000172587552 348099077 /nfs/dbraw/zinc/09/90/77/348099077.db2.gz VTUPIULKQGZRGY-VIFPVBQESA-N 1 0 270.329 2.671 20 5 CFBDRO CC(C)(C)C[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226094645 348181204 /nfs/dbraw/zinc/18/12/04/348181204.db2.gz RZUDPYGDGHMZGA-CQSZACIVSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000227463596 348186988 /nfs/dbraw/zinc/18/69/88/348186988.db2.gz VPYRQKWFECOJCL-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO Cc1cnccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228671698 348197706 /nfs/dbraw/zinc/19/77/06/348197706.db2.gz AUHXWMRBFBAXRV-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250072600 348285661 /nfs/dbraw/zinc/28/56/61/348285661.db2.gz ALEUHBJALHEQNI-GDBMZVCRSA-N 1 0 289.379 2.701 20 5 CFBDRO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000251767283 348293898 /nfs/dbraw/zinc/29/38/98/348293898.db2.gz MGFFCLKHGFGCJD-BZPMIXESSA-N 1 0 277.368 2.715 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000271012037 348331563 /nfs/dbraw/zinc/33/15/63/348331563.db2.gz POKKVHNLFFTMJY-CQSZACIVSA-N 1 0 278.352 2.640 20 5 CFBDRO Cc1cc(OC[C@H]2CC[NH2+]C2)c(Cl)cc1[N+](=O)[O-] ZINC000310695163 348410487 /nfs/dbraw/zinc/41/04/87/348410487.db2.gz PBGQIIZQTKAMCY-VIFPVBQESA-N 1 0 270.716 2.545 20 5 CFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)CCCCC1 ZINC000413024019 233005356 /nfs/dbraw/zinc/00/53/56/233005356.db2.gz LFMNUUYHGRHPON-UHFFFAOYSA-N 1 0 296.346 2.805 20 5 CFBDRO COCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000312703493 348420439 /nfs/dbraw/zinc/42/04/39/348420439.db2.gz ODLNPJPQWLYDPO-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H](C[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000313807774 348423855 /nfs/dbraw/zinc/42/38/55/348423855.db2.gz HRSTVKCIDZJRFN-LBPRGKRZSA-N 1 0 295.358 2.698 20 5 CFBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000314473607 348426242 /nfs/dbraw/zinc/42/62/42/348426242.db2.gz ZSQVZBGHFPYMKU-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402280831 348581611 /nfs/dbraw/zinc/58/16/11/348581611.db2.gz GBLJBVSTVTYREI-MDZLAQPJSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403455747 348585206 /nfs/dbraw/zinc/58/52/06/348585206.db2.gz HAMXDPTXHYAMCG-MELADBBJSA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000413272708 233044374 /nfs/dbraw/zinc/04/43/74/233044374.db2.gz XWDVGPAPLHRMNJ-LLVKDONJSA-N 1 0 294.330 2.558 20 5 CFBDRO C[NH+](C)CC1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413210603 233035685 /nfs/dbraw/zinc/03/56/85/233035685.db2.gz VXHKQQCQERKVAW-UHFFFAOYSA-N 1 0 296.346 2.661 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000584750553 348711629 /nfs/dbraw/zinc/71/16/29/348711629.db2.gz MVTWOGSLSNJTAY-DGCLKSJQSA-N 1 0 266.341 2.979 20 5 CFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000273943693 192373152 /nfs/dbraw/zinc/37/31/52/192373152.db2.gz DPOBFCLRGSYCKQ-PWSUYJOCSA-N 1 0 294.351 2.581 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589113428 348811361 /nfs/dbraw/zinc/81/13/61/348811361.db2.gz KYNMNHZYHWJEPO-UHFFFAOYSA-N 1 0 298.774 2.610 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000589189362 348817868 /nfs/dbraw/zinc/81/78/68/348817868.db2.gz SWECOVGWZQCQQQ-RPHSKFLZSA-N 1 0 278.352 2.965 20 5 CFBDRO Cc1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000589268999 348823035 /nfs/dbraw/zinc/82/30/35/348823035.db2.gz IZLFKUAQKZYERX-UHFFFAOYSA-N 1 0 289.335 2.874 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000589571644 348838925 /nfs/dbraw/zinc/83/89/25/348838925.db2.gz BIUFLUOZPIXIMB-VIFPVBQESA-N 1 0 257.359 2.799 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000413450517 233075137 /nfs/dbraw/zinc/07/51/37/233075137.db2.gz YHUZRUPHLZATOJ-CYBMUJFWSA-N 1 0 292.383 2.750 20 5 CFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](C)OC ZINC000589753368 348855344 /nfs/dbraw/zinc/85/53/44/348855344.db2.gz QWFANVWVMTZROM-SNVBAGLBSA-N 1 0 293.323 2.593 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccsc3[N+](=O)[O-])C2)C1 ZINC000590141957 348877854 /nfs/dbraw/zinc/87/78/54/348877854.db2.gz ZKFRBFGSJVUMAA-CYBMUJFWSA-N 1 0 281.381 2.578 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000590725986 348937657 /nfs/dbraw/zinc/93/76/57/348937657.db2.gz CQEPFDMDFQZVLB-SNVBAGLBSA-N 1 0 269.370 2.577 20 5 CFBDRO Cc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754424 348942545 /nfs/dbraw/zinc/94/25/45/348942545.db2.gz HDVFVFWFWLSJKU-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1 ZINC000590970340 348974545 /nfs/dbraw/zinc/97/45/45/348974545.db2.gz VKEXZMKSAUZUPT-CABCVRRESA-N 1 0 288.347 2.596 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2sccc2[N+](=O)[O-])C1 ZINC000591179123 348997147 /nfs/dbraw/zinc/99/71/47/348997147.db2.gz RHOGJSSACWHTMH-SNVBAGLBSA-N 1 0 269.370 2.800 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CC1)CCCC2 ZINC000591348011 349010922 /nfs/dbraw/zinc/01/09/22/349010922.db2.gz SMCDVPKGFLVXJN-HNNXBMFYSA-N 1 0 290.363 2.724 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447866 349023280 /nfs/dbraw/zinc/02/32/80/349023280.db2.gz BCGJBKJHARYLSU-XEZPLFJOSA-N 1 0 289.379 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCCC[NH2+]1)CCC2 ZINC000591578036 349032014 /nfs/dbraw/zinc/03/20/14/349032014.db2.gz OYADWUIBLFHVQD-BBRMVZONSA-N 1 0 289.379 2.704 20 5 CFBDRO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582664 349032694 /nfs/dbraw/zinc/03/26/94/349032694.db2.gz SRBHKPSBYIQQBI-OCCSQVGLSA-N 1 0 289.379 2.920 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592186969 349096264 /nfs/dbraw/zinc/09/62/64/349096264.db2.gz IHIRYSDZZQRDBW-CYBMUJFWSA-N 1 0 290.363 2.781 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357975 349108865 /nfs/dbraw/zinc/10/88/65/349108865.db2.gz ZWSSATDLPZCDRL-AEZGRPFRSA-N 1 0 286.291 2.573 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592372550 349110325 /nfs/dbraw/zinc/11/03/25/349110325.db2.gz KVMONPIVVWSNAF-SECBINFHSA-N 1 0 258.268 2.976 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000592366885 349110577 /nfs/dbraw/zinc/11/05/77/349110577.db2.gz FRKCKVPBHUCWDO-JOYOIKCWSA-N 1 0 284.743 2.558 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000592373062 349111101 /nfs/dbraw/zinc/11/11/01/349111101.db2.gz SJIFPWGDEHJDGL-UHFFFAOYSA-N 1 0 282.315 2.640 20 5 CFBDRO CCCC[C@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000592375423 349111983 /nfs/dbraw/zinc/11/19/83/349111983.db2.gz RSWAJKQECYCDSS-GFCCVEGCSA-N 1 0 272.370 2.687 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000592424298 349118412 /nfs/dbraw/zinc/11/84/12/349118412.db2.gz BTABJUWOQHHNLR-UHFFFAOYSA-N 1 0 289.379 2.620 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000592466568 349126014 /nfs/dbraw/zinc/12/60/14/349126014.db2.gz PRJVSXQWRGLLTP-VXGBXAGGSA-N 1 0 290.367 2.550 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000593027610 349189708 /nfs/dbraw/zinc/18/97/08/349189708.db2.gz SUWNLCRNGKBWIC-MFKMUULPSA-N 1 0 292.335 2.660 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593111743 349211029 /nfs/dbraw/zinc/21/10/29/349211029.db2.gz IEVMDSWHNHXXRB-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593115480 349212064 /nfs/dbraw/zinc/21/20/64/349212064.db2.gz JRDPXGOHIUVOFX-GFCCVEGCSA-N 1 0 268.263 2.826 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593114484 349212374 /nfs/dbraw/zinc/21/23/74/349212374.db2.gz CSEGJGJUJZDLKT-CYBMUJFWSA-N 1 0 298.289 2.705 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119537 349215639 /nfs/dbraw/zinc/21/56/39/349215639.db2.gz ZLPZRLOGBRMPCX-CYBMUJFWSA-N 1 0 298.289 2.835 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000593050140 349194339 /nfs/dbraw/zinc/19/43/39/349194339.db2.gz CANLPBHILKMCGW-MFKMUULPSA-N 1 0 284.331 2.621 20 5 CFBDRO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593054487 349196104 /nfs/dbraw/zinc/19/61/04/349196104.db2.gz DYKJPPZRWLBRLS-OAHLLOKOSA-N 1 0 278.352 2.984 20 5 CFBDRO COc1cc(N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593517920 349288593 /nfs/dbraw/zinc/28/85/93/349288593.db2.gz UXLDEZPXZLHANQ-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[NH+](C)C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593478783 349279160 /nfs/dbraw/zinc/27/91/60/349279160.db2.gz HJUSQRBPISEQHS-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)C2CCOCC2)cs1 ZINC000593669185 349307465 /nfs/dbraw/zinc/30/74/65/349307465.db2.gz WCIXFKAYBNKXNA-CQSZACIVSA-N 1 0 296.392 2.951 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1(CO)CCC1 ZINC000593694162 349311233 /nfs/dbraw/zinc/31/12/33/349311233.db2.gz XCEBTAQFBPZINM-UTCJRWHESA-N 1 0 290.363 2.750 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000594495249 349430102 /nfs/dbraw/zinc/43/01/02/349430102.db2.gz OXUBPQDOZWBXMI-JQWIXIFHSA-N 1 0 266.366 2.969 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000597079381 350025653 /nfs/dbraw/zinc/02/56/53/350025653.db2.gz RZSQAWPIKPWDDI-JVLSTEMRSA-N 1 0 276.336 2.813 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CCOC ZINC000414479902 233264158 /nfs/dbraw/zinc/26/41/58/233264158.db2.gz JAPUGZGVANCDBK-LBPRGKRZSA-N 1 0 296.367 2.756 20 5 CFBDRO COCC[C@@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414479951 233265909 /nfs/dbraw/zinc/26/59/09/233265909.db2.gz JHNLQTCOKWKUAG-SCXUMTSISA-N 1 0 278.352 2.870 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597204144 350055050 /nfs/dbraw/zinc/05/50/50/350055050.db2.gz FPNQWLRYEKVGDI-INIZCTEOSA-N 1 0 290.363 2.640 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000597224037 350062505 /nfs/dbraw/zinc/06/25/05/350062505.db2.gz CAONMNGRYVFMKH-OLZOCXBDSA-N 1 0 278.352 2.903 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414517842 233279013 /nfs/dbraw/zinc/27/90/13/233279013.db2.gz RKWBOXVAXRFFPA-OBJOEFQTSA-N 1 0 278.352 2.806 20 5 CFBDRO COCCCOCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000091101926 180097795 /nfs/dbraw/zinc/09/77/95/180097795.db2.gz PAUCEZITDFLGLG-ZDUSSCGKSA-N 1 0 296.367 2.641 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271265041 191037611 /nfs/dbraw/zinc/03/76/11/191037611.db2.gz BIPZTGMZHKWJPW-NXEZZACHSA-N 1 0 270.354 2.561 20 5 CFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000104667982 186012214 /nfs/dbraw/zinc/01/22/14/186012214.db2.gz BGSMYYUWGNOBFI-UHFFFAOYSA-N 1 0 287.319 2.887 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598645347 350300646 /nfs/dbraw/zinc/30/06/46/350300646.db2.gz HFOWSOLUIUMCQF-DYEKYZERSA-N 1 0 278.352 2.606 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000598650018 350302301 /nfs/dbraw/zinc/30/23/01/350302301.db2.gz XCGAJQGHZBTYNG-JTQLQIEISA-N 1 0 256.252 2.730 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCCOC1 ZINC000599057324 350367590 /nfs/dbraw/zinc/36/75/90/350367590.db2.gz MFYJOJAHFHDRPB-WFASDCNBSA-N 1 0 290.363 2.988 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985613 350354022 /nfs/dbraw/zinc/35/40/22/350354022.db2.gz WFKWOPVCZJQGJY-GFCCVEGCSA-N 1 0 294.351 2.510 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OCC ZINC000598989903 350354822 /nfs/dbraw/zinc/35/48/22/350354822.db2.gz VASAWBCKGQFFGE-CQSZACIVSA-N 1 0 266.341 2.890 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000598997126 350356289 /nfs/dbraw/zinc/35/62/89/350356289.db2.gz WVKLJYKYDMOVBP-KGLIPLIRSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599007624 350358129 /nfs/dbraw/zinc/35/81/29/350358129.db2.gz RFSSTFCKEUABSH-JAZSXILNSA-N 1 0 288.347 2.765 20 5 CFBDRO CO[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599039593 350362939 /nfs/dbraw/zinc/36/29/39/350362939.db2.gz BGUVBXLVDCRZFQ-GFCCVEGCSA-N 1 0 287.319 2.758 20 5 CFBDRO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599071828 350370712 /nfs/dbraw/zinc/37/07/12/350370712.db2.gz UKTBSNGFTDWCMY-ZIAGYGMSSA-N 1 0 291.395 2.977 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599071924 350370965 /nfs/dbraw/zinc/37/09/65/350370965.db2.gz BWJRLYJVCMJOKL-GDLCADMTSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599166728 350388097 /nfs/dbraw/zinc/38/80/97/350388097.db2.gz ZFDDQJFWVLXRMS-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000092300589 180358988 /nfs/dbraw/zinc/35/89/88/180358988.db2.gz NRZUXIYULDOSOI-ZDUSSCGKSA-N 1 0 284.315 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553378 350455031 /nfs/dbraw/zinc/45/50/31/350455031.db2.gz ROSNOWYSBRWYOR-OLZOCXBDSA-N 1 0 294.376 2.770 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[NH+](C1CC1)C1CC1 ZINC000599594680 350462465 /nfs/dbraw/zinc/46/24/65/350462465.db2.gz RFPHCRVFECERCB-UHFFFAOYSA-N 1 0 262.309 2.600 20 5 CFBDRO Cc1c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000599627821 350466933 /nfs/dbraw/zinc/46/69/33/350466933.db2.gz ZPPAFSQPKFXLRW-OXUWNYNTSA-N 1 0 278.352 2.805 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599626759 350467243 /nfs/dbraw/zinc/46/72/43/350467243.db2.gz ZLOBEALLZIZNHH-QOBXEIRBSA-N 1 0 282.315 2.635 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000599673319 350478787 /nfs/dbraw/zinc/47/87/87/350478787.db2.gz YVNNINMKAKKBRK-CYBMUJFWSA-N 1 0 295.358 2.633 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600190323 350536041 /nfs/dbraw/zinc/53/60/41/350536041.db2.gz ICXPECAQVSGYQV-PPDKRDKTSA-N 1 0 258.321 2.950 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000108079091 186202853 /nfs/dbraw/zinc/20/28/53/186202853.db2.gz LXIYJRFKKMSWHZ-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO CC1CC[NH+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000108081463 186203304 /nfs/dbraw/zinc/20/33/04/186203304.db2.gz SPDAPKWCJVSFID-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000600675261 350595057 /nfs/dbraw/zinc/59/50/57/350595057.db2.gz KMEVXERNGCJTML-IONNQARKSA-N 1 0 271.267 2.695 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000109747337 186270794 /nfs/dbraw/zinc/27/07/94/186270794.db2.gz GNFCQVZRRKEYQM-UHFFFAOYSA-N 1 0 294.395 2.868 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000600784551 350611192 /nfs/dbraw/zinc/61/11/92/350611192.db2.gz MFJMNYJZNJMPGW-MRXNPFEDSA-N 1 0 284.315 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000600788516 350611998 /nfs/dbraw/zinc/61/19/98/350611998.db2.gz LACZZICYBWHPLW-CYBMUJFWSA-N 1 0 283.331 2.809 20 5 CFBDRO Cc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000600789570 350612076 /nfs/dbraw/zinc/61/20/76/350612076.db2.gz GCUTUJINKRQKII-UHFFFAOYSA-N 1 0 275.333 2.672 20 5 CFBDRO C[C@@H]1Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2C[NH2+]1 ZINC000600788339 350612230 /nfs/dbraw/zinc/61/22/30/350612230.db2.gz ICDFPTRJACJHMW-SNVBAGLBSA-N 1 0 269.304 2.691 20 5 CFBDRO C[C@H](Nc1ncc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000601119630 350674060 /nfs/dbraw/zinc/67/40/60/350674060.db2.gz UWHMKIWOBHLTAY-VIFPVBQESA-N 1 0 284.335 2.517 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000601155635 350683690 /nfs/dbraw/zinc/68/36/90/350683690.db2.gz CKVMCGQGJUAVDI-ZFWWWQNUSA-N 1 0 278.352 2.721 20 5 CFBDRO C[C@@H]1CC[C@@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)O1 ZINC000601173237 350688680 /nfs/dbraw/zinc/68/86/80/350688680.db2.gz TUTNFCZWHPZDTC-PWSUYJOCSA-N 1 0 287.319 2.544 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000601189719 350692149 /nfs/dbraw/zinc/69/21/49/350692149.db2.gz MFDVNIXRQKQUES-RYUDHWBXSA-N 1 0 294.330 2.558 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601192525 350693043 /nfs/dbraw/zinc/69/30/43/350693043.db2.gz YBLRHTLALGHLNQ-SECBINFHSA-N 1 0 269.370 2.941 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601191103 350693261 /nfs/dbraw/zinc/69/32/61/350693261.db2.gz IAJUHGNUYWSXIG-SNVBAGLBSA-N 1 0 296.346 2.661 20 5 CFBDRO CC1([NH+]2CCCC2)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000601215658 350699374 /nfs/dbraw/zinc/69/93/74/350699374.db2.gz AIHWPPBNPZZWDU-UHFFFAOYSA-N 1 0 296.396 2.506 20 5 CFBDRO CCC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601289341 350717738 /nfs/dbraw/zinc/71/77/38/350717738.db2.gz LLCSLZBSKYHIMS-OSAQELSMSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000601288639 350717757 /nfs/dbraw/zinc/71/77/57/350717757.db2.gz ACZAJBBDRISYQD-YPMHNXCESA-N 1 0 266.341 2.797 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000601289826 350718647 /nfs/dbraw/zinc/71/86/47/350718647.db2.gz UGHZLCWSNUOZME-RYUDHWBXSA-N 1 0 296.367 2.805 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](O)C(F)F ZINC000601298720 350719176 /nfs/dbraw/zinc/71/91/76/350719176.db2.gz JKPUWVGZBCIPHU-JOYOIKCWSA-N 1 0 288.294 2.570 20 5 CFBDRO Cc1csc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602508611 350909341 /nfs/dbraw/zinc/90/93/41/350909341.db2.gz CRSCGXVGIQAWGF-UHFFFAOYSA-N 1 0 291.376 2.735 20 5 CFBDRO CC(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602508646 350909646 /nfs/dbraw/zinc/90/96/46/350909646.db2.gz VMFWMHVYTYIELZ-UHFFFAOYSA-N 1 0 279.159 2.917 20 5 CFBDRO C[C@H]([NH2+]CCC[C@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC000602518311 350911924 /nfs/dbraw/zinc/91/19/24/350911924.db2.gz PLECTBSJBUQYFX-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[C@@H](C)[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)OC ZINC000602580456 350932627 /nfs/dbraw/zinc/93/26/27/350932627.db2.gz NCDBLWKQQKDUOW-IUODEOHRSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000602579776 350932754 /nfs/dbraw/zinc/93/27/54/350932754.db2.gz GUFOVAUMCZGMAN-PWSUYJOCSA-N 1 0 266.366 2.621 20 5 CFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602581515 350933564 /nfs/dbraw/zinc/93/35/64/350933564.db2.gz JIKKQGHJCAYCNH-HIFRSBDPSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(C(F)F)CC3)nc2c1 ZINC000602645686 350959881 /nfs/dbraw/zinc/95/98/81/350959881.db2.gz YLFDGAXERVUCIO-UHFFFAOYSA-N 1 0 297.261 2.871 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CC(F)(F)C3)nc2c1 ZINC000602670936 350969689 /nfs/dbraw/zinc/96/96/89/350969689.db2.gz HYPWWPDODOJIMB-UHFFFAOYSA-N 1 0 297.261 2.871 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602672706 350971889 /nfs/dbraw/zinc/97/18/89/350971889.db2.gz FTYBEQORHIWIJI-NSHDSACASA-N 1 0 293.323 2.641 20 5 CFBDRO CCC1([NH+](C)C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602737436 351008106 /nfs/dbraw/zinc/00/81/06/351008106.db2.gz CGTAWZRNGPGZCP-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602705175 350989931 /nfs/dbraw/zinc/98/99/31/350989931.db2.gz ZUOPFUVVJDHMFX-WPRPVWTQSA-N 1 0 293.348 2.720 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602705777 350990380 /nfs/dbraw/zinc/99/03/80/350990380.db2.gz PLHZTMKZOVCPEL-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602723003 351000166 /nfs/dbraw/zinc/00/01/66/351000166.db2.gz KFMNXAHNKLJUOU-AWEZNQCLSA-N 1 0 280.368 2.524 20 5 CFBDRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602761914 351015698 /nfs/dbraw/zinc/01/56/98/351015698.db2.gz ZSWKTAXUHPLHPT-AWEZNQCLSA-N 1 0 288.351 2.815 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000602777970 351021352 /nfs/dbraw/zinc/02/13/52/351021352.db2.gz AGOFVEDTMYCXTP-NEPJUHHUSA-N 1 0 280.372 2.610 20 5 CFBDRO C[C@@H]1OCC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602783704 351023975 /nfs/dbraw/zinc/02/39/75/351023975.db2.gz KTVPWFBFBLXUND-JSGCOSHPSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000602787024 351024656 /nfs/dbraw/zinc/02/46/56/351024656.db2.gz GBPSYIYCSOBSBF-CQSZACIVSA-N 1 0 294.399 2.858 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000602785234 351025048 /nfs/dbraw/zinc/02/50/48/351025048.db2.gz SNYQUQUASJZOPU-XBFCOCLRSA-N 1 0 292.383 2.753 20 5 CFBDRO O=c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc[nH]1 ZINC000602800587 351030725 /nfs/dbraw/zinc/03/07/25/351030725.db2.gz QQHXPDIUOFDUSR-UHFFFAOYSA-N 1 0 299.330 2.860 20 5 CFBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807318 351033033 /nfs/dbraw/zinc/03/30/33/351033033.db2.gz XUHNIXCNTSYQCG-RYUDHWBXSA-N 1 0 288.351 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000602813429 351035600 /nfs/dbraw/zinc/03/56/00/351035600.db2.gz XNUGWJQVVYGVMF-KBPBESRZSA-N 1 0 294.399 2.904 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCCC1(C)C ZINC000602813750 351035980 /nfs/dbraw/zinc/03/59/80/351035980.db2.gz XSOHVAKVWRYUDY-LBPRGKRZSA-N 1 0 280.372 2.658 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000602819246 351036922 /nfs/dbraw/zinc/03/69/22/351036922.db2.gz BTXIUEKCHDDJRD-LBPRGKRZSA-N 1 0 280.372 2.610 20 5 CFBDRO C[C@H]1OCC[C@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602842415 351043295 /nfs/dbraw/zinc/04/32/95/351043295.db2.gz VECWPPOHQSBVAU-NEPJUHHUSA-N 1 0 278.352 2.845 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602881656 351057323 /nfs/dbraw/zinc/05/73/23/351057323.db2.gz RKPMQWMMDDRDOH-HNNXBMFYSA-N 1 0 286.335 2.698 20 5 CFBDRO CCC[C@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185567 351115684 /nfs/dbraw/zinc/11/56/84/351115684.db2.gz JAAXXCCFMOIUII-GWCFXTLKSA-N 1 0 289.339 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000602997688 351088483 /nfs/dbraw/zinc/08/84/83/351088483.db2.gz OWKIGRCSUPWCIG-PMPSAXMXSA-N 1 0 290.363 2.720 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000603432591 351163950 /nfs/dbraw/zinc/16/39/50/351163950.db2.gz JFOZQRCVASUJSD-TYNCELHUSA-N 1 0 277.368 2.543 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000603432590 351163964 /nfs/dbraw/zinc/16/39/64/351163964.db2.gz JFOZQRCVASUJSD-LALPHHSUSA-N 1 0 277.368 2.543 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cccnc2[N+](=O)[O-])C1 ZINC000603859683 351187303 /nfs/dbraw/zinc/18/73/03/351187303.db2.gz RSMKABVWBAOQHI-BETUJISGSA-N 1 0 292.383 2.770 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604323385 351206976 /nfs/dbraw/zinc/20/69/76/351206976.db2.gz LPFUPDICHJETPU-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000609595529 351510845 /nfs/dbraw/zinc/51/08/45/351510845.db2.gz LEDBKWXTUUZIKX-CYBMUJFWSA-N 1 0 277.368 2.870 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609595502 351511215 /nfs/dbraw/zinc/51/12/15/351511215.db2.gz DBMNHOFDLXRHPP-UHFFFAOYSA-N 1 0 269.370 2.623 20 5 CFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2cccnc2[N+](=O)[O-])C1 ZINC000608856125 351479951 /nfs/dbraw/zinc/47/99/51/351479951.db2.gz PFALTKDBNGZFPH-GFCCVEGCSA-N 1 0 292.383 2.912 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000609839949 351521785 /nfs/dbraw/zinc/52/17/85/351521785.db2.gz PZFLUQDPYSWTBB-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000610279791 351548049 /nfs/dbraw/zinc/54/80/49/351548049.db2.gz BKFBYGCQWJGSEB-RKDXNWHRSA-N 1 0 255.343 2.551 20 5 CFBDRO COC[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610604964 351585711 /nfs/dbraw/zinc/58/57/11/351585711.db2.gz HXRNITBLMMJAAI-GFCCVEGCSA-N 1 0 284.743 2.859 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000610664845 351590234 /nfs/dbraw/zinc/59/02/34/351590234.db2.gz AVWJCGBECLVGPE-DMDPSCGWSA-N 1 0 280.372 2.514 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC=CC1 ZINC000610832560 351613402 /nfs/dbraw/zinc/61/34/02/351613402.db2.gz LJPALJJSQMDCRH-NSHDSACASA-N 1 0 289.335 2.620 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCCC1 ZINC000610797329 351609455 /nfs/dbraw/zinc/60/94/55/351609455.db2.gz UONBVMLESRMJSN-ZDUSSCGKSA-N 1 0 277.368 2.650 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1 ZINC000610804186 351610307 /nfs/dbraw/zinc/61/03/07/351610307.db2.gz MUOUTOJVUPLODX-DZGCQCFKSA-N 1 0 291.395 2.600 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000610807995 351610545 /nfs/dbraw/zinc/61/05/45/351610545.db2.gz GWIQTMKAIJAOHD-GHMZBOCLSA-N 1 0 281.381 2.577 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000611272468 351662058 /nfs/dbraw/zinc/66/20/58/351662058.db2.gz VJSLWYFJKWAQNY-LBPRGKRZSA-N 1 0 264.325 2.514 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180465 351649429 /nfs/dbraw/zinc/64/94/29/351649429.db2.gz XXJYBUMKXULJLS-SNVBAGLBSA-N 1 0 256.252 2.682 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254401 351658269 /nfs/dbraw/zinc/65/82/69/351658269.db2.gz KUWWALYGMDIGNP-NSHDSACASA-N 1 0 294.351 2.842 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCOC2)C2CC2)c1 ZINC000610864866 351617400 /nfs/dbraw/zinc/61/74/00/351617400.db2.gz LQUYBUTXFFRJAI-CQSZACIVSA-N 1 0 290.363 2.986 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000610946416 351623525 /nfs/dbraw/zinc/62/35/25/351623525.db2.gz GQIDLRQCYRJABG-ZDUSSCGKSA-N 1 0 292.383 2.770 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000610987972 351628796 /nfs/dbraw/zinc/62/87/96/351628796.db2.gz KMTRUNXVZCQJIC-JTQLQIEISA-N 1 0 297.305 2.769 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000271445309 191140162 /nfs/dbraw/zinc/14/01/62/191140162.db2.gz YBPHWFIIWISYEU-TZMCWYRMSA-N 1 0 277.368 2.680 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337488 351669952 /nfs/dbraw/zinc/66/99/52/351669952.db2.gz SXESCBDQSCSLQL-HIFRSBDPSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000611337479 351670140 /nfs/dbraw/zinc/67/01/40/351670140.db2.gz PPCXQEIGRKHYCZ-AAEUAGOBSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000121995889 187009490 /nfs/dbraw/zinc/00/94/90/187009490.db2.gz GMXLUFPWXZPNNM-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000122269723 187023220 /nfs/dbraw/zinc/02/32/20/187023220.db2.gz VIFGBPLMEJEFOF-VHSXEESVSA-N 1 0 279.315 2.771 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122265000 187023354 /nfs/dbraw/zinc/02/33/54/187023354.db2.gz ZCRZMHGKWNNGSJ-GHMZBOCLSA-N 1 0 261.325 2.632 20 5 CFBDRO C[C@@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122991996 187064687 /nfs/dbraw/zinc/06/46/87/187064687.db2.gz LUPZLJAYIMEOPY-ZJUUUORDSA-N 1 0 279.315 2.771 20 5 CFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123655359 187103192 /nfs/dbraw/zinc/10/31/92/187103192.db2.gz PFVRYEKOFMSRIN-OCCSQVGLSA-N 1 0 278.352 2.720 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123898811 187114178 /nfs/dbraw/zinc/11/41/78/187114178.db2.gz BTLNOUZVBIQUIP-KGLIPLIRSA-N 1 0 266.341 2.652 20 5 CFBDRO COc1cc(CN2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000613381630 351948472 /nfs/dbraw/zinc/94/84/72/351948472.db2.gz LYTUQIBQHNJOIH-JOYOIKCWSA-N 1 0 280.299 2.727 20 5 CFBDRO COc1cc(CN2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000613381632 351948874 /nfs/dbraw/zinc/94/88/74/351948874.db2.gz LYTUQIBQHNJOIH-SKDRFNHKSA-N 1 0 280.299 2.727 20 5 CFBDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000271454699 191147199 /nfs/dbraw/zinc/14/71/99/191147199.db2.gz GODREJOMRZTNAA-GZMMTYOYSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C2CC2)C1 ZINC000614408604 352090941 /nfs/dbraw/zinc/09/09/41/352090941.db2.gz PZRFSLIRLOZELY-ABAIWWIYSA-N 1 0 276.336 2.767 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000616094649 352283966 /nfs/dbraw/zinc/28/39/66/352283966.db2.gz ODKBBLJBBACYOQ-SGMGOOAPSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])nc1 ZINC000616152072 352292079 /nfs/dbraw/zinc/29/20/79/352292079.db2.gz JWMIFFWAPAITEQ-UHFFFAOYSA-N 1 0 287.319 2.636 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561413 191213200 /nfs/dbraw/zinc/21/32/00/191213200.db2.gz PTBAXYRFTJRYKP-VXGBXAGGSA-N 1 0 291.351 2.796 20 5 CFBDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590478 191229632 /nfs/dbraw/zinc/22/96/32/191229632.db2.gz YGVORSXREIBSED-KCJUWKMLSA-N 1 0 292.257 2.559 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000135164985 187802352 /nfs/dbraw/zinc/80/23/52/187802352.db2.gz PJENTBRQYRIGIM-ZYHUDNBSSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000618566847 352810900 /nfs/dbraw/zinc/81/09/00/352810900.db2.gz HVWKJTCKGMZKSA-BNOWGMLFSA-N 1 0 292.383 2.911 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CC2(CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984886 352927087 /nfs/dbraw/zinc/92/70/87/352927087.db2.gz JTSDHEOIFKRLRF-CQSZACIVSA-N 1 0 290.363 2.679 20 5 CFBDRO C[C@]1(O)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000619432077 353022572 /nfs/dbraw/zinc/02/25/72/353022572.db2.gz NZTMTFFDGKOJHM-OUOZUETKSA-N 1 0 290.363 2.845 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152924437 188053575 /nfs/dbraw/zinc/05/35/75/188053575.db2.gz CIYPSWTXFKBNQJ-NEPJUHHUSA-N 1 0 266.341 2.979 20 5 CFBDRO CCOCC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152998599 188058672 /nfs/dbraw/zinc/05/86/72/188058672.db2.gz COZLKRIHNUXVRX-LLVKDONJSA-N 1 0 282.340 2.681 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3C[C@H]4CCC[C@@H]4C3)nc2c1 ZINC000153219243 188071940 /nfs/dbraw/zinc/07/19/40/188071940.db2.gz SCOONTCKQHJXGO-GHMZBOCLSA-N 1 0 287.319 2.968 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC(CO)CC1 ZINC000156254106 188251380 /nfs/dbraw/zinc/25/13/80/188251380.db2.gz OBPKAGCFUQZIDC-UHFFFAOYSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(C)(C)CO ZINC000295185785 199394311 /nfs/dbraw/zinc/39/43/11/199394311.db2.gz ITTVNLXMKVSTHM-LBPRGKRZSA-N 1 0 280.368 2.915 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166795366 188639809 /nfs/dbraw/zinc/63/98/09/188639809.db2.gz ZEKFAIZQRUAPQI-CHWSQXEVSA-N 1 0 280.368 2.962 20 5 CFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000271763824 191310888 /nfs/dbraw/zinc/31/08/88/191310888.db2.gz FFNMNAJENWJSKQ-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO Cc1cc(NC2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000173914113 188874144 /nfs/dbraw/zinc/87/41/44/188874144.db2.gz GXHRCTFRRKDQFZ-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO COc1cc(C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000203913757 540221480 /nfs/dbraw/zinc/22/14/80/540221480.db2.gz IKNWWIKWZBUDAZ-UHFFFAOYSA-N 1 0 250.298 2.589 20 5 CFBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1cnccn1 ZINC000273717206 192274709 /nfs/dbraw/zinc/27/47/09/192274709.db2.gz HNUIOAODZRBEBJ-GQCTYLIASA-N 1 0 298.346 2.573 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC3(C2)CCCCC3)c1 ZINC000273740379 192286391 /nfs/dbraw/zinc/28/63/91/192286391.db2.gz VJYQADYEKVQVSG-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO O=C(CC[NH2+]C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000569260667 290594390 /nfs/dbraw/zinc/59/43/90/290594390.db2.gz ZMBBYXKTVYCJNH-UHFFFAOYSA-N 1 0 291.351 2.846 20 5 CFBDRO COCCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000294572882 199091629 /nfs/dbraw/zinc/09/16/29/199091629.db2.gz BYSTZJFNTBPZLJ-LLVKDONJSA-N 1 0 293.367 2.644 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000294596465 199100974 /nfs/dbraw/zinc/10/09/74/199100974.db2.gz DAXOKCAJWLKOHX-YGRLFVJLSA-N 1 0 295.383 2.889 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294679781 199130626 /nfs/dbraw/zinc/13/06/26/199130626.db2.gz BNDRPIVGBOKZAH-KGLIPLIRSA-N 1 0 294.395 2.914 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294757596 199169232 /nfs/dbraw/zinc/16/92/32/199169232.db2.gz MIRVJRRYPVYXBP-CMPLNLGQSA-N 1 0 293.367 2.785 20 5 CFBDRO C[C@@H](CCCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000294787473 199183074 /nfs/dbraw/zinc/18/30/74/199183074.db2.gz LQMXZNDPKKDYIF-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO Cc1nc(NCCC[NH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000297506108 200213406 /nfs/dbraw/zinc/21/34/06/200213406.db2.gz NKGMXRLHMZBCRI-UHFFFAOYSA-N 1 0 295.387 2.614 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177909922 189078592 /nfs/dbraw/zinc/07/85/92/189078592.db2.gz TUKLRUZXSIWZEA-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178343083 189108591 /nfs/dbraw/zinc/10/85/91/189108591.db2.gz HOBOVGFNAHNBFA-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000178427311 189115341 /nfs/dbraw/zinc/11/53/41/189115341.db2.gz ROIGMBOXIRQUHQ-OLZOCXBDSA-N 1 0 278.352 2.980 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178670637 189136335 /nfs/dbraw/zinc/13/63/35/189136335.db2.gz ILGFCIYJVRNEOL-ZYHUDNBSSA-N 1 0 266.341 2.836 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299214381 200639166 /nfs/dbraw/zinc/63/91/66/200639166.db2.gz GCHBKVFPNWCQGP-SDDRHHMPSA-N 1 0 293.367 2.946 20 5 CFBDRO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423245282 238303712 /nfs/dbraw/zinc/30/37/12/238303712.db2.gz OLQWOYHBAFKBKV-BLLLJJGKSA-N 1 0 285.347 2.945 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423260224 238318222 /nfs/dbraw/zinc/31/82/22/238318222.db2.gz GZHRGHNTUMMYEX-OCCSQVGLSA-N 1 0 279.384 2.927 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000183040950 189343832 /nfs/dbraw/zinc/34/38/32/189343832.db2.gz NYWFCKTWAMIJPX-PWSUYJOCSA-N 1 0 293.367 2.866 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCOC1 ZINC000182828173 189336265 /nfs/dbraw/zinc/33/62/65/189336265.db2.gz URHFJBCAUGYNAN-STQMWFEESA-N 1 0 278.352 2.933 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000182831807 189336900 /nfs/dbraw/zinc/33/69/00/189336900.db2.gz LJXYZMCFOFOKKZ-AWEZNQCLSA-N 1 0 288.351 2.612 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000183255335 189351895 /nfs/dbraw/zinc/35/18/95/189351895.db2.gz HSXUZXLQTPOPQS-CYBMUJFWSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000183455055 189359125 /nfs/dbraw/zinc/35/91/25/189359125.db2.gz DDOIIZQDEAULTA-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO CC1(CO)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000184071271 189375451 /nfs/dbraw/zinc/37/54/51/189375451.db2.gz AMIQXIKVDLVLOU-GQCTYLIASA-N 1 0 290.363 2.702 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184288171 189381991 /nfs/dbraw/zinc/38/19/91/189381991.db2.gz ODHHHHYSVXAYFI-GIQGCJHYSA-N 1 0 298.408 2.793 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184288139 189382096 /nfs/dbraw/zinc/38/20/96/189382096.db2.gz ODHHHHYSVXAYFI-CJAGKMTESA-N 1 0 298.408 2.793 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000184538463 189388901 /nfs/dbraw/zinc/38/89/01/189388901.db2.gz ROCLPJKSGZSOIX-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO CS[C@H]1CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000425343069 239007252 /nfs/dbraw/zinc/00/72/52/239007252.db2.gz IBGFOHRQEPSZAT-AAEUAGOBSA-N 1 0 266.366 2.621 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000302013163 201298237 /nfs/dbraw/zinc/29/82/37/201298237.db2.gz ZVCWSGGZCOQLKB-SECBINFHSA-N 1 0 255.343 2.553 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000302029017 201306279 /nfs/dbraw/zinc/30/62/79/201306279.db2.gz RJAUYUASRMJEHN-NSHDSACASA-N 1 0 283.397 2.824 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186496822 189440952 /nfs/dbraw/zinc/44/09/52/189440952.db2.gz TXMRDOQMDVPFLE-CSDYLXSXSA-N 1 0 292.379 2.833 20 5 CFBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186527393 189442406 /nfs/dbraw/zinc/44/24/06/189442406.db2.gz CGUFYVHMYYPRMX-LBPRGKRZSA-N 1 0 290.319 2.715 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000269696640 292841016 /nfs/dbraw/zinc/84/10/16/292841016.db2.gz KJUBBIXTWKQZFX-GXFFZTMASA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)C1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000433130849 240106154 /nfs/dbraw/zinc/10/61/54/240106154.db2.gz BCRZKBKBOIIXTC-UHFFFAOYSA-N 1 0 294.399 2.975 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000433187102 240119281 /nfs/dbraw/zinc/11/92/81/240119281.db2.gz MXJXQQCNSPDYNG-GFCCVEGCSA-N 1 0 280.368 2.969 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H](C)O ZINC000433202241 240125899 /nfs/dbraw/zinc/12/58/99/240125899.db2.gz ZQVKEKWFVFWDRL-SRXBQZRASA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC[C@H]1CCOC1 ZINC000437786107 240593196 /nfs/dbraw/zinc/59/31/96/240593196.db2.gz BQUNGAPKGFUWQG-NSHDSACASA-N 1 0 298.770 2.807 20 5 CFBDRO COC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000275839844 193143928 /nfs/dbraw/zinc/14/39/28/193143928.db2.gz JFLBAWABPLWOQL-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000443514893 241070359 /nfs/dbraw/zinc/07/03/59/241070359.db2.gz YZOKQFTYNVYELG-NSHDSACASA-N 1 0 298.412 2.540 20 5 CFBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444608122 241155502 /nfs/dbraw/zinc/15/55/02/241155502.db2.gz KIQPTVYGUXXLMJ-UHFFFAOYSA-N 1 0 274.324 2.846 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657508 241160099 /nfs/dbraw/zinc/16/00/99/241160099.db2.gz KVRYVMPJXYWDCC-SECBINFHSA-N 1 0 262.313 2.701 20 5 CFBDRO C[C@@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000444653389 241161293 /nfs/dbraw/zinc/16/12/93/241161293.db2.gz WFOXILYFYKYDIN-NXEZZACHSA-N 1 0 274.324 2.559 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC1CC1 ZINC000449143579 241720689 /nfs/dbraw/zinc/72/06/89/241720689.db2.gz ICWJEDLATGTLDM-GFCCVEGCSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000449149172 241725710 /nfs/dbraw/zinc/72/57/10/241725710.db2.gz MJSRTQYOVPKENI-IUODEOHRSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)F ZINC000449343076 241861223 /nfs/dbraw/zinc/86/12/23/241861223.db2.gz HMWMVTAGDDHZEB-WDEREUQCSA-N 1 0 254.305 2.864 20 5 CFBDRO CCC[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449375660 241883748 /nfs/dbraw/zinc/88/37/48/241883748.db2.gz JEAHJFOQLMAWJV-TZMCWYRMSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000449322715 241845459 /nfs/dbraw/zinc/84/54/59/241845459.db2.gz PZIDBJJICIPVCP-GZBFAFLISA-N 1 0 292.379 2.788 20 5 CFBDRO Cc1cc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449322330 241846554 /nfs/dbraw/zinc/84/65/54/241846554.db2.gz WZMJZLFFDNULDW-NSHDSACASA-N 1 0 289.335 2.655 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000449632833 242081714 /nfs/dbraw/zinc/08/17/14/242081714.db2.gz NXNVSRQSNDTNLX-CABCVRRESA-N 1 0 290.363 2.984 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449549744 242018143 /nfs/dbraw/zinc/01/81/43/242018143.db2.gz AFPKPKGCHQDKAY-IPYPFGDCSA-N 1 0 290.363 2.578 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449566376 242036637 /nfs/dbraw/zinc/03/66/37/242036637.db2.gz OECXHDYKAFRAHL-LBPRGKRZSA-N 1 0 283.397 2.572 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449761317 242143320 /nfs/dbraw/zinc/14/33/20/242143320.db2.gz WKTVJOOVIOSAKS-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)[C@@H](O)CC ZINC000449637285 242086824 /nfs/dbraw/zinc/08/68/24/242086824.db2.gz GGHYHLRYOYRMHI-KBPBESRZSA-N 1 0 296.367 2.633 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000449774210 242151289 /nfs/dbraw/zinc/15/12/89/242151289.db2.gz KAFWWFVKBFGRGW-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000330607082 203030482 /nfs/dbraw/zinc/03/04/82/203030482.db2.gz JHFNVFPYZQZIJV-CYBMUJFWSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330690218 203122416 /nfs/dbraw/zinc/12/24/16/203122416.db2.gz AMXPXIAZCNYRDG-OLZOCXBDSA-N 1 0 278.352 2.842 20 5 CFBDRO C[N@H+](CC[C@@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000330804254 203256715 /nfs/dbraw/zinc/25/67/15/203256715.db2.gz BMTFYNAXDRQEFT-AWEZNQCLSA-N 1 0 278.352 2.986 20 5 CFBDRO C[N@H+]1CC=C(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276547013 193375324 /nfs/dbraw/zinc/37/53/24/193375324.db2.gz DXFJZPUMICKTLG-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO CCOc1cc(C[N@H+](CC)C2CC2)ccc1[N+](=O)[O-] ZINC000276952886 193512256 /nfs/dbraw/zinc/51/22/56/193512256.db2.gz UPHVATGFKZLYJO-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331309983 203704800 /nfs/dbraw/zinc/70/48/00/203704800.db2.gz BQYRRCIJXAAKHQ-RYUDHWBXSA-N 1 0 291.351 2.796 20 5 CFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268340151 284235048 /nfs/dbraw/zinc/23/50/48/284235048.db2.gz KXVNYOAEXWTQBC-ABAIWWIYSA-N 1 0 292.335 2.541 20 5 CFBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000459698694 245276322 /nfs/dbraw/zinc/27/63/22/245276322.db2.gz KZEBPWOHUBQOIZ-AWEZNQCLSA-N 1 0 298.342 2.860 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331702047 204090111 /nfs/dbraw/zinc/09/01/11/204090111.db2.gz ZZVGTIHBBCNLHC-GFCCVEGCSA-N 1 0 280.372 2.586 20 5 CFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459749281 245302156 /nfs/dbraw/zinc/30/21/56/245302156.db2.gz KJSFVYWQCIZBRH-PZBABLGHSA-N 1 0 286.335 2.692 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000459799713 245335063 /nfs/dbraw/zinc/33/50/63/245335063.db2.gz YZJXSKHFWKQDIU-CABCVRRESA-N 1 0 290.363 2.950 20 5 CFBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000020000586 372219429 /nfs/dbraw/zinc/21/94/29/372219429.db2.gz BOACKYDOURAIFH-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1cccc([N+](=O)[O-])c1 ZINC000020047887 372222434 /nfs/dbraw/zinc/22/24/34/372222434.db2.gz FBGQQIWDLQPWMF-AWEZNQCLSA-N 1 0 291.395 2.949 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cccs2)c1 ZINC000020052956 372223739 /nfs/dbraw/zinc/22/37/39/372223739.db2.gz MFGNPLGOIKIRFR-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000023991437 372269494 /nfs/dbraw/zinc/26/94/94/372269494.db2.gz PUMFEBRMURYHCN-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO C[NH+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000027790710 372348624 /nfs/dbraw/zinc/34/86/24/372348624.db2.gz WIDPDWIBUNIEBC-UHFFFAOYSA-N 1 0 277.246 2.587 20 5 CFBDRO Cc1ccc(CNC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000034996610 372527737 /nfs/dbraw/zinc/52/77/37/372527737.db2.gz UESMXSXZFDRBED-UHFFFAOYSA-N 1 0 291.395 2.866 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000036996303 372625266 /nfs/dbraw/zinc/62/52/66/372625266.db2.gz RLGYINIOSYPFMM-VBNZEHGJSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+]1CCCCC1 ZINC000037999279 372759077 /nfs/dbraw/zinc/75/90/77/372759077.db2.gz OZFUFPBDGAUAJZ-GFCCVEGCSA-N 1 0 278.356 2.524 20 5 CFBDRO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000038011201 372763234 /nfs/dbraw/zinc/76/32/34/372763234.db2.gz NHMKLASNCUXTSN-AWEZNQCLSA-N 1 0 274.324 2.867 20 5 CFBDRO C[C@H]([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000042314689 372907122 /nfs/dbraw/zinc/90/71/22/372907122.db2.gz IBWPNARKVNPMRE-ZDUSSCGKSA-N 1 0 277.368 2.731 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000045653779 373025175 /nfs/dbraw/zinc/02/51/75/373025175.db2.gz NKBSQAWEJFXKCP-LBPRGKRZSA-N 1 0 263.341 2.798 20 5 CFBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000046064799 373042164 /nfs/dbraw/zinc/04/21/64/373042164.db2.gz WIERDVWCXUJGDE-UHFFFAOYSA-N 1 0 294.351 2.939 20 5 CFBDRO CCCCOCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000048511805 373193721 /nfs/dbraw/zinc/19/37/21/373193721.db2.gz TYFVTENFWCCHDP-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000050269254 373368536 /nfs/dbraw/zinc/36/85/36/373368536.db2.gz KBACIVAYVZYEME-FZMZJTMJSA-N 1 0 262.309 2.938 20 5 CFBDRO Cc1ncsc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050284936 373368559 /nfs/dbraw/zinc/36/85/59/373368559.db2.gz OVWBMZZPQNJQOH-UHFFFAOYSA-N 1 0 291.376 2.735 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994675 373426903 /nfs/dbraw/zinc/42/69/03/373426903.db2.gz YYDQXUIGHIMDSN-BPNCWPANSA-N 1 0 264.325 2.549 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000051555327 373399744 /nfs/dbraw/zinc/39/97/44/373399744.db2.gz IFRLIPDKRODLRF-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052098613 373435218 /nfs/dbraw/zinc/43/52/18/373435218.db2.gz UEQANPHNLZVTOG-MRXNPFEDSA-N 1 0 286.331 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000277687470 193730713 /nfs/dbraw/zinc/73/07/13/193730713.db2.gz GCXYBJZIPFUZSQ-UHFFFAOYSA-N 1 0 275.352 2.881 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000062351275 373758434 /nfs/dbraw/zinc/75/84/34/373758434.db2.gz COCPRXXFTQSDMN-KRWDZBQOSA-N 1 0 298.342 2.687 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000068451168 374030239 /nfs/dbraw/zinc/03/02/39/374030239.db2.gz UZMARSLJOCOHTO-JTQLQIEISA-N 1 0 290.323 2.875 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000068451042 374030596 /nfs/dbraw/zinc/03/05/96/374030596.db2.gz KCIOLLZEUGQOGJ-NSHDSACASA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571461724 383697667 /nfs/dbraw/zinc/69/76/67/383697667.db2.gz MNDIHZPIZBPNNR-YWPYICTPSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000071207209 374214300 /nfs/dbraw/zinc/21/43/00/374214300.db2.gz JOIDKPMXAIGPIW-FZMZJTMJSA-N 1 0 264.325 2.752 20 5 CFBDRO Cc1ccnc(NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000070496421 374187190 /nfs/dbraw/zinc/18/71/90/374187190.db2.gz XJLNDOILUIVBKX-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000072590757 374268783 /nfs/dbraw/zinc/26/87/83/374268783.db2.gz KGMYZQVBYRBOKI-VIFPVBQESA-N 1 0 299.758 2.917 20 5 CFBDRO CC(C)C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000072978673 374309659 /nfs/dbraw/zinc/30/96/59/374309659.db2.gz BGDYHJDIYKJLBT-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000073756634 374380084 /nfs/dbraw/zinc/38/00/84/374380084.db2.gz NHOZXAQYKDXVTE-CYBMUJFWSA-N 1 0 280.372 2.768 20 5 CFBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000075842018 374508693 /nfs/dbraw/zinc/50/86/93/374508693.db2.gz GHUFZJGZLXFIJH-UHFFFAOYSA-N 1 0 288.307 2.629 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000076059288 374526579 /nfs/dbraw/zinc/52/65/79/374526579.db2.gz GJLXNRKBXUJGQV-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076052673 374525052 /nfs/dbraw/zinc/52/50/52/374525052.db2.gz FFXBJQIAOVNNKU-OAHLLOKOSA-N 1 0 277.368 2.511 20 5 CFBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000090529881 375019398 /nfs/dbraw/zinc/01/93/98/375019398.db2.gz RNJKZTJRXFOWBK-ZYHUDNBSSA-N 1 0 288.351 2.908 20 5 CFBDRO CCc1nn(C)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092371497 375104187 /nfs/dbraw/zinc/10/41/87/375104187.db2.gz YGDGGIIJVINTFP-LLVKDONJSA-N 1 0 288.351 2.742 20 5 CFBDRO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672423 375136798 /nfs/dbraw/zinc/13/67/98/375136798.db2.gz FQADMQIJJVVPTD-DGCLKSJQSA-N 1 0 275.352 2.940 20 5 CFBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000092966368 375169470 /nfs/dbraw/zinc/16/94/70/375169470.db2.gz FGPXJZGILDBRMW-UHFFFAOYSA-N 1 0 286.759 2.841 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093770198 375311122 /nfs/dbraw/zinc/31/11/22/375311122.db2.gz IZCYTAVKVGLJLG-OAHLLOKOSA-N 1 0 291.395 2.677 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000093820194 375317148 /nfs/dbraw/zinc/31/71/48/375317148.db2.gz UQBCBGBIJVHTTQ-OAHLLOKOSA-N 1 0 276.336 2.516 20 5 CFBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093838875 375319332 /nfs/dbraw/zinc/31/93/32/375319332.db2.gz DYNSOIHVFNXHBX-AWEZNQCLSA-N 1 0 278.352 2.762 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094942056 375392993 /nfs/dbraw/zinc/39/29/93/375392993.db2.gz FHJOBYWWQUARHH-VXGBXAGGSA-N 1 0 266.341 2.715 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCSC1 ZINC000094774274 375378227 /nfs/dbraw/zinc/37/82/27/375378227.db2.gz SEVXEUQEWXITQS-JTQLQIEISA-N 1 0 270.329 2.671 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000107830660 375810396 /nfs/dbraw/zinc/81/03/96/375810396.db2.gz DYTWDWGQAFJCSD-UONOGXRCSA-N 1 0 275.352 2.942 20 5 CFBDRO CC[NH+]1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000112208966 375891218 /nfs/dbraw/zinc/89/12/18/375891218.db2.gz APNWQCZQEIZNCU-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO CCCC[N@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000112333601 375905040 /nfs/dbraw/zinc/90/50/40/375905040.db2.gz HCAOOHHGDWNILW-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO Cc1ccnc(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000115516063 376134393 /nfs/dbraw/zinc/13/43/93/376134393.db2.gz TXFOZFJPYNIDJO-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426224599 296240148 /nfs/dbraw/zinc/24/01/48/296240148.db2.gz BKABFZLBXUEZJC-NILFDRSVSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1c(CN(C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118842802 376319494 /nfs/dbraw/zinc/31/94/94/376319494.db2.gz APRBRPUQRMJUGH-AWEZNQCLSA-N 1 0 291.395 2.677 20 5 CFBDRO CC(C)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119264143 376381479 /nfs/dbraw/zinc/38/14/79/376381479.db2.gz FTJSMEQEIRITSG-ZDUSSCGKSA-N 1 0 280.372 2.549 20 5 CFBDRO O=[N+]([O-])c1cccnc1SCC[NH+]1CCCCC1 ZINC000120474747 376622625 /nfs/dbraw/zinc/62/26/25/376622625.db2.gz FLXVPXMNFMOTAT-UHFFFAOYSA-N 1 0 267.354 2.568 20 5 CFBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCC1CCOCC1 ZINC000120750628 376683226 /nfs/dbraw/zinc/68/32/26/376683226.db2.gz XSDOSMPTZKXBIE-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000451819791 383716461 /nfs/dbraw/zinc/71/64/61/383716461.db2.gz BKYYERPRSZYPKA-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123606855 376961578 /nfs/dbraw/zinc/96/15/78/376961578.db2.gz ZNXXPJCGUUGXDV-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000128457209 377338930 /nfs/dbraw/zinc/33/89/30/377338930.db2.gz UUOOXOKALKKGOC-VHSXEESVSA-N 1 0 284.743 2.763 20 5 CFBDRO CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128493149 377341911 /nfs/dbraw/zinc/34/19/11/377341911.db2.gz PROVUIDREKXPSV-SWLSCSKDSA-N 1 0 279.384 2.961 20 5 CFBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000129784332 377470881 /nfs/dbraw/zinc/47/08/81/377470881.db2.gz JIJCABDVVFAQIC-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000130313718 377537145 /nfs/dbraw/zinc/53/71/45/377537145.db2.gz WGOITNOONXLING-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000130312811 377537265 /nfs/dbraw/zinc/53/72/65/377537265.db2.gz FOHATEJXKCACTF-KOLCDFICSA-N 1 0 284.743 2.763 20 5 CFBDRO COC[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000265844270 190212585 /nfs/dbraw/zinc/21/25/85/190212585.db2.gz XLZIDBJYKPTMBQ-VXGBXAGGSA-N 1 0 264.325 2.624 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000132789414 377877120 /nfs/dbraw/zinc/87/71/20/377877120.db2.gz VSDGBDUMWFWSIH-DGCLKSJQSA-N 1 0 266.341 2.715 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000133760488 377955684 /nfs/dbraw/zinc/95/56/84/377955684.db2.gz VXWKARQETUZLMN-FZMZJTMJSA-N 1 0 293.342 2.654 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCSC(F)(F)F ZINC000134227021 377995295 /nfs/dbraw/zinc/99/52/95/377995295.db2.gz VVLUCXLMGBSMJU-UHFFFAOYSA-N 1 0 280.271 2.937 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000135141031 378090084 /nfs/dbraw/zinc/09/00/84/378090084.db2.gz BEMDRPHFZRJINM-QWRGUYRKSA-N 1 0 293.367 2.549 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000135164283 378094190 /nfs/dbraw/zinc/09/41/90/378094190.db2.gz UCNLILSLQJWJBY-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135215372 378099102 /nfs/dbraw/zinc/09/91/02/378099102.db2.gz MHBAPOCVMAHZTD-KOLCDFICSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000136803903 378210318 /nfs/dbraw/zinc/21/03/18/378210318.db2.gz YKLQMUKDJYENDI-BLLLJJGKSA-N 1 0 286.331 2.979 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151131701 378299493 /nfs/dbraw/zinc/29/94/93/378299493.db2.gz UAJUJUSFPDRRTM-UONOGXRCSA-N 1 0 291.395 2.977 20 5 CFBDRO CCSCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153277148 378484830 /nfs/dbraw/zinc/48/48/30/378484830.db2.gz WWXUHESWFYZYOK-UHFFFAOYSA-N 1 0 266.366 2.706 20 5 CFBDRO CC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000153761787 378509366 /nfs/dbraw/zinc/50/93/66/378509366.db2.gz MIYCNEFQDZQFIJ-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331138791 378639080 /nfs/dbraw/zinc/63/90/80/378639080.db2.gz DONIUGSWDGPOIT-KBPBESRZSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000331007381 378613271 /nfs/dbraw/zinc/61/32/71/378613271.db2.gz MAQQNXBIAZSNNI-CABCVRRESA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000331007382 378613367 /nfs/dbraw/zinc/61/33/67/378613367.db2.gz MAQQNXBIAZSNNI-GJZGRUSLSA-N 1 0 278.352 2.544 20 5 CFBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331042081 378620380 /nfs/dbraw/zinc/62/03/80/378620380.db2.gz CZHXCSMEZHFFII-RYUDHWBXSA-N 1 0 280.372 2.633 20 5 CFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000331299095 378665005 /nfs/dbraw/zinc/66/50/05/378665005.db2.gz VFXHWLHZKMJBBF-WWGRRREGSA-N 1 0 292.379 2.619 20 5 CFBDRO Cc1c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000159238586 378696015 /nfs/dbraw/zinc/69/60/15/378696015.db2.gz NKPSWBHZLNIQLP-BXUZGUMPSA-N 1 0 278.352 2.639 20 5 CFBDRO Cc1c(C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331191857 378647586 /nfs/dbraw/zinc/64/75/86/378647586.db2.gz QAKNNOMLZRXOQL-SWLSCSKDSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000160643256 378788282 /nfs/dbraw/zinc/78/82/82/378788282.db2.gz YPGINAAESFJXGU-CYBMUJFWSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737168 378796911 /nfs/dbraw/zinc/79/69/11/378796911.db2.gz ZGCLNZRUTOJIHN-HZPDHXFCSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1nc(NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000161547897 378856452 /nfs/dbraw/zinc/85/64/52/378856452.db2.gz MHLFHSFNMSRFPG-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000163097150 378954397 /nfs/dbraw/zinc/95/43/97/378954397.db2.gz FKGZYPCWYBRQQP-NSHDSACASA-N 1 0 288.351 2.796 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163572019 378981234 /nfs/dbraw/zinc/98/12/34/378981234.db2.gz COJHFHUZNFQGRB-CABCVRRESA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H](O)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000278614967 194068776 /nfs/dbraw/zinc/06/87/76/194068776.db2.gz BUMFYQXQCRYCFQ-WFASDCNBSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000278749409 194137431 /nfs/dbraw/zinc/13/74/31/194137431.db2.gz KCMUORIPIXTMAD-JQWIXIFHSA-N 1 0 266.341 2.715 20 5 CFBDRO COc1cc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)cc1F ZINC001168768298 781968134 /nfs/dbraw/zinc/96/81/34/781968134.db2.gz SWFGVTDUOIYYHQ-UHFFFAOYSA-N 1 0 299.346 2.742 20 5 CFBDRO CCOc1cc(C[N@H+](C)CCCCCO)ccc1[N+](=O)[O-] ZINC000278916486 194210138 /nfs/dbraw/zinc/21/01/38/194210138.db2.gz RAXTUTJTIBKTDZ-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC000172963475 379676813 /nfs/dbraw/zinc/67/68/13/379676813.db2.gz WVZRKGYMWVXMRX-TXEJJXNPSA-N 1 0 276.336 2.691 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173410262 379737091 /nfs/dbraw/zinc/73/70/91/379737091.db2.gz RMIAAHLDSJYDAB-MJVIPROJSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176231774 380199944 /nfs/dbraw/zinc/19/99/44/380199944.db2.gz NVMANCPEWMNFGP-VXGBXAGGSA-N 1 0 280.372 2.690 20 5 CFBDRO CCC[C@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176286683 380209680 /nfs/dbraw/zinc/20/96/80/380209680.db2.gz SBSJKLZXNRBQSD-CQSZACIVSA-N 1 0 280.372 2.694 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177866781 380387755 /nfs/dbraw/zinc/38/77/55/380387755.db2.gz FFNRGVHFFYJUJV-VXGBXAGGSA-N 1 0 294.351 2.713 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177877642 380388907 /nfs/dbraw/zinc/38/89/07/380388907.db2.gz LENCPTMMABEBQJ-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000336796557 380645154 /nfs/dbraw/zinc/64/51/54/380645154.db2.gz UDIBVJZWYZTYFA-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000336806268 380664695 /nfs/dbraw/zinc/66/46/95/380664695.db2.gz PDCAKQSROYSNDL-MJVIPROJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1CCSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000279167547 194313410 /nfs/dbraw/zinc/31/34/10/194313410.db2.gz BROOMBGXCDPRJM-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000279165745 194313488 /nfs/dbraw/zinc/31/34/88/194313488.db2.gz UJCLDQNRQUSSEC-NEPJUHHUSA-N 1 0 296.367 2.805 20 5 CFBDRO CCOCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000181489706 380806662 /nfs/dbraw/zinc/80/66/62/380806662.db2.gz DNBNSVNDIJQOBE-SOFGYWHQSA-N 1 0 264.325 2.576 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295453323 380862911 /nfs/dbraw/zinc/86/29/11/380862911.db2.gz NWESUEJSOLNIOL-NSHDSACASA-N 1 0 295.387 2.616 20 5 CFBDRO Cc1ccc(CN2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000347010036 380874349 /nfs/dbraw/zinc/87/43/49/380874349.db2.gz SZPIEBIKQYEQBL-JSGCOSHPSA-N 1 0 277.368 2.605 20 5 CFBDRO COc1ccc(C[N@@H+](C[C@@H](C)OC)C(C)C)cc1[N+](=O)[O-] ZINC000353799879 380860308 /nfs/dbraw/zinc/86/03/08/380860308.db2.gz XKJFLZYTYPNEBP-GFCCVEGCSA-N 1 0 296.367 2.849 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@H]2CCOC2)c(F)c1 ZINC000402295599 380881849 /nfs/dbraw/zinc/88/18/49/380881849.db2.gz OBUXNGVCNPNBQH-NSHDSACASA-N 1 0 282.315 2.640 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)C1CC1)CCC2 ZINC000353862757 380911653 /nfs/dbraw/zinc/91/16/53/380911653.db2.gz TVWOFTVPYXQBSN-CJNGLKHVSA-N 1 0 290.363 2.580 20 5 CFBDRO C[C@@]1(F)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295521446 380913045 /nfs/dbraw/zinc/91/30/45/380913045.db2.gz URJQXUAYSDWPCQ-CQSZACIVSA-N 1 0 266.316 2.961 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000368269230 380975808 /nfs/dbraw/zinc/97/58/08/380975808.db2.gz GXRIRGXOXQHAHV-CQSZACIVSA-N 1 0 292.383 2.884 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000368396024 381010271 /nfs/dbraw/zinc/01/02/71/381010271.db2.gz YHSCLXVBGZAUAG-LLVKDONJSA-N 1 0 294.326 2.974 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182356322 381074493 /nfs/dbraw/zinc/07/44/93/381074493.db2.gz FCWCWFCEQPZLNK-NSHDSACASA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@@](C)([C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411946725 381065235 /nfs/dbraw/zinc/06/52/35/381065235.db2.gz LLGMQRZEDLNYLO-LRDDRELGSA-N 1 0 292.379 2.931 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411943004 381066695 /nfs/dbraw/zinc/06/66/95/381066695.db2.gz MKZKDDTZOUAHFL-IAGOWNOFSA-N 1 0 298.342 2.903 20 5 CFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000341489048 381044733 /nfs/dbraw/zinc/04/47/33/381044733.db2.gz QJIMRYUADKWQBV-WDEREUQCSA-N 1 0 294.351 2.835 20 5 CFBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000411886775 381045017 /nfs/dbraw/zinc/04/50/17/381045017.db2.gz BCCUGDNNHZJEMP-SJORKVTESA-N 1 0 298.342 2.997 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000347356065 381094166 /nfs/dbraw/zinc/09/41/66/381094166.db2.gz KQEYYDYCBQALNJ-OVHOFWQVSA-N 1 0 290.363 2.845 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000347384762 381113175 /nfs/dbraw/zinc/11/31/75/381113175.db2.gz XVNWMWGRAZRZMC-JTCCWOMRSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)OCCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000354225220 381150682 /nfs/dbraw/zinc/15/06/82/381150682.db2.gz QVFUSIVAZBQTSU-UHFFFAOYSA-N 1 0 296.367 2.721 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000289803990 381166356 /nfs/dbraw/zinc/16/63/56/381166356.db2.gz MMCVCAAQJOFQPP-RCQQVGEISA-N 1 0 291.395 2.926 20 5 CFBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000347616372 381257467 /nfs/dbraw/zinc/25/74/67/381257467.db2.gz LSZODEWKAJQYEB-OLZOCXBDSA-N 1 0 294.399 2.938 20 5 CFBDRO CC[NH+]1CCC(N(C)c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359087803 381258802 /nfs/dbraw/zinc/25/88/02/381258802.db2.gz YLRMCBFQPGRFGF-UHFFFAOYSA-N 1 0 292.383 2.527 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000359102899 381267185 /nfs/dbraw/zinc/26/71/85/381267185.db2.gz IGCDYFCIEABAIP-CYBMUJFWSA-N 1 0 292.383 2.893 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)cs1 ZINC000342235910 381228608 /nfs/dbraw/zinc/22/86/08/381228608.db2.gz AMUPBGIYQRWNJL-QWRGUYRKSA-N 1 0 284.381 2.545 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@H](CO)C1 ZINC000342235879 381228873 /nfs/dbraw/zinc/22/88/73/381228873.db2.gz CBBMCAWVXVNXNM-KGLIPLIRSA-N 1 0 292.379 2.792 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289983067 381246078 /nfs/dbraw/zinc/24/60/78/381246078.db2.gz ZUHLUTNPJIRGMX-BDAKNGLRSA-N 1 0 272.732 2.761 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000183584901 381289135 /nfs/dbraw/zinc/28/91/35/381289135.db2.gz BMOIXDHGPRKANY-CQSZACIVSA-N 1 0 264.325 2.562 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000347687969 381299104 /nfs/dbraw/zinc/29/91/04/381299104.db2.gz RDBSCHSMKDWICO-HNNXBMFYSA-N 1 0 290.363 2.986 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342314702 381273901 /nfs/dbraw/zinc/27/39/01/381273901.db2.gz YMYXFKMMFXIOCV-NWDGAFQWSA-N 1 0 282.315 2.974 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000359132824 381284711 /nfs/dbraw/zinc/28/47/11/381284711.db2.gz NWMZWNZXBVPDOK-MRVPVSSYSA-N 1 0 292.257 2.891 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342419737 381323278 /nfs/dbraw/zinc/32/32/78/381323278.db2.gz MQHCZLJVRSWIGX-GFCCVEGCSA-N 1 0 297.374 2.944 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184230281 381387938 /nfs/dbraw/zinc/38/79/38/381387938.db2.gz DCXFHYSTMITCLV-NXEZZACHSA-N 1 0 282.315 2.973 20 5 CFBDRO CC[NH+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184232555 381388268 /nfs/dbraw/zinc/38/82/68/381388268.db2.gz VQBXATPMZZBDJA-UHFFFAOYSA-N 1 0 256.277 2.584 20 5 CFBDRO CC[NH+](CC)CCOCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000347878468 381397436 /nfs/dbraw/zinc/39/74/36/381397436.db2.gz MOGFKHGKAXWGAL-UHFFFAOYSA-N 1 0 299.346 2.504 20 5 CFBDRO CCCN(CCC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000290416295 381420984 /nfs/dbraw/zinc/42/09/84/381420984.db2.gz KJOWQTKNASEELA-UHFFFAOYSA-N 1 0 279.384 2.759 20 5 CFBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1F ZINC000342588089 381417697 /nfs/dbraw/zinc/41/76/97/381417697.db2.gz CERKLTAXTNOVSK-CYBMUJFWSA-N 1 0 282.315 2.735 20 5 CFBDRO C[C@@H](CCC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000342696883 381483844 /nfs/dbraw/zinc/48/38/44/381483844.db2.gz DPOHENOLCCZZCE-NSHDSACASA-N 1 0 268.361 2.596 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000290510305 381458491 /nfs/dbraw/zinc/45/84/91/381458491.db2.gz FCTVUXMCMJADEY-GFCCVEGCSA-N 1 0 295.383 2.883 20 5 CFBDRO COC1(C)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000354798847 381459372 /nfs/dbraw/zinc/45/93/72/381459372.db2.gz UYUCSTIXHXZXIO-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348328065 381510596 /nfs/dbraw/zinc/51/05/96/381510596.db2.gz GCTVPMBQQCQNPY-WHGOUJPWSA-N 1 0 256.252 2.899 20 5 CFBDRO CCCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000184876450 381491009 /nfs/dbraw/zinc/49/10/09/381491009.db2.gz PUHGARUWHYCUSH-CYBMUJFWSA-N 1 0 280.372 2.740 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000296654787 381492898 /nfs/dbraw/zinc/49/28/98/381492898.db2.gz ZFQDTGIJSTXTDS-JFUSQASVSA-N 1 0 288.294 2.650 20 5 CFBDRO COc1cccc(NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000185150897 381547657 /nfs/dbraw/zinc/54/76/57/381547657.db2.gz WOYMNUPDZIKRHS-LBPRGKRZSA-N 1 0 295.383 2.992 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000348356238 381527561 /nfs/dbraw/zinc/52/75/61/381527561.db2.gz XJLSEDOSZXLYAS-WCQYABFASA-N 1 0 292.383 2.607 20 5 CFBDRO O=[N+]([O-])c1ccc(CSCC[N@@H+]2CCCOCC2)cc1 ZINC000413005409 381533814 /nfs/dbraw/zinc/53/38/14/381533814.db2.gz YXTCXRIIFSRJJY-UHFFFAOYSA-N 1 0 296.392 2.550 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000371332754 381593431 /nfs/dbraw/zinc/59/34/31/381593431.db2.gz RKLQAIKHWKZKHC-LSDHHAIUSA-N 1 0 290.363 2.762 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355112138 381619324 /nfs/dbraw/zinc/61/93/24/381619324.db2.gz NDWHYVUTBOZSFM-KBPBESRZSA-N 1 0 276.336 2.596 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000342964413 381637751 /nfs/dbraw/zinc/63/77/51/381637751.db2.gz XKHWAIQGQNOIRE-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO COc1ccc(C[NH2+]CC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000355146586 381642399 /nfs/dbraw/zinc/64/23/99/381642399.db2.gz GMHLCTBLVYHILE-UHFFFAOYSA-N 1 0 286.278 2.738 20 5 CFBDRO Cc1cc(N2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359882505 381656973 /nfs/dbraw/zinc/65/69/73/381656973.db2.gz SFIBIUWBHOSSCF-UHFFFAOYSA-N 1 0 281.331 2.573 20 5 CFBDRO COc1cccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000185524565 381657026 /nfs/dbraw/zinc/65/70/26/381657026.db2.gz OFVJHIYHDRUCGH-VXGBXAGGSA-N 1 0 293.367 2.888 20 5 CFBDRO COc1ccc(C[NH+]2CC(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000348704848 381674405 /nfs/dbraw/zinc/67/44/05/381674405.db2.gz FOKPMESVGJMOER-UHFFFAOYSA-N 1 0 276.336 2.835 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348713174 381682114 /nfs/dbraw/zinc/68/21/14/381682114.db2.gz VTFPQAYGFCUTNN-ZBKLQPJUSA-N 1 0 276.336 2.719 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000371768740 381697674 /nfs/dbraw/zinc/69/76/74/381697674.db2.gz BVKCVDKOJVMTCG-RRFJBIMHSA-N 1 0 290.363 2.840 20 5 CFBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415007587 381700378 /nfs/dbraw/zinc/70/03/78/381700378.db2.gz LOSJNEVLCUKLBE-QWRGUYRKSA-N 1 0 289.335 2.680 20 5 CFBDRO CO[C@H](C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000348836482 381729919 /nfs/dbraw/zinc/72/99/19/381729919.db2.gz WPPJECYWPLDAIM-XYLWRLHESA-N 1 0 264.325 2.575 20 5 CFBDRO CC(C)(C)[C@@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000415051423 381736517 /nfs/dbraw/zinc/73/65/17/381736517.db2.gz JSMOFJSKHNMAKV-IQCBXXCUSA-N 1 0 277.368 2.571 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1C ZINC000355307303 381741328 /nfs/dbraw/zinc/74/13/28/381741328.db2.gz CPHHRZABEHBQCI-ZDUSSCGKSA-N 1 0 279.384 2.723 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000185811501 381741885 /nfs/dbraw/zinc/74/18/85/381741885.db2.gz FROUJLGLTGCLAG-AUUJDBSMSA-N 1 0 276.336 2.525 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056557 381742452 /nfs/dbraw/zinc/74/24/52/381742452.db2.gz SHCYEQQSUCIJNF-ZBFHGGJFSA-N 1 0 289.379 2.559 20 5 CFBDRO CCc1ccccc1[C@@H]([NH3+])CNCc1cccc([N+](=O)[O-])c1 ZINC000415065257 381750488 /nfs/dbraw/zinc/75/04/88/381750488.db2.gz MNJYYFWZIWKOFW-KRWDZBQOSA-N 1 0 299.374 2.947 20 5 CFBDRO CC(C)(C)CCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348891496 381756001 /nfs/dbraw/zinc/75/60/01/381756001.db2.gz GSEUXLYNZNTOQO-UHFFFAOYSA-N 1 0 265.357 2.796 20 5 CFBDRO C[C@H]1[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343456848 381724366 /nfs/dbraw/zinc/72/43/66/381724366.db2.gz JZRPTNZJJUWTDR-WCBMZHEXSA-N 1 0 284.747 2.538 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCCCO1 ZINC000299019107 381798979 /nfs/dbraw/zinc/79/89/79/381798979.db2.gz FNSNIKDCKQDNRU-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000372155483 381765560 /nfs/dbraw/zinc/76/55/60/381765560.db2.gz KQVSQNNYOQUTKW-LSDHHAIUSA-N 1 0 276.336 2.503 20 5 CFBDRO CC(C)CN(CC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000348918917 381767010 /nfs/dbraw/zinc/76/70/10/381767010.db2.gz DPOKVSPZCVVHST-UHFFFAOYSA-N 1 0 285.413 2.676 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343606266 381836819 /nfs/dbraw/zinc/83/68/19/381836819.db2.gz PBHFFVIOTJTFLT-BXUZGUMPSA-N 1 0 293.367 2.636 20 5 CFBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000415138819 381803265 /nfs/dbraw/zinc/80/32/65/381803265.db2.gz QJPHUQYEGHCIIB-LBPRGKRZSA-N 1 0 289.360 2.546 20 5 CFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415493952 381849159 /nfs/dbraw/zinc/84/91/59/381849159.db2.gz DLGMQYOFVHODQU-LLVKDONJSA-N 1 0 294.355 2.542 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)(C)O ZINC000292924796 381906295 /nfs/dbraw/zinc/90/62/95/381906295.db2.gz GKVLHMPHNLGBSL-ZDUSSCGKSA-N 1 0 266.341 2.542 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186492834 381925981 /nfs/dbraw/zinc/92/59/81/381925981.db2.gz VFERCPILQUENJU-YQRAZLAVSA-N 1 0 278.352 2.963 20 5 CFBDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343687173 381887901 /nfs/dbraw/zinc/88/79/01/381887901.db2.gz ZUEGRPNSEITICZ-VXGBXAGGSA-N 1 0 268.361 2.596 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000292893252 381889711 /nfs/dbraw/zinc/88/97/11/381889711.db2.gz GASWJUGGFJTSPW-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO C[N@@H+]1CC[C@]2(CCN(c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000293057985 381971492 /nfs/dbraw/zinc/97/14/92/381971492.db2.gz MTTSEUKWBRCSKL-AWEZNQCLSA-N 1 0 295.770 2.780 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000362328537 382008174 /nfs/dbraw/zinc/00/81/74/382008174.db2.gz SUAAXMWHODVRQZ-AOOOYVTPSA-N 1 0 282.315 2.830 20 5 CFBDRO COc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000362328538 382008832 /nfs/dbraw/zinc/00/88/32/382008832.db2.gz SUAAXMWHODVRQZ-NXEZZACHSA-N 1 0 282.315 2.830 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCO)CCCC2 ZINC000417331524 382043044 /nfs/dbraw/zinc/04/30/44/382043044.db2.gz MGBQLQSXQRHSCK-HNNXBMFYSA-N 1 0 278.352 2.724 20 5 CFBDRO C[C@H](CO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347179 382048091 /nfs/dbraw/zinc/04/80/91/382048091.db2.gz WSPADJVPFJAQJC-NHYWBVRUSA-N 1 0 278.352 2.580 20 5 CFBDRO Cc1c([C@@H](C)NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000293282471 382062533 /nfs/dbraw/zinc/06/25/33/382062533.db2.gz CWDCFQCRMYEDRN-DGCLKSJQSA-N 1 0 279.384 2.752 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000343929420 382024352 /nfs/dbraw/zinc/02/43/52/382024352.db2.gz QMNDMINPYUPYOX-NHYWBVRUSA-N 1 0 277.368 2.586 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](CC(C)C)[NH+](C)C ZINC000301210700 382106926 /nfs/dbraw/zinc/10/69/26/382106926.db2.gz WJWHJTNCEBHRLP-LBPRGKRZSA-N 1 0 280.372 2.686 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344024097 382073740 /nfs/dbraw/zinc/07/37/40/382073740.db2.gz VJHZKFRCQZNITO-NSHDSACASA-N 1 0 264.300 2.966 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000351972065 382099295 /nfs/dbraw/zinc/09/92/95/382099295.db2.gz ZVUIURYGULAKSQ-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO CCC[N@@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301360245 382157966 /nfs/dbraw/zinc/15/79/66/382157966.db2.gz ADWSYCBPIWLHNV-UHFFFAOYSA-N 1 0 281.331 2.656 20 5 CFBDRO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301375010 382161048 /nfs/dbraw/zinc/16/10/48/382161048.db2.gz VLQRFKGIDNHZDP-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CC(C)SCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376759903 382173305 /nfs/dbraw/zinc/17/33/05/382173305.db2.gz XGLIIGLJOSVETN-LBPRGKRZSA-N 1 0 298.412 2.570 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H](CO)c3ccccc32)c1 ZINC000376958710 382197395 /nfs/dbraw/zinc/19/73/95/382197395.db2.gz SEGBCJTVEROKMC-CXAGYDPISA-N 1 0 298.342 2.905 20 5 CFBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222226 382231881 /nfs/dbraw/zinc/23/18/81/382231881.db2.gz PXAJXHIHIIPVLV-NEPJUHHUSA-N 1 0 266.341 2.667 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000357572343 382232548 /nfs/dbraw/zinc/23/25/48/382232548.db2.gz UGNBVCCUYSHTAP-NSHDSACASA-N 1 0 251.330 2.735 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000357699912 382284619 /nfs/dbraw/zinc/28/46/19/382284619.db2.gz DAXQFBNPVUQOOU-AWEZNQCLSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@@H](F)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000352360545 382288806 /nfs/dbraw/zinc/28/88/06/382288806.db2.gz GCOAHNMSDARLHB-LLVKDONJSA-N 1 0 254.305 2.817 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419332512 382289565 /nfs/dbraw/zinc/28/95/65/382289565.db2.gz SQLSZASRBJSCAF-NWDGAFQWSA-N 1 0 294.399 2.975 20 5 CFBDRO CCCCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364326133 382307004 /nfs/dbraw/zinc/30/70/04/382307004.db2.gz FNTLJSSMHFMVOI-GFCCVEGCSA-N 1 0 266.345 2.618 20 5 CFBDRO COc1cc(C[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000352404736 382310505 /nfs/dbraw/zinc/31/05/05/382310505.db2.gz IZGPDJLTMZFLCM-UHFFFAOYSA-N 1 0 252.314 2.691 20 5 CFBDRO CC/C=C/CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364344387 382311585 /nfs/dbraw/zinc/31/15/85/382311585.db2.gz YIAOLIDLCZGJET-ITDFMYJTSA-N 1 0 278.356 2.785 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000357772891 382312794 /nfs/dbraw/zinc/31/27/94/382312794.db2.gz DROLPZMKRTUPCX-NSHDSACASA-N 1 0 266.345 2.522 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCCO1 ZINC000352417314 382320671 /nfs/dbraw/zinc/32/06/71/382320671.db2.gz OPTBVFBKUIJRKL-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000357805345 382329918 /nfs/dbraw/zinc/32/99/18/382329918.db2.gz LVWKDVKVHNMTSM-NSHDSACASA-N 1 0 297.403 2.652 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267878 382338807 /nfs/dbraw/zinc/33/88/07/382338807.db2.gz GFHXMLVOHQIYRW-KBPBESRZSA-N 1 0 291.395 2.896 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cncn1C ZINC000352452026 382340128 /nfs/dbraw/zinc/34/01/28/382340128.db2.gz ACAPVURQTOZYCA-SDQBBNPISA-N 1 0 286.335 2.521 20 5 CFBDRO C[NH2+][C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420287864 382342300 /nfs/dbraw/zinc/34/23/00/382342300.db2.gz GREVNWYRSLKXEJ-QWHCGFSZSA-N 1 0 277.368 2.648 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000377921128 382369520 /nfs/dbraw/zinc/36/95/20/382369520.db2.gz XJGAQSOIDYWKSM-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000420356900 382380169 /nfs/dbraw/zinc/38/01/69/382380169.db2.gz CYPXBWLPKGGORJ-JUFZMCDQSA-N 1 0 277.368 2.632 20 5 CFBDRO [NH3+]CC[C@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352526638 382381371 /nfs/dbraw/zinc/38/13/71/382381371.db2.gz QAYGPIZLMKFLLN-ZQMJAJRESA-N 1 0 289.379 2.811 20 5 CFBDRO CCCCOCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549532 382393090 /nfs/dbraw/zinc/39/30/90/382393090.db2.gz COGSLFCSPOVMGB-UHFFFAOYSA-N 1 0 280.368 2.886 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798185 382347094 /nfs/dbraw/zinc/34/70/94/382347094.db2.gz FHBVZXLJMNKKRE-ZYHUDNBSSA-N 1 0 286.335 2.526 20 5 CFBDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000378268555 382427221 /nfs/dbraw/zinc/42/72/21/382427221.db2.gz FXMITENVLNGFKD-KRWDZBQOSA-N 1 0 297.358 2.871 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352659569 382436531 /nfs/dbraw/zinc/43/65/31/382436531.db2.gz OALJUEYTPUGROS-WCQYABFASA-N 1 0 284.743 2.593 20 5 CFBDRO CCOc1cccc(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420644980 382442789 /nfs/dbraw/zinc/44/27/89/382442789.db2.gz ZHIWMKQFCUXSIF-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO CC(C)CC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571573 382399317 /nfs/dbraw/zinc/39/93/17/382399317.db2.gz WJSNBLNUCMONKB-OAHLLOKOSA-N 1 0 294.395 2.866 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413379 382402884 /nfs/dbraw/zinc/40/28/84/382402884.db2.gz ZXIIDDWCNYCWPT-DZGCQCFKSA-N 1 0 289.379 2.559 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CC=C(C)CC1 ZINC000358160241 382476709 /nfs/dbraw/zinc/47/67/09/382476709.db2.gz KCUDRIPCGHEUKP-UHFFFAOYSA-N 1 0 289.379 2.645 20 5 CFBDRO CCOc1cc(NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000308659208 382483880 /nfs/dbraw/zinc/48/38/80/382483880.db2.gz QUZDSUNFKRFZKI-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO C[NH+](C)CC(C)(C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000308656017 382484243 /nfs/dbraw/zinc/48/42/43/382484243.db2.gz BAHCYFDVXAOYRR-UHFFFAOYSA-N 1 0 273.283 2.625 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn[nH]c1 ZINC000353190044 382523406 /nfs/dbraw/zinc/52/34/06/382523406.db2.gz INUADRWSRXEBME-KPKJPENVSA-N 1 0 286.335 2.554 20 5 CFBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358203309 382503744 /nfs/dbraw/zinc/50/37/44/382503744.db2.gz NPJQYAIEYCCQQK-WCQYABFASA-N 1 0 296.367 2.605 20 5 CFBDRO CC1=CCN(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000358230066 382515566 /nfs/dbraw/zinc/51/55/66/382515566.db2.gz GPIRTDHHDIFOCX-CQSZACIVSA-N 1 0 289.379 2.897 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]12CCOC2 ZINC000421399977 382518126 /nfs/dbraw/zinc/51/81/26/382518126.db2.gz JDDXKVVFBODUFG-LRFDDAOPSA-N 1 0 288.347 2.863 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649725 382538425 /nfs/dbraw/zinc/53/84/25/382538425.db2.gz DAIWJSRCJYKJBB-CABCVRRESA-N 1 0 290.363 2.762 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)O1 ZINC000294949807 382545738 /nfs/dbraw/zinc/54/57/38/382545738.db2.gz CCBNPSXRDLXEHW-KKFJDGPESA-N 1 0 284.743 2.904 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294949501 382546221 /nfs/dbraw/zinc/54/62/21/382546221.db2.gz CWOLZAONAIUYCR-WAFBPQNNSA-N 1 0 278.352 2.747 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000328241821 382547686 /nfs/dbraw/zinc/54/76/86/382547686.db2.gz LJVOBDJEHLSQMW-LBPRGKRZSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000358306238 382558895 /nfs/dbraw/zinc/55/88/95/382558895.db2.gz UBMWZZWJJXEDHK-LBPRGKRZSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189183581 382561489 /nfs/dbraw/zinc/56/14/89/382561489.db2.gz FMCZACDRIJXASL-MRXNPFEDSA-N 1 0 290.363 2.986 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000387725685 382601620 /nfs/dbraw/zinc/60/16/20/382601620.db2.gz QOROOMAHRXLWJD-NEPJUHHUSA-N 1 0 264.325 2.739 20 5 CFBDRO CCC[C@H]([NH2+]C(COC)COC)c1cccc([N+](=O)[O-])c1 ZINC000388501928 382607826 /nfs/dbraw/zinc/60/78/26/382607826.db2.gz MOOSMSAXRJWGOQ-HNNXBMFYSA-N 1 0 296.367 2.687 20 5 CFBDRO CCC[NH2+][C@@H](C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295315696 382614984 /nfs/dbraw/zinc/61/49/84/382614984.db2.gz YQIPKMZNHMBABH-SMDDNHRTSA-N 1 0 293.367 2.550 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)C1CCCCC1 ZINC000190316068 382662047 /nfs/dbraw/zinc/66/20/47/382662047.db2.gz NUYHQRASKPAQNH-NSHDSACASA-N 1 0 298.412 2.974 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)F)c(Cl)c1 ZINC000190892722 382683978 /nfs/dbraw/zinc/68/39/78/382683978.db2.gz KUJVJUXQVPABNH-UHFFFAOYSA-N 1 0 294.685 2.620 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000189685893 382635317 /nfs/dbraw/zinc/63/53/17/382635317.db2.gz IGZJKXDUEVOCFX-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO C[NH2+][C@@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420287854 532949772 /nfs/dbraw/zinc/94/97/72/532949772.db2.gz GREVNWYRSLKXEJ-CHWSQXEVSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000192249897 382706027 /nfs/dbraw/zinc/70/60/27/382706027.db2.gz QSDNBICOKCZHRD-QWRGUYRKSA-N 1 0 274.324 2.740 20 5 CFBDRO Cc1cccn2cc(CNc3ncc([N+](=O)[O-])s3)nc12 ZINC000192517909 382709747 /nfs/dbraw/zinc/70/97/47/382709747.db2.gz SHFBIGJQQJEVST-UHFFFAOYSA-N 1 0 289.320 2.620 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192964836 382714019 /nfs/dbraw/zinc/71/40/19/382714019.db2.gz LVDCBGRENWTVRE-HIFRSBDPSA-N 1 0 278.352 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000575029111 382724208 /nfs/dbraw/zinc/72/42/08/382724208.db2.gz KYIMLBAQEXKHMH-AWEZNQCLSA-N 1 0 295.770 2.828 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000193969096 382731503 /nfs/dbraw/zinc/73/15/03/382731503.db2.gz DQWTVIFHQSRZQL-UHFFFAOYSA-N 1 0 291.307 2.879 20 5 CFBDRO COc1ccc(C[NH2+]CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000336847066 382734284 /nfs/dbraw/zinc/73/42/84/382734284.db2.gz CQDGHJQCYUYETK-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000336846962 382734287 /nfs/dbraw/zinc/73/42/87/382734287.db2.gz CFLZGSYDTVFIGG-OCCSQVGLSA-N 1 0 296.367 2.605 20 5 CFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000195507545 382768350 /nfs/dbraw/zinc/76/83/50/382768350.db2.gz AHUYOVYUOPGIEJ-SNVBAGLBSA-N 1 0 284.385 2.584 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195511645 382768587 /nfs/dbraw/zinc/76/85/87/382768587.db2.gz OBFVGWOTOPYBQJ-SNVBAGLBSA-N 1 0 284.385 2.584 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000217400944 382786556 /nfs/dbraw/zinc/78/65/56/382786556.db2.gz OTLKYSBSAXTEFE-CYBMUJFWSA-N 1 0 279.384 2.723 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989607 382791635 /nfs/dbraw/zinc/79/16/35/382791635.db2.gz VXZCUKBHUNAFOJ-ZDUSSCGKSA-N 1 0 286.759 2.889 20 5 CFBDRO O=C(CC[N@@H+]1CCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000337038419 382754949 /nfs/dbraw/zinc/75/49/49/382754949.db2.gz KUFQHUDEYLGIQX-UHFFFAOYSA-N 1 0 289.335 2.552 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000228554070 382847699 /nfs/dbraw/zinc/84/76/99/382847699.db2.gz RSLQTPJWKWTRNV-GFCCVEGCSA-N 1 0 266.366 2.746 20 5 CFBDRO CC(C)OCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000228565729 382847946 /nfs/dbraw/zinc/84/79/46/382847946.db2.gz ABDNWYCCFGYFBD-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO Cc1c(C[NH2+]C(C)(C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000223250601 382804749 /nfs/dbraw/zinc/80/47/49/382804749.db2.gz GHIORXLDLLGMGG-UHFFFAOYSA-N 1 0 266.341 2.542 20 5 CFBDRO CCC[N@H+](CC)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577231399 382852803 /nfs/dbraw/zinc/85/28/03/382852803.db2.gz JXVPZBYRQIRFFR-OAHLLOKOSA-N 1 0 291.395 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccn2CC[C@@H]1CC[NH2+]C1 ZINC000576100319 382810084 /nfs/dbraw/zinc/81/00/84/382810084.db2.gz HXCLFVGGVUYDIL-NSHDSACASA-N 1 0 259.309 2.549 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227984663 382843024 /nfs/dbraw/zinc/84/30/24/382843024.db2.gz KEMJDUQLYFGKKA-UHFFFAOYSA-N 1 0 286.759 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCCC[NH2+]C1)CCC2 ZINC000578185432 382896826 /nfs/dbraw/zinc/89/68/26/382896826.db2.gz CVHZWSQWURJGLF-CZUORRHYSA-N 1 0 289.379 2.704 20 5 CFBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441436441 382914153 /nfs/dbraw/zinc/91/41/53/382914153.db2.gz ODJBKERDIKKPPI-VXGBXAGGSA-N 1 0 294.351 2.713 20 5 CFBDRO Cc1cnc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000441945619 382927204 /nfs/dbraw/zinc/92/72/04/382927204.db2.gz LINIDKPXJDFEJZ-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCSC1 ZINC000578522252 382929309 /nfs/dbraw/zinc/92/93/09/382929309.db2.gz GEIZDFIXMHGKCM-GWCFXTLKSA-N 1 0 278.377 2.925 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000579129982 382987186 /nfs/dbraw/zinc/98/71/86/382987186.db2.gz OEVRDOTZWVRASG-WPGHFRTFSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000245454551 383002072 /nfs/dbraw/zinc/00/20/72/383002072.db2.gz HIOUSEJXAVOABE-LOWVWBTDSA-N 1 0 264.325 2.670 20 5 CFBDRO CC[C@@H](F)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363330 383004393 /nfs/dbraw/zinc/00/43/93/383004393.db2.gz UBNUVAVNKKIXLK-GFCCVEGCSA-N 1 0 254.305 2.817 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191633 382969060 /nfs/dbraw/zinc/96/90/60/382969060.db2.gz HKYAYVOYJZKMHB-MFKMUULPSA-N 1 0 284.381 2.639 20 5 CFBDRO CC[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000579614081 383037620 /nfs/dbraw/zinc/03/76/20/383037620.db2.gz PDTOVMXQOQDQOA-MFKMUULPSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@H]1CC[N@H+](CCNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000554002252 383121429 /nfs/dbraw/zinc/12/14/29/383121429.db2.gz YFYKVWQFKZWBSH-SDQPKGBYSA-N 1 0 289.379 2.539 20 5 CFBDRO CC[C@@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554083243 383124631 /nfs/dbraw/zinc/12/46/31/383124631.db2.gz MLDHMIZXJQGUPH-BXUZGUMPSA-N 1 0 264.325 2.752 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000608886430 383133589 /nfs/dbraw/zinc/13/35/89/383133589.db2.gz TVVXQZIRDIJWEN-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOC(F)(F)F ZINC000449279662 383196655 /nfs/dbraw/zinc/19/66/55/383196655.db2.gz SBCIOUVQTJKLSQ-SECBINFHSA-N 1 0 292.257 2.652 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000449083174 383167284 /nfs/dbraw/zinc/16/72/84/383167284.db2.gz ATBRAPUVXLCOQA-QWHCGFSZSA-N 1 0 278.352 2.542 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCC[NH+]1CCC(C)CC1 ZINC000567198862 383250635 /nfs/dbraw/zinc/25/06/35/383250635.db2.gz GDJWPWQBNVUMDI-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339581855 383251793 /nfs/dbraw/zinc/25/17/93/383251793.db2.gz DLKJLLBLTLFMRY-RYUDHWBXSA-N 1 0 252.289 2.883 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000520960299 383281251 /nfs/dbraw/zinc/28/12/51/383281251.db2.gz ZXORBWVODGACBK-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1=CCOCC1 ZINC000449400801 383265796 /nfs/dbraw/zinc/26/57/96/383265796.db2.gz DGFRWCCXEGBMBE-HYXAFXHYSA-N 1 0 274.320 2.544 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1=CCOCC1 ZINC000449400800 383265847 /nfs/dbraw/zinc/26/58/47/383265847.db2.gz DGFRWCCXEGBMBE-HWKANZROSA-N 1 0 274.320 2.544 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]1C(F)F ZINC000449320997 383215140 /nfs/dbraw/zinc/21/51/40/383215140.db2.gz QMZXJKQXFJFFIU-MIMYLULJSA-N 1 0 270.279 2.769 20 5 CFBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248326840 383223482 /nfs/dbraw/zinc/22/34/82/383223482.db2.gz CCWAIAIAWPFFNI-RYUDHWBXSA-N 1 0 264.325 2.704 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248332110 383223659 /nfs/dbraw/zinc/22/36/59/383223659.db2.gz FFNRGVHFFYJUJV-RYUDHWBXSA-N 1 0 294.351 2.713 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000449346504 383230348 /nfs/dbraw/zinc/23/03/48/383230348.db2.gz ZYCNEVIAMPBQKM-SMDDNHRTSA-N 1 0 280.368 2.665 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000449513647 383348759 /nfs/dbraw/zinc/34/87/59/383348759.db2.gz WGXHAZVIYDPBQE-GOEBONIOSA-N 1 0 294.395 2.974 20 5 CFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000449506503 383342410 /nfs/dbraw/zinc/34/24/10/383342410.db2.gz KZMAFAIGGDIHGT-HZPDHXFCSA-N 1 0 294.395 2.974 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC(C)(C)C ZINC000521834263 383310250 /nfs/dbraw/zinc/31/02/50/383310250.db2.gz XLPYVINZDYWVDV-UHFFFAOYSA-N 1 0 296.367 2.898 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cs1 ZINC000449467422 383310904 /nfs/dbraw/zinc/31/09/04/383310904.db2.gz JBBFWKPOJJWCMU-JHJVBQTASA-N 1 0 296.392 2.782 20 5 CFBDRO CC(C)=CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000479277615 383402024 /nfs/dbraw/zinc/40/20/24/383402024.db2.gz ZQWAWJAYDIQBCB-GFCCVEGCSA-N 1 0 291.351 2.868 20 5 CFBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C[NH3+] ZINC000252220440 383406237 /nfs/dbraw/zinc/40/62/37/383406237.db2.gz YWPROUZMSGZOIG-YGRLFVJLSA-N 1 0 297.786 2.807 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1C(C)=O ZINC000425257923 383351926 /nfs/dbraw/zinc/35/19/26/383351926.db2.gz RSZZOFJJMJYUGW-UHFFFAOYSA-N 1 0 293.367 2.575 20 5 CFBDRO C[C@H](CO)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000340104019 383354749 /nfs/dbraw/zinc/35/47/49/383354749.db2.gz IBNODMSLCQYOOU-LJLILKBBSA-N 1 0 278.352 2.606 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C(C)C ZINC000468629430 383362167 /nfs/dbraw/zinc/36/21/67/383362167.db2.gz MMQMGJCHJXQJAI-LPDYGMJQSA-N 1 0 292.379 2.995 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449758387 383364744 /nfs/dbraw/zinc/36/47/44/383364744.db2.gz GMJZKNKSQANMNH-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000524619874 383377059 /nfs/dbraw/zinc/37/70/59/383377059.db2.gz MIKORHVDUVQGMA-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000340202703 383380818 /nfs/dbraw/zinc/38/08/18/383380818.db2.gz PCLHQKRYVVRXCO-IAQYHMDHSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000340219713 383384295 /nfs/dbraw/zinc/38/42/95/383384295.db2.gz YRDBBRHSXWFPCG-UHFFFAOYSA-N 1 0 279.340 2.572 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340230389 383386567 /nfs/dbraw/zinc/38/65/67/383386567.db2.gz HGCGSVWPODSESA-NHYWBVRUSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000340523469 383457352 /nfs/dbraw/zinc/45/73/52/383457352.db2.gz DPEAUTYQHDXGJS-GFCCVEGCSA-N 1 0 288.351 2.991 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000289951334 197539069 /nfs/dbraw/zinc/53/90/69/197539069.db2.gz BXRXVKIOMAXFRG-CQSZACIVSA-N 1 0 294.351 2.890 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000428470457 383480569 /nfs/dbraw/zinc/48/05/69/383480569.db2.gz PENGUWFINIJYQL-AJKQWTFCSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255639300 383484936 /nfs/dbraw/zinc/48/49/36/383484936.db2.gz PFUCDPIPXPDCDO-ALCCZGGFSA-N 1 0 289.379 2.634 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450823975 383505226 /nfs/dbraw/zinc/50/52/26/383505226.db2.gz CRCSMDLVCKKLFR-LBPRGKRZSA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1c(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000261625533 383531027 /nfs/dbraw/zinc/53/10/27/383531027.db2.gz GZHZGRJJRPHAHO-NEPJUHHUSA-N 1 0 291.351 2.749 20 5 CFBDRO Cc1c(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000261625537 383531333 /nfs/dbraw/zinc/53/13/33/383531333.db2.gz GZHZGRJJRPHAHO-RYUDHWBXSA-N 1 0 291.351 2.749 20 5 CFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751969 383573620 /nfs/dbraw/zinc/57/36/20/383573620.db2.gz XDVBPXZFJVLQAF-WWGRRREGSA-N 1 0 289.379 2.761 20 5 CFBDRO CCc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261875762 383574132 /nfs/dbraw/zinc/57/41/32/383574132.db2.gz VTDMGXWNYYFDMT-UHFFFAOYSA-N 1 0 288.307 2.545 20 5 CFBDRO C[C@]1(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]C1 ZINC000262005500 383593460 /nfs/dbraw/zinc/59/34/60/383593460.db2.gz LUQJJMGCKZBBPK-INIZCTEOSA-N 1 0 289.379 2.559 20 5 CFBDRO [NH3+][C@H]1Cc2ccccc2N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000262023592 383596382 /nfs/dbraw/zinc/59/63/82/383596382.db2.gz YAPXJMUPDNXLSX-HNNXBMFYSA-N 1 0 297.358 2.527 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@](O)(C2CC2)C1 ZINC000489247349 383601174 /nfs/dbraw/zinc/60/11/74/383601174.db2.gz FSYPMPLWJRAOLW-CQSZACIVSA-N 1 0 296.754 2.595 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000570448361 383604781 /nfs/dbraw/zinc/60/47/81/383604781.db2.gz XBRPOMYVGQCMBQ-CYBMUJFWSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000422942447 532994954 /nfs/dbraw/zinc/99/49/54/532994954.db2.gz KFLFBDYXDBXROB-DYVFJYSZSA-N 1 0 299.374 2.643 20 5 CFBDRO Cc1ccc(CN2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488536927 383556818 /nfs/dbraw/zinc/55/68/18/383556818.db2.gz XNSFCHPLYDHNMZ-INIZCTEOSA-N 1 0 291.395 2.675 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770653 383567892 /nfs/dbraw/zinc/56/78/92/383567892.db2.gz KSXKGUBJEIILMA-VXGBXAGGSA-N 1 0 296.342 2.717 20 5 CFBDRO CO[C@@H](C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546740 383641655 /nfs/dbraw/zinc/64/16/55/383641655.db2.gz JOSWFVZGXIPODB-JSGCOSHPSA-N 1 0 278.352 2.809 20 5 CFBDRO CC[C@](C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548460 383642378 /nfs/dbraw/zinc/64/23/78/383642378.db2.gz NKNNUBLAWCWLEV-HOCLYGCPSA-N 1 0 292.379 2.935 20 5 CFBDRO CC(C)[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553282 383645328 /nfs/dbraw/zinc/64/53/28/383645328.db2.gz YAXNKQKNHVDFRL-GOEBONIOSA-N 1 0 292.379 2.791 20 5 CFBDRO CC1=C(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280860637 195005781 /nfs/dbraw/zinc/00/57/81/195005781.db2.gz YSNAPRVANIEOTC-HNNXBMFYSA-N 1 0 276.336 2.670 20 5 CFBDRO CC1CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572104740 383754379 /nfs/dbraw/zinc/75/43/79/383754379.db2.gz YNLYZLUHZXYKAR-FIYWTHMPSA-N 1 0 278.356 2.663 20 5 CFBDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000264550376 383754682 /nfs/dbraw/zinc/75/46/82/383754682.db2.gz ZLBBNEXOURNAKS-AWEZNQCLSA-N 1 0 299.330 2.863 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451626206 383670068 /nfs/dbraw/zinc/67/00/68/383670068.db2.gz RUSWBARDTOTOEF-HEHGZKQESA-N 1 0 289.379 2.600 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453220593 383805010 /nfs/dbraw/zinc/80/50/10/383805010.db2.gz IVYSGXJMMXRNDK-NEPJUHHUSA-N 1 0 286.335 2.667 20 5 CFBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]12 ZINC000531381595 383859161 /nfs/dbraw/zinc/85/91/61/383859161.db2.gz QQKKNRZMWQFNRY-HZSPNIEDSA-N 1 0 292.383 2.692 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000573157869 383880907 /nfs/dbraw/zinc/88/09/07/383880907.db2.gz CVTZFBTXIOHNMK-GFCCVEGCSA-N 1 0 278.356 2.501 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C(C)(C)C ZINC000572875329 383831488 /nfs/dbraw/zinc/83/14/88/383831488.db2.gz CHHVUVCDMIVCDJ-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])O1 ZINC000453630012 383890442 /nfs/dbraw/zinc/89/04/42/383890442.db2.gz LWSPBCCPSBJLGR-LJXYTEIVSA-N 1 0 276.336 2.765 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453630717 383890496 /nfs/dbraw/zinc/89/04/96/383890496.db2.gz MMIWHIASHJNWNG-BXUZGUMPSA-N 1 0 294.351 2.651 20 5 CFBDRO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000438334597 383984878 /nfs/dbraw/zinc/98/48/78/383984878.db2.gz MAJXFSABONEWND-PKYBCLHXSA-N 1 0 290.363 2.701 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCc1nccs1 ZINC000265536003 383941233 /nfs/dbraw/zinc/94/12/33/383941233.db2.gz KATYLBFDCOBXON-UHFFFAOYSA-N 1 0 277.349 2.774 20 5 CFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000265570898 383948774 /nfs/dbraw/zinc/94/87/74/383948774.db2.gz UZCBJAJEQBHFRH-UHFFFAOYSA-N 1 0 296.758 2.682 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000531962930 383949084 /nfs/dbraw/zinc/94/90/84/383949084.db2.gz JJFFEGVGUAQAIC-QWHCGFSZSA-N 1 0 279.384 2.894 20 5 CFBDRO CC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531983860 383953745 /nfs/dbraw/zinc/95/37/45/383953745.db2.gz CQLYRTRIRNTEKL-BBRMVZONSA-N 1 0 291.395 2.977 20 5 CFBDRO Cc1ccc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000573998985 384025435 /nfs/dbraw/zinc/02/54/35/384025435.db2.gz ZYVWKNWFNCNDAL-UHFFFAOYSA-N 1 0 275.352 2.944 20 5 CFBDRO O=C(CC[N@@H+]1CCC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000573899913 384007727 /nfs/dbraw/zinc/00/77/27/384007727.db2.gz DDBOLYIRDBNZNR-UHFFFAOYSA-N 1 0 289.335 2.552 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](OC(C)C)C1 ZINC000573917055 384012087 /nfs/dbraw/zinc/01/20/87/384012087.db2.gz LPMPGVGLTSNSDR-CQSZACIVSA-N 1 0 294.351 2.603 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)c1ccccc1 ZINC000574291702 384075503 /nfs/dbraw/zinc/07/55/03/384075503.db2.gz HLAAMNPFYJOUAJ-HZPDHXFCSA-N 1 0 298.342 2.905 20 5 CFBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCC[C@H]1C ZINC000444672560 285093291 /nfs/dbraw/zinc/09/32/91/285093291.db2.gz HDFXKGZZFDGVII-VXGBXAGGSA-N 1 0 280.372 2.729 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000266745421 384231005 /nfs/dbraw/zinc/23/10/05/384231005.db2.gz ATSVECNSDFRUDV-SMDDNHRTSA-N 1 0 266.341 2.916 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CCO)CCCC2)cs1 ZINC000266618165 384209252 /nfs/dbraw/zinc/20/92/52/384209252.db2.gz KDOSHKYRPXDAFD-UHFFFAOYSA-N 1 0 284.381 2.689 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266990315 384274680 /nfs/dbraw/zinc/27/46/80/384274680.db2.gz AMNTYIDEYCNWBJ-YPMHNXCESA-N 1 0 295.358 2.648 20 5 CFBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2F)CCSC1 ZINC000267040448 384285385 /nfs/dbraw/zinc/28/53/85/384285385.db2.gz COMDOZXQODOROA-CYBMUJFWSA-N 1 0 299.371 2.583 20 5 CFBDRO C[C@@H]1C[N@H+](CCCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277813023 384411945 /nfs/dbraw/zinc/41/19/45/384411945.db2.gz YJKQFSBZDJYBRI-CYBMUJFWSA-N 1 0 293.367 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038591 285112018 /nfs/dbraw/zinc/11/20/18/285112018.db2.gz HZUJLDVNDULHDI-ZBFHGGJFSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCCC2)c(Cl)c1 ZINC000289409255 197333609 /nfs/dbraw/zinc/33/36/09/197333609.db2.gz AXFAGFZIFGLZJX-CQSZACIVSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCC1CC1)CCC2 ZINC000278399725 384558347 /nfs/dbraw/zinc/55/83/47/384558347.db2.gz FNNIAYRMZPPLLF-MRXNPFEDSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189364 384559265 /nfs/dbraw/zinc/55/92/65/384559265.db2.gz VHROSFUQOUVXLY-PELKAZGASA-N 1 0 296.758 2.538 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268881419 384684138 /nfs/dbraw/zinc/68/41/38/384684138.db2.gz LRYSVRBNFVDHTN-MJVIPROJSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCN1CC=CCC1 ZINC000279626794 384698689 /nfs/dbraw/zinc/69/86/89/384698689.db2.gz BLLRXEZSIPXOAY-UHFFFAOYSA-N 1 0 295.770 2.600 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)CC1CCC1 ZINC000279626841 384699187 /nfs/dbraw/zinc/69/91/87/384699187.db2.gz BLPSFJUWZOVBCG-LWUPOJRFSA-N 1 0 290.363 2.749 20 5 CFBDRO CC(C)[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268962043 384702943 /nfs/dbraw/zinc/70/29/43/384702943.db2.gz XYADPIODIPXDSH-ZBFHGGJFSA-N 1 0 292.379 2.522 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000280666288 385107260 /nfs/dbraw/zinc/10/72/60/385107260.db2.gz TXNRMJXOUWJWLF-OAHLLOKOSA-N 1 0 278.352 2.904 20 5 CFBDRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270813117 385235373 /nfs/dbraw/zinc/23/53/73/385235373.db2.gz WZZBTGJCXPQWKG-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651979 385361841 /nfs/dbraw/zinc/36/18/41/385361841.db2.gz CIYVZMQRAHZIMJ-LSDHHAIUSA-N 1 0 296.342 2.859 20 5 CFBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000282908109 385409131 /nfs/dbraw/zinc/40/91/31/385409131.db2.gz XFUNHVMRIBEBBM-NSHDSACASA-N 1 0 275.308 2.785 20 5 CFBDRO C=Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000283043521 385428183 /nfs/dbraw/zinc/42/81/83/385428183.db2.gz OGPXYDXKTUYLEG-UHFFFAOYSA-N 1 0 286.335 2.566 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284146960 385541355 /nfs/dbraw/zinc/54/13/55/385541355.db2.gz PBMNXTMONIMPFM-MNOVXSKESA-N 1 0 286.335 2.984 20 5 CFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000272472186 385545749 /nfs/dbraw/zinc/54/57/49/385545749.db2.gz IGTZFTWTCJDPQE-NSHDSACASA-N 1 0 295.358 2.900 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000272479310 385548001 /nfs/dbraw/zinc/54/80/01/385548001.db2.gz GMZHQPZVWUNGJR-DZGCQCFKSA-N 1 0 278.352 2.578 20 5 CFBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286137170 385563081 /nfs/dbraw/zinc/56/30/81/385563081.db2.gz MYJAYPRMXKIYOL-KCPJHIHWSA-N 1 0 278.352 2.797 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000288805827 197169552 /nfs/dbraw/zinc/16/95/52/197169552.db2.gz MCAQSIZHLVAWDA-INIZCTEOSA-N 1 0 292.379 2.888 20 5 CFBDRO CC[C@@H](COC)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272619132 385577436 /nfs/dbraw/zinc/57/74/36/385577436.db2.gz LQDAFQJIDJWHTQ-LBPRGKRZSA-N 1 0 286.759 2.805 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286378931 385603481 /nfs/dbraw/zinc/60/34/81/385603481.db2.gz KIHDXFLJLUWWDF-QMMMGPOBSA-N 1 0 289.282 2.558 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286338923 385593005 /nfs/dbraw/zinc/59/30/05/385593005.db2.gz KRLMVRLCSMIANX-PBWFPOADSA-N 1 0 289.379 2.965 20 5 CFBDRO CC(=O)c1cc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286839344 385719773 /nfs/dbraw/zinc/71/97/73/385719773.db2.gz FSQUAFPIRZDZNW-UHFFFAOYSA-N 1 0 293.367 2.797 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287192836 385800299 /nfs/dbraw/zinc/80/02/99/385800299.db2.gz HSGHJVHDIYDIBA-CYBMUJFWSA-N 1 0 292.383 2.853 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000275031662 385916610 /nfs/dbraw/zinc/91/66/10/385916610.db2.gz CMAKIEFOEIUZDL-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154610 385947672 /nfs/dbraw/zinc/94/76/72/385947672.db2.gz QCLPBJJVVCMCPP-IAQYHMDHSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000288499098 197095511 /nfs/dbraw/zinc/09/55/11/197095511.db2.gz HXGGHEXCNHFDOJ-HZMBPMFUSA-N 1 0 292.360 2.868 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277027543 386110900 /nfs/dbraw/zinc/11/09/00/386110900.db2.gz AVLKRBRGFMPYTQ-CQSZACIVSA-N 1 0 277.368 2.511 20 5 CFBDRO CCOCC(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288455160 197083535 /nfs/dbraw/zinc/08/35/35/197083535.db2.gz DGQIIANBSWZMGJ-UHFFFAOYSA-N 1 0 296.367 2.756 20 5 CFBDRO Cc1cc(N[C@@H]2C=C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276938279 386085404 /nfs/dbraw/zinc/08/54/04/386085404.db2.gz AHUBLYIZSMKMJG-NWDGAFQWSA-N 1 0 299.330 2.800 20 5 CFBDRO CCOc1cc(CN2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276944907 386086603 /nfs/dbraw/zinc/08/66/03/386086603.db2.gz STEQEBCFGZFDFH-NEPJUHHUSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281212412 195151722 /nfs/dbraw/zinc/15/17/22/195151722.db2.gz SSFUWUDQJDSOJK-RISCZKNCSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCCO1 ZINC000281391117 195221715 /nfs/dbraw/zinc/22/17/15/195221715.db2.gz WVDVATQBVAYMPW-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1cccc(C(C)(C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341849196 130092898 /nfs/dbraw/zinc/09/28/98/130092898.db2.gz XMCPMHDUTTWTRY-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO COc1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1[N+](=O)[O-] ZINC000191821521 130311660 /nfs/dbraw/zinc/31/16/60/130311660.db2.gz RDZSOTCNAPHEHZ-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000342216414 130389685 /nfs/dbraw/zinc/38/96/85/130389685.db2.gz XJJWMILQTZUTJN-GFCCVEGCSA-N 1 0 279.384 2.758 20 5 CFBDRO CC[N@H+](CCNc1ccc(C(C)=O)cc1[N+](=O)[O-])C1CC1 ZINC000263765050 131325546 /nfs/dbraw/zinc/32/55/46/131325546.db2.gz RPCOEFARDIHREJ-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO CO[C@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000263807036 131336167 /nfs/dbraw/zinc/33/61/67/131336167.db2.gz LOMHAKJHGPKYBN-SECBINFHSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(O)CC1 ZINC000268480336 132015764 /nfs/dbraw/zinc/01/57/64/132015764.db2.gz RZKKQOBPHFXUFO-NSHDSACASA-N 1 0 264.325 2.503 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000269062745 132106607 /nfs/dbraw/zinc/10/66/07/132106607.db2.gz URJORZIXYCHYSQ-WXHSDQCUSA-N 1 0 280.368 2.961 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000311565223 393519919 /nfs/dbraw/zinc/51/99/19/393519919.db2.gz DLUHATSJHRIOFV-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC000037668263 393534174 /nfs/dbraw/zinc/53/41/74/393534174.db2.gz FQUYVCOKINQJMP-UHFFFAOYSA-N 1 0 288.303 2.599 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331496935 393555935 /nfs/dbraw/zinc/55/59/35/393555935.db2.gz NKGPSCWOOPMYOP-AOOOYVTPSA-N 1 0 274.324 2.844 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685656 393566584 /nfs/dbraw/zinc/56/65/84/393566584.db2.gz QCOKYXGFTLCVNE-CJNGLKHVSA-N 1 0 289.379 2.872 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000072089533 393642418 /nfs/dbraw/zinc/64/24/18/393642418.db2.gz AWVNMZFSZAISIN-AWEZNQCLSA-N 1 0 275.352 2.578 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000081707706 393737026 /nfs/dbraw/zinc/73/70/26/393737026.db2.gz ZCTHLNOGFLNSJU-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000077248650 393696870 /nfs/dbraw/zinc/69/68/70/393696870.db2.gz QHKSMROOLYPACJ-UHFFFAOYSA-N 1 0 283.397 2.572 20 5 CFBDRO CC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077249110 393697105 /nfs/dbraw/zinc/69/71/05/393697105.db2.gz WODOPSAGWLVHGW-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cncs1)CC2 ZINC000411331230 393701299 /nfs/dbraw/zinc/70/12/99/393701299.db2.gz LPQQPHAUPGTQOQ-UHFFFAOYSA-N 1 0 289.360 2.652 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219195028 393760102 /nfs/dbraw/zinc/76/01/02/393760102.db2.gz VBOZBCLXMGQULK-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H]([NH2+]CCc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000411464155 393714769 /nfs/dbraw/zinc/71/47/69/393714769.db2.gz XPAZEQBIZIZHHZ-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[NH+](C)C1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000340013081 393834772 /nfs/dbraw/zinc/83/47/72/393834772.db2.gz HAYJXEQXVJIRLV-UHFFFAOYSA-N 1 0 290.150 2.652 20 5 CFBDRO CC1(C)CCC[NH2+][C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000232992486 393782967 /nfs/dbraw/zinc/78/29/67/393782967.db2.gz QYGDJNJVPXNIPC-NSHDSACASA-N 1 0 298.774 2.833 20 5 CFBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424305482 393819778 /nfs/dbraw/zinc/81/97/78/393819778.db2.gz SLIQBNFJVIQOAD-UWOLEIRVSA-N 1 0 290.363 2.888 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CCO)C(C)C ZINC000468630471 393896336 /nfs/dbraw/zinc/89/63/36/393896336.db2.gz YBOAFOCYURQRJO-WQMJKPAKSA-N 1 0 292.379 2.995 20 5 CFBDRO CC[C@]1(O)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470201640 393898710 /nfs/dbraw/zinc/89/87/10/393898710.db2.gz IPYWKDHZZYNSEF-OVHOFWQVSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000430081510 393956425 /nfs/dbraw/zinc/95/64/25/393956425.db2.gz XKUFRFOUTDLKLI-KBVBSXBZSA-N 1 0 274.324 2.605 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000122017960 393963555 /nfs/dbraw/zinc/96/35/55/393963555.db2.gz SCVDLGZMGDQBHG-NSHDSACASA-N 1 0 282.365 2.589 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)C ZINC000430217718 393969580 /nfs/dbraw/zinc/96/95/80/393969580.db2.gz KJGBCZOMGJCVEQ-UHFFFAOYSA-N 1 0 252.314 2.691 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000430223617 393970512 /nfs/dbraw/zinc/97/05/12/393970512.db2.gz YEGWNEZCWHURNL-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125310688 394004548 /nfs/dbraw/zinc/00/45/48/394004548.db2.gz TXYPYPPDHSNMQW-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@@H]1CCOC1)C1CC1 ZINC000437575198 394059688 /nfs/dbraw/zinc/05/96/88/394059688.db2.gz HKUCSZNMQJFQGP-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278896917 394064390 /nfs/dbraw/zinc/06/43/90/394064390.db2.gz ZBRYZFSSAZKVCZ-HZPDHXFCSA-N 1 0 292.379 2.969 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279212671 394066095 /nfs/dbraw/zinc/06/60/95/394066095.db2.gz YHPPEKNSHQAFIL-XHDPSFHLSA-N 1 0 290.363 2.943 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000130220986 394105591 /nfs/dbraw/zinc/10/55/91/394105591.db2.gz PYEAFUUMGYGPRW-DUVNUKRYSA-N 1 0 289.379 2.872 20 5 CFBDRO CC[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000419230464 394034792 /nfs/dbraw/zinc/03/47/92/394034792.db2.gz IPWSTGLCEATHOJ-OAHLLOKOSA-N 1 0 278.352 2.984 20 5 CFBDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353821510 394036382 /nfs/dbraw/zinc/03/63/82/394036382.db2.gz SOGJTLFAJZANLN-YVECIDJPSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286005979 394178348 /nfs/dbraw/zinc/17/83/48/394178348.db2.gz PCVGLLDJRIIGFQ-GBIKHYSHSA-N 1 0 266.366 2.997 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358407193 394106903 /nfs/dbraw/zinc/10/69/03/394106903.db2.gz SVVXVHMCOUZDBP-DYEKYZERSA-N 1 0 277.368 2.504 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420279568 394114894 /nfs/dbraw/zinc/11/48/94/394114894.db2.gz KFDNLEFJNKOTKI-AAEUAGOBSA-N 1 0 293.367 2.671 20 5 CFBDRO CC(C)COCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000282640075 394126028 /nfs/dbraw/zinc/12/60/28/394126028.db2.gz KKVLCGSCTYZREG-UHFFFAOYSA-N 1 0 266.341 2.699 20 5 CFBDRO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047921 394144467 /nfs/dbraw/zinc/14/44/67/394144467.db2.gz OIEAKFWIKYBMJD-GFCCVEGCSA-N 1 0 295.358 2.820 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC000360082415 394145487 /nfs/dbraw/zinc/14/54/87/394145487.db2.gz LGWFFXVHVXFWCI-HNNXBMFYSA-N 1 0 295.358 2.819 20 5 CFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000420995134 394149787 /nfs/dbraw/zinc/14/97/87/394149787.db2.gz DDXHKVGOAPVJQX-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000420991513 394149820 /nfs/dbraw/zinc/14/98/20/394149820.db2.gz IWMBZLJSVVFMSW-HNNXBMFYSA-N 1 0 290.363 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)CC2)c(F)c1 ZINC000421006683 394154764 /nfs/dbraw/zinc/15/47/64/394154764.db2.gz BKNBCEBUIGPMFN-LBPRGKRZSA-N 1 0 296.342 2.718 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000421025213 394162172 /nfs/dbraw/zinc/16/21/72/394162172.db2.gz YEWWLVDPSZJHJN-AWEZNQCLSA-N 1 0 292.379 2.622 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC1(O)CCC1 ZINC000421383112 394213356 /nfs/dbraw/zinc/21/33/56/394213356.db2.gz LMSMAFWFCKEFJA-CYBMUJFWSA-N 1 0 292.379 2.811 20 5 CFBDRO CN(CCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000135261389 394214945 /nfs/dbraw/zinc/21/49/45/394214945.db2.gz OAZQBOIMBGXNLA-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO CC[C@H](C)N(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118613 394219118 /nfs/dbraw/zinc/21/91/18/394219118.db2.gz TXWNDBSUBPCIIO-KGLIPLIRSA-N 1 0 293.411 2.846 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449130516 394222992 /nfs/dbraw/zinc/22/29/92/394222992.db2.gz GWFQFYFWVMZVIV-NSHDSACASA-N 1 0 290.319 2.917 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCOCC1 ZINC000449144773 394228675 /nfs/dbraw/zinc/22/86/75/394228675.db2.gz UHRUYGTUEHSTHJ-CYBMUJFWSA-N 1 0 292.379 2.932 20 5 CFBDRO CSCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159964 394235160 /nfs/dbraw/zinc/23/51/60/394235160.db2.gz JZWPCPLYFXZERJ-LLVKDONJSA-N 1 0 268.382 2.869 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cnn(C)c1 ZINC000449164657 394237408 /nfs/dbraw/zinc/23/74/08/394237408.db2.gz QIBAJTFQJCHWHX-RYUDHWBXSA-N 1 0 288.351 2.610 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449179212 394243628 /nfs/dbraw/zinc/24/36/28/394243628.db2.gz WAPARVXYIJBAKL-LLVKDONJSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449185689 394246480 /nfs/dbraw/zinc/24/64/80/394246480.db2.gz JLTRUSAMBLSCCN-UMVBOHGHSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]1CCOCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367700440 394260470 /nfs/dbraw/zinc/26/04/70/394260470.db2.gz BZVZUCQBHDTWSK-BPJJOFIESA-N 1 0 276.336 2.719 20 5 CFBDRO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304986 394277091 /nfs/dbraw/zinc/27/70/91/394277091.db2.gz ZUXHKFUKEHVJPB-YPMHNXCESA-N 1 0 265.357 2.763 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153587019 394286357 /nfs/dbraw/zinc/28/63/57/394286357.db2.gz ICOVQOLZVOISJN-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO Cc1cccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450548528 394294926 /nfs/dbraw/zinc/29/49/26/394294926.db2.gz SISFTQNCWBLXMU-LBPRGKRZSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1cc(N2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000171831380 394372469 /nfs/dbraw/zinc/37/24/69/394372469.db2.gz NJSBFPHCYDMHEU-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451292274 394374406 /nfs/dbraw/zinc/37/44/06/394374406.db2.gz SMUFTBZWXUFONX-CQSZACIVSA-N 1 0 280.372 2.692 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000453322222 394385477 /nfs/dbraw/zinc/38/54/77/394385477.db2.gz AEBBCVJICASQLV-LOWVWBTDSA-N 1 0 296.367 2.804 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453405656 394398590 /nfs/dbraw/zinc/39/85/90/394398590.db2.gz JTUXVLSQHGXTQM-BZPMIXESSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000540167890 394644423 /nfs/dbraw/zinc/64/44/23/394644423.db2.gz ARXHWAKNRXZLIT-LLVKDONJSA-N 1 0 276.292 2.917 20 5 CFBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000548487991 394935884 /nfs/dbraw/zinc/93/58/84/394935884.db2.gz KZWOXVNSXGWQIG-OLZOCXBDSA-N 1 0 280.372 2.740 20 5 CFBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000548487993 394936181 /nfs/dbraw/zinc/93/61/81/394936181.db2.gz KZWOXVNSXGWQIG-STQMWFEESA-N 1 0 280.372 2.740 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000555438206 394973848 /nfs/dbraw/zinc/97/38/48/394973848.db2.gz CKSLUARYJRNDPW-TZMCWYRMSA-N 1 0 291.395 2.896 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421009357 397571486 /nfs/dbraw/zinc/57/14/86/397571486.db2.gz PXWNIISELYPOFX-IUODEOHRSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000227033672 397623899 /nfs/dbraw/zinc/62/38/99/397623899.db2.gz OYHGDRURNKRVDU-GYSYKLTISA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000369958385 292130109 /nfs/dbraw/zinc/13/01/09/292130109.db2.gz LTNODEMKRODNCG-CYBMUJFWSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000374874122 292295425 /nfs/dbraw/zinc/29/54/25/292295425.db2.gz JSFBFKGPNOIPSR-DGCLKSJQSA-N 1 0 278.352 2.933 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190875019 292296392 /nfs/dbraw/zinc/29/63/92/292296392.db2.gz CUIVMXHOIBGEGM-AGIUHOORSA-N 1 0 278.352 2.524 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348258623 154383966 /nfs/dbraw/zinc/38/39/66/154383966.db2.gz XRLUNUQGLQCDIH-CZUORRHYSA-N 1 0 292.379 2.826 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000348274954 154389906 /nfs/dbraw/zinc/38/99/06/154389906.db2.gz MBDIUJIFUNQTKH-DZGCQCFKSA-N 1 0 280.368 2.900 20 5 CFBDRO COCCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000355487031 155021466 /nfs/dbraw/zinc/02/14/66/155021466.db2.gz QASJWCFWQGUWFE-UHFFFAOYSA-N 1 0 294.351 2.652 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000355775094 155082287 /nfs/dbraw/zinc/08/22/87/155082287.db2.gz HGZHGFZJENXVQQ-CMPLNLGQSA-N 1 0 282.315 2.639 20 5 CFBDRO COCCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044656608 292322185 /nfs/dbraw/zinc/32/21/85/292322185.db2.gz SIARKGKLWHLILO-LBPRGKRZSA-N 1 0 266.341 2.980 20 5 CFBDRO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000360211576 156052182 /nfs/dbraw/zinc/05/21/82/156052182.db2.gz FJKLXHVNKGWAMW-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367439408 156333159 /nfs/dbraw/zinc/33/31/59/156333159.db2.gz UJCTYLCWSOMWRA-MRXNPFEDSA-N 1 0 290.363 2.906 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000374133936 157072399 /nfs/dbraw/zinc/07/23/99/157072399.db2.gz YBTIXTDBWJSXDZ-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCOCC23CCCC3)cc1F ZINC000374863397 157165901 /nfs/dbraw/zinc/16/59/01/157165901.db2.gz OGXNCMIGDVFQDY-UHFFFAOYSA-N 1 0 294.326 2.879 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000375143360 157201708 /nfs/dbraw/zinc/20/17/08/157201708.db2.gz QLTPTAIRWBNCIY-HZPDHXFCSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375305616 157224462 /nfs/dbraw/zinc/22/44/62/157224462.db2.gz XIWKNMAQYHKMBI-OAHLLOKOSA-N 1 0 276.336 2.597 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342405819 161622730 /nfs/dbraw/zinc/62/27/30/161622730.db2.gz JLGQIRORUFOXGD-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000344284253 161995823 /nfs/dbraw/zinc/99/58/23/161995823.db2.gz CFCBNDSUBRQHLA-LSDHHAIUSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344430344 162042480 /nfs/dbraw/zinc/04/24/80/162042480.db2.gz JROLOXXITBNZMC-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO Cn1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000344605325 162078091 /nfs/dbraw/zinc/07/80/91/162078091.db2.gz SFXVHZBRTWMYCR-XQRVVYSFSA-N 1 0 271.320 2.736 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C(C)C ZINC000344790476 162121897 /nfs/dbraw/zinc/12/18/97/162121897.db2.gz JCTIJBVGQNQNSX-XCHKQJEOSA-N 1 0 278.352 2.605 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C[C@@H](C)O ZINC000344798088 162125270 /nfs/dbraw/zinc/12/52/70/162125270.db2.gz XQPNTXQZLNMVFC-ZMCCTTKHSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H](C)CO ZINC000344830326 162130343 /nfs/dbraw/zinc/13/03/43/162130343.db2.gz LSJXOIBVPKWWIA-FYQHACEVSA-N 1 0 292.379 2.996 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCO1 ZINC000344843122 162131674 /nfs/dbraw/zinc/13/16/74/162131674.db2.gz FHOJLOSQLUGZMA-LDCOFTPGSA-N 1 0 276.336 2.767 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C(C)C ZINC000344882999 162140493 /nfs/dbraw/zinc/14/04/93/162140493.db2.gz RZTADDYXVZKUBM-RCBBPTIPSA-N 1 0 292.379 2.995 20 5 CFBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000344965906 162155367 /nfs/dbraw/zinc/15/53/67/162155367.db2.gz HVNPRXLUIFNJSR-CMPLNLGQSA-N 1 0 252.339 2.578 20 5 CFBDRO Cc1ccc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000347010057 162582978 /nfs/dbraw/zinc/58/29/78/162582978.db2.gz SZPIEBIKQYEQBL-TZMCWYRMSA-N 1 0 277.368 2.605 20 5 CFBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350292841 163069352 /nfs/dbraw/zinc/06/93/52/163069352.db2.gz ZWSFWVPRJZPZEB-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO COCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350284729 163069388 /nfs/dbraw/zinc/06/93/88/163069388.db2.gz BUXBFOINMQIMJI-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc[nH]c1 ZINC000350312434 163072721 /nfs/dbraw/zinc/07/27/21/163072721.db2.gz QQAUDUBLYZDEEF-UHFFFAOYSA-N 1 0 279.727 2.909 20 5 CFBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765464 163190599 /nfs/dbraw/zinc/19/05/99/163190599.db2.gz BMFUCFAYJHXNDG-MFKMUULPSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000352795778 163236746 /nfs/dbraw/zinc/23/67/46/163236746.db2.gz FJFOBWWJNIZISB-LDYMZIIASA-N 1 0 270.329 2.575 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352800284 163238496 /nfs/dbraw/zinc/23/84/96/163238496.db2.gz HMRWLVRNQMCQTP-KRTXAFLBSA-N 1 0 288.319 2.714 20 5 CFBDRO CCC[C@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000352833625 163247016 /nfs/dbraw/zinc/24/70/16/163247016.db2.gz SQSDLHORKLYNMS-AWEZNQCLSA-N 1 0 282.315 2.783 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353014250 163286156 /nfs/dbraw/zinc/28/61/56/163286156.db2.gz CQJTWWOUYYKYBL-CBHWHFHUSA-N 1 0 278.377 2.949 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000353037708 163293180 /nfs/dbraw/zinc/29/31/80/163293180.db2.gz KUBSNUUKYTWCKA-TZMCWYRMSA-N 1 0 278.352 2.665 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)C1CC1 ZINC000353062512 163300604 /nfs/dbraw/zinc/30/06/04/163300604.db2.gz QRFPELRBPUIRCC-XCHKQJEOSA-N 1 0 290.363 2.606 20 5 CFBDRO C[C@H]1CC[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353458322 163370746 /nfs/dbraw/zinc/37/07/46/163370746.db2.gz BOMQWDCNCIEYGR-VSKVDJIOSA-N 1 0 289.379 2.634 20 5 CFBDRO CC(C)COCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020147344 171033603 /nfs/dbraw/zinc/03/36/03/171033603.db2.gz AFXOFTWNFLAWKW-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO C[C@H]([NH2+]CCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000020360738 171159349 /nfs/dbraw/zinc/15/93/49/171159349.db2.gz HYBPVBVFMUXYMU-LBPRGKRZSA-N 1 0 274.324 2.532 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000284701654 196115547 /nfs/dbraw/zinc/11/55/47/196115547.db2.gz ICUIORNUFRUKEA-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000021821776 171334592 /nfs/dbraw/zinc/33/45/92/171334592.db2.gz QCIMHMBDLOOSAF-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284952593 196163558 /nfs/dbraw/zinc/16/35/58/196163558.db2.gz FEUXZTUDUIMVCH-NSHDSACASA-N 1 0 295.383 2.626 20 5 CFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285051128 196186726 /nfs/dbraw/zinc/18/67/26/196186726.db2.gz ILKKMRSKXBTJDL-QWRGUYRKSA-N 1 0 295.383 2.625 20 5 CFBDRO CC(C)[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000035247164 172078155 /nfs/dbraw/zinc/07/81/55/172078155.db2.gz QOVPOKKYOCGPMV-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO C[NH+](C)C(C)(C)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368184 172159859 /nfs/dbraw/zinc/15/98/59/172159859.db2.gz HVMPYTVYFBIECW-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285154414 196209038 /nfs/dbraw/zinc/20/90/38/196209038.db2.gz MJLGUDFYJWOIAE-ONGXEEELSA-N 1 0 283.397 2.969 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000035694728 172363764 /nfs/dbraw/zinc/36/37/64/172363764.db2.gz PGENUAHCEBDKEN-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO CN(CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCC[N@@H+]1C ZINC000285399540 196272026 /nfs/dbraw/zinc/27/20/26/196272026.db2.gz TVXXNGXQCBHFQF-HNNXBMFYSA-N 1 0 291.395 2.553 20 5 CFBDRO CCC[C@@]1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000285408682 196275997 /nfs/dbraw/zinc/27/59/97/196275997.db2.gz FTGTVSDHPXPJGF-OAHLLOKOSA-N 1 0 278.352 2.952 20 5 CFBDRO CCC[C@H]([NH2+]C[C@@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087859 174100684 /nfs/dbraw/zinc/10/06/84/174100684.db2.gz ASXPUHCOQUZHOP-DOMZBBRYSA-N 1 0 279.384 2.976 20 5 CFBDRO Cc1csc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000038091458 174105081 /nfs/dbraw/zinc/10/50/81/174105081.db2.gz RSLCQZHHRUZWDC-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CCCCOCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000040506990 174303144 /nfs/dbraw/zinc/30/31/44/174303144.db2.gz WXUGRXCYGAZIJU-UHFFFAOYSA-N 1 0 258.343 2.563 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000040775376 174402431 /nfs/dbraw/zinc/40/24/31/174402431.db2.gz YFEBEARGEZAOPN-LLVKDONJSA-N 1 0 286.759 2.745 20 5 CFBDRO Cc1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000040997720 174447789 /nfs/dbraw/zinc/44/77/89/174447789.db2.gz KCSMOXMAHBNGBX-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814544 174885602 /nfs/dbraw/zinc/88/56/02/174885602.db2.gz NOQKXCYTTFNDBY-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000044537751 175200221 /nfs/dbraw/zinc/20/02/21/175200221.db2.gz LWIFOFMZMXZWKQ-GFCCVEGCSA-N 1 0 263.341 2.657 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044685825 175231418 /nfs/dbraw/zinc/23/14/18/175231418.db2.gz IOEMCKOFLSLEKI-NSHDSACASA-N 1 0 295.770 2.575 20 5 CFBDRO CCC[C@@H]([NH2+]CCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044693975 175235019 /nfs/dbraw/zinc/23/50/19/175235019.db2.gz YAZPUECMMZTWMV-OAHLLOKOSA-N 1 0 296.367 2.689 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]([NH3+])C(C)C)no1 ZINC000044747978 175243706 /nfs/dbraw/zinc/24/37/06/175243706.db2.gz MDRPKOPOEXBCDZ-LLVKDONJSA-N 1 0 276.296 2.609 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045036477 175294252 /nfs/dbraw/zinc/29/42/52/175294252.db2.gz OOSPSSJDHMNUNV-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000049558660 175487978 /nfs/dbraw/zinc/48/79/78/175487978.db2.gz KQSHTNIRVWPYGG-LLVKDONJSA-N 1 0 288.351 2.895 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000052926253 175540809 /nfs/dbraw/zinc/54/08/09/175540809.db2.gz VZZUQDFQAFVOAK-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000418107176 227328080 /nfs/dbraw/zinc/32/80/80/227328080.db2.gz YNWVJWNURGGYGV-CYBMUJFWSA-N 1 0 284.331 2.885 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517756898 260189051 /nfs/dbraw/zinc/18/90/51/260189051.db2.gz LJAHRGOUJNKDOD-KWBADKCTSA-N 1 0 264.325 2.595 20 5 CFBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000313174265 260256008 /nfs/dbraw/zinc/25/60/08/260256008.db2.gz XYSMCODHXLLAAF-BPNCWPANSA-N 1 0 266.341 2.795 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000313333421 260285108 /nfs/dbraw/zinc/28/51/08/260285108.db2.gz WAYJYKVSKYQRHL-KRWDZBQOSA-N 1 0 297.358 2.741 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000518945981 265238337 /nfs/dbraw/zinc/23/83/37/265238337.db2.gz YCAFFVPOYRFQCD-LBPRGKRZSA-N 1 0 293.342 2.560 20 5 CFBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000192828822 270234493 /nfs/dbraw/zinc/23/44/93/270234493.db2.gz PSBNFXJXQPLAHW-UHFFFAOYSA-N 1 0 291.351 2.634 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000342706946 270302587 /nfs/dbraw/zinc/30/25/87/270302587.db2.gz HZDQXSBUEXWFAD-YWPYICTPSA-N 1 0 277.368 2.728 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000516862906 270389182 /nfs/dbraw/zinc/38/91/82/270389182.db2.gz OJDCHQMCZIMQFD-CQSZACIVSA-N 1 0 280.368 2.790 20 5 CFBDRO CC1(C)C[C@@H](N[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331884486 273587655 /nfs/dbraw/zinc/58/76/55/273587655.db2.gz CHUKHSBSDPZXKI-XHDPSFHLSA-N 1 0 289.379 2.659 20 5 CFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298674368 273601217 /nfs/dbraw/zinc/60/12/17/273601217.db2.gz KYWJEXFCUXQOFE-SNVBAGLBSA-N 1 0 279.340 2.700 20 5 CFBDRO COc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000343609328 274097656 /nfs/dbraw/zinc/09/76/56/274097656.db2.gz RSBDYFYEIKLGMW-MWLCHTKSSA-N 1 0 297.330 2.637 20 5 CFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000268189365 274344729 /nfs/dbraw/zinc/34/47/29/274344729.db2.gz VHROSFUQOUVXLY-PRHODGIISA-N 1 0 296.758 2.538 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000449159973 274498669 /nfs/dbraw/zinc/49/86/69/274498669.db2.gz KCMKDJXSOGGGCY-INWMFGNUSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000344395744 274653135 /nfs/dbraw/zinc/65/31/35/274653135.db2.gz RTQNFVIZFQNWIJ-CABCVRRESA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC2)CC1 ZINC000267072219 274723635 /nfs/dbraw/zinc/72/36/35/274723635.db2.gz QWMJIRLFLHQWST-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1cnc(NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000266207028 274826921 /nfs/dbraw/zinc/82/69/21/274826921.db2.gz LHYNPTBKPDCOBS-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO [NH3+]C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420132035 274943789 /nfs/dbraw/zinc/94/37/89/274943789.db2.gz ZHBZCUJYPOOKCD-UHFFFAOYSA-N 1 0 290.150 2.829 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301772162 275033791 /nfs/dbraw/zinc/03/37/91/275033791.db2.gz GBXCXUJQUMSZTE-SNVBAGLBSA-N 1 0 297.305 2.548 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCO1)CCC2 ZINC000192596022 275037962 /nfs/dbraw/zinc/03/79/62/275037962.db2.gz RPXIRHJMBPVNRH-HIFRSBDPSA-N 1 0 276.336 2.741 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCC1)CCCC2 ZINC000417306808 275038133 /nfs/dbraw/zinc/03/81/33/275038133.db2.gz GPOSKXVPQALOER-OAHLLOKOSA-N 1 0 290.363 2.867 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000411478902 275041655 /nfs/dbraw/zinc/04/16/55/275041655.db2.gz LBEOBJGDDDZPGW-WBVHZDCISA-N 1 0 295.342 2.904 20 5 CFBDRO CC(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521583 275582124 /nfs/dbraw/zinc/58/21/24/275582124.db2.gz WPLZHEDANLPGGK-NEPJUHHUSA-N 1 0 266.345 2.521 20 5 CFBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331042082 275707662 /nfs/dbraw/zinc/70/76/62/275707662.db2.gz CZHXCSMEZHFFII-VXGBXAGGSA-N 1 0 280.372 2.633 20 5 CFBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000265989905 276002080 /nfs/dbraw/zinc/00/20/80/276002080.db2.gz FPLTXOZBLWRYNH-UHFFFAOYSA-N 1 0 266.341 2.578 20 5 CFBDRO CC[NH+](CC)CCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526056 276097522 /nfs/dbraw/zinc/09/75/22/276097522.db2.gz BMWUCKDTPAKLIH-ZDUSSCGKSA-N 1 0 279.384 2.977 20 5 CFBDRO CCN(CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449112851 276131938 /nfs/dbraw/zinc/13/19/38/276131938.db2.gz TXIIBFHOEHOINU-CQSZACIVSA-N 1 0 293.411 2.846 20 5 CFBDRO CC1(C)C[C@@H](N[C@H](C[NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265456 276143485 /nfs/dbraw/zinc/14/34/85/276143485.db2.gz AVJQKMCHSOGDRX-HUUCEWRRSA-N 1 0 289.379 2.644 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(C)cccc1[N+](=O)[O-] ZINC000112208897 276175332 /nfs/dbraw/zinc/17/53/32/276175332.db2.gz XMHFNQPIXABPOR-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000346166008 276242042 /nfs/dbraw/zinc/24/20/42/276242042.db2.gz ARKYBXPSDICJLX-NWDGAFQWSA-N 1 0 295.358 2.648 20 5 CFBDRO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000266041467 276255819 /nfs/dbraw/zinc/25/58/19/276255819.db2.gz WGURHZCWPKQBOM-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO CC[NH2+]CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423253902 276266606 /nfs/dbraw/zinc/26/66/06/276266606.db2.gz ZWCQIEHUIFQNDW-CQSZACIVSA-N 1 0 277.368 2.516 20 5 CFBDRO CCOc1cccc(N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000302103022 276380635 /nfs/dbraw/zinc/38/06/35/276380635.db2.gz MABIVGZHLUHPCY-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO CCOc1cccc(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000273138742 276381098 /nfs/dbraw/zinc/38/10/98/276381098.db2.gz DLTALOKVJSAIRU-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000081096879 276399214 /nfs/dbraw/zinc/39/92/14/276399214.db2.gz TXXQCUNHTCPDPG-HIFRSBDPSA-N 1 0 291.395 2.757 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000268818313 277084860 /nfs/dbraw/zinc/08/48/60/277084860.db2.gz JCEOAYDMKZSYKS-QWHCGFSZSA-N 1 0 275.352 2.515 20 5 CFBDRO CC(C)(C)[NH2+]CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414677808 277172265 /nfs/dbraw/zinc/17/22/65/277172265.db2.gz PJMJJBGOUQSWCT-UHFFFAOYSA-N 1 0 291.395 2.947 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000352611078 277276260 /nfs/dbraw/zinc/27/62/60/277276260.db2.gz CDXHNWQFGHFRFW-NSHDSACASA-N 1 0 284.331 2.979 20 5 CFBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246128244 277285535 /nfs/dbraw/zinc/28/55/35/277285535.db2.gz OOFFSOVFFSDWSI-BXUZGUMPSA-N 1 0 264.325 2.767 20 5 CFBDRO COCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279169517 277499198 /nfs/dbraw/zinc/49/91/98/277499198.db2.gz UPLLMVRVHHPCGZ-AWEZNQCLSA-N 1 0 278.352 2.943 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193337428 277625895 /nfs/dbraw/zinc/62/58/95/277625895.db2.gz HCSSUMFAAFQROG-PGUXBMHVSA-N 1 0 278.352 2.985 20 5 CFBDRO CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000298695390 288022658 /nfs/dbraw/zinc/02/26/58/288022658.db2.gz VHGVHYULMBVZLY-KBPBESRZSA-N 1 0 293.367 2.502 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000453359036 278350563 /nfs/dbraw/zinc/35/05/63/278350563.db2.gz JIXNHJDEADKHIQ-OSAQELSMSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCC[C@H]1C ZINC000444672557 279233829 /nfs/dbraw/zinc/23/38/29/279233829.db2.gz HDFXKGZZFDGVII-NEPJUHHUSA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CCC1 ZINC000449304582 279382946 /nfs/dbraw/zinc/38/29/46/279382946.db2.gz ZKEPVZFLFKDZPS-DOMZBBRYSA-N 1 0 292.379 2.667 20 5 CFBDRO CC(C)[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487046739 280016270 /nfs/dbraw/zinc/01/62/70/280016270.db2.gz NGSPYABNZPGCOR-AWEZNQCLSA-N 1 0 281.331 2.510 20 5 CFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000149600085 280067672 /nfs/dbraw/zinc/06/76/72/280067672.db2.gz MAFHNOPTBDUCTP-LDYMZIIASA-N 1 0 270.716 2.515 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000085979715 280553851 /nfs/dbraw/zinc/55/38/51/280553851.db2.gz JIXNHJDEADKHIQ-KYOSRNDESA-N 1 0 278.352 2.797 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086696848 280555373 /nfs/dbraw/zinc/55/53/73/280555373.db2.gz VLZWPIUZNDLLQT-RISCZKNCSA-N 1 0 266.341 2.916 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118953770 280604964 /nfs/dbraw/zinc/60/49/64/280604964.db2.gz ATMJVAILSNCQBX-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO COC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000119804548 280610477 /nfs/dbraw/zinc/61/04/77/280610477.db2.gz IVJXMCRXCHEBFJ-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1cccn1 ZINC000127058449 280659628 /nfs/dbraw/zinc/65/96/28/280659628.db2.gz XHWFXKKWSMAFGT-ZDUSSCGKSA-N 1 0 288.351 2.841 20 5 CFBDRO CCN(CCC[NH+](C)C)c1cc(C)ccc1[N+](=O)[O-] ZINC000190289422 280886445 /nfs/dbraw/zinc/88/64/45/280886445.db2.gz IDVKSGYOHZHLOL-UHFFFAOYSA-N 1 0 265.357 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000268036109 281012895 /nfs/dbraw/zinc/01/28/95/281012895.db2.gz MGLRJIAVTKUQNI-AWEZNQCLSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000268036110 281013684 /nfs/dbraw/zinc/01/36/84/281013684.db2.gz MGLRJIAVTKUQNI-CQSZACIVSA-N 1 0 289.379 2.825 20 5 CFBDRO CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247746590 281016248 /nfs/dbraw/zinc/01/62/48/281016248.db2.gz YGLDTJBKYBHGOL-NWDGAFQWSA-N 1 0 293.367 2.900 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248726408 281032478 /nfs/dbraw/zinc/03/24/78/281032478.db2.gz DLDNQNFVRBDUKO-MPKXVKKWSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(=O)c1ccc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290600292 281135972 /nfs/dbraw/zinc/13/59/72/281135972.db2.gz DTGLSCORQWYTKC-LLVKDONJSA-N 1 0 293.367 2.938 20 5 CFBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000396658047 281197011 /nfs/dbraw/zinc/19/70/11/281197011.db2.gz NPEDOJSHCOGOMG-JTQLQIEISA-N 1 0 284.743 2.905 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000397797029 281202384 /nfs/dbraw/zinc/20/23/84/281202384.db2.gz KELHFXCTQUYOPQ-MWLCHTKSSA-N 1 0 282.365 2.587 20 5 CFBDRO Cc1c([C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424372846 281227611 /nfs/dbraw/zinc/22/76/11/281227611.db2.gz IRDVKFNRARXOOG-MRVWCRGKSA-N 1 0 277.368 2.824 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(C)(C)C1 ZINC000430237768 281232609 /nfs/dbraw/zinc/23/26/09/281232609.db2.gz PQZKDRZQQVATBO-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420277611 281261374 /nfs/dbraw/zinc/26/13/74/281261374.db2.gz INVOGARULGOKDR-VXGBXAGGSA-N 1 0 263.341 2.833 20 5 CFBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539086781 281566105 /nfs/dbraw/zinc/56/61/05/281566105.db2.gz LVMIHYNJNVOFMI-OLZOCXBDSA-N 1 0 296.367 2.605 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000544371462 281664645 /nfs/dbraw/zinc/66/46/45/281664645.db2.gz NXPNMZBITOCGQO-UHFFFAOYSA-N 1 0 270.716 2.517 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000545310273 281685932 /nfs/dbraw/zinc/68/59/32/281685932.db2.gz ZCQPKLKQUZWSNB-QITAHTHBSA-N 1 0 278.352 2.881 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000562059949 282065847 /nfs/dbraw/zinc/06/58/47/282065847.db2.gz RROGMHDKOIEFGF-OLZOCXBDSA-N 1 0 280.368 2.818 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286005986 290029761 /nfs/dbraw/zinc/02/97/61/290029761.db2.gz PCVGLLDJRIIGFQ-OUJBWJOFSA-N 1 0 266.366 2.997 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000562535309 290052533 /nfs/dbraw/zinc/05/25/33/290052533.db2.gz GFEKFXRQJBZTGE-PFYGFVOHSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000266786813 290061844 /nfs/dbraw/zinc/06/18/44/290061844.db2.gz OINLXPCLXNLMLL-KCTSRDHCSA-N 1 0 298.342 2.904 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000563122204 290105809 /nfs/dbraw/zinc/10/58/09/290105809.db2.gz LHTWGKGUQCIPJG-IMDQPDPASA-N 1 0 276.336 2.765 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000565046325 290262610 /nfs/dbraw/zinc/26/26/10/290262610.db2.gz CITNVDPQBJJRIF-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1cccc(OCCSCC2CC[NH2+]CC2)c1 ZINC000565301187 290293052 /nfs/dbraw/zinc/29/30/52/290293052.db2.gz NONKKLJBMBMTEW-UHFFFAOYSA-N 1 0 296.392 2.706 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000565726653 290320346 /nfs/dbraw/zinc/32/03/46/290320346.db2.gz VYGXOQLOMMQJRM-ZOWXZIJZSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565842963 290329940 /nfs/dbraw/zinc/32/99/40/290329940.db2.gz JKYHSDDNKKNZFS-BXKDBHETSA-N 1 0 252.289 2.920 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242812 290361439 /nfs/dbraw/zinc/36/14/39/290361439.db2.gz KZOYDHSLVQJJRM-BBRMVZONSA-N 1 0 289.379 2.731 20 5 CFBDRO CC[NH+](CC)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567405937 290461600 /nfs/dbraw/zinc/46/16/00/290461600.db2.gz AUHJLVRDDIWEJZ-HNNXBMFYSA-N 1 0 291.395 2.904 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290292990 294319461 /nfs/dbraw/zinc/31/94/61/294319461.db2.gz YDTMLKWXRKLSNV-OUAUKWLOSA-N 1 0 252.314 2.669 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301117015 304807730 /nfs/dbraw/zinc/80/77/30/304807730.db2.gz UVASIAUJHCLPPD-ZDUSSCGKSA-N 1 0 275.352 2.659 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H](O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000572834976 322633637 /nfs/dbraw/zinc/63/36/37/322633637.db2.gz KAYVXZVJDIBLHU-MRXNPFEDSA-N 1 0 292.379 2.934 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000181114332 323800395 /nfs/dbraw/zinc/80/03/95/323800395.db2.gz QBTWCGZCVCVAOD-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182303933 323855673 /nfs/dbraw/zinc/85/56/73/323855673.db2.gz TYUSHURPLZQUHD-GXTWGEPZSA-N 1 0 264.325 2.642 20 5 CFBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388200491 324500405 /nfs/dbraw/zinc/50/04/05/324500405.db2.gz AIHPPXVZSIRHIU-XHDPSFHLSA-N 1 0 278.352 2.806 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000576595725 324635527 /nfs/dbraw/zinc/63/55/27/324635527.db2.gz PEWGADPTSNZQIS-ZDUSSCGKSA-N 1 0 291.351 2.702 20 5 CFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577528912 324749821 /nfs/dbraw/zinc/74/98/21/324749821.db2.gz KRYPEUDUFGPNME-VNQPRFMTSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000580725652 325059651 /nfs/dbraw/zinc/05/96/51/325059651.db2.gz VWWMDDUGMZWUPK-DFBGVHRSSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H](O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000580929058 325075219 /nfs/dbraw/zinc/07/52/19/325075219.db2.gz LSEDDCAWAFZXTK-YDHLFZDLSA-N 1 0 292.379 2.667 20 5 CFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000581559537 325133196 /nfs/dbraw/zinc/13/31/96/325133196.db2.gz CGBPQRLOQKRTDR-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000581588418 325134315 /nfs/dbraw/zinc/13/43/15/325134315.db2.gz XSFDUCTVOWQLBI-IMRBUKKESA-N 1 0 278.352 2.683 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000582115270 325177088 /nfs/dbraw/zinc/17/70/88/325177088.db2.gz GUCKYNGRUCYFPA-YPMHNXCESA-N 1 0 279.384 2.752 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000582346220 325197203 /nfs/dbraw/zinc/19/72/03/325197203.db2.gz NNXHHDFCBMPXHQ-UHFFFAOYSA-N 1 0 297.358 2.811 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000582586681 325216595 /nfs/dbraw/zinc/21/65/95/325216595.db2.gz KNUFDNFSWPGNGK-PJXYFTJBSA-N 1 0 264.325 2.640 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cn(C)cn1 ZINC000582892510 325243567 /nfs/dbraw/zinc/24/35/67/325243567.db2.gz NUDCSLPZWKKIDR-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156406506 519687739 /nfs/dbraw/zinc/68/77/39/519687739.db2.gz NOPZPLRUIYLNAO-SNVBAGLBSA-N 1 0 267.304 2.629 20 5 CFBDRO CC(C)c1ccc(C[NH+]2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000305724759 519835843 /nfs/dbraw/zinc/83/58/43/519835843.db2.gz FVXGDDMTTFYDKI-UHFFFAOYSA-N 1 0 292.379 2.923 20 5 CFBDRO CCC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000049555396 519846762 /nfs/dbraw/zinc/84/67/62/519846762.db2.gz VAOTUSAPGLEOOS-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000172170245 520358534 /nfs/dbraw/zinc/35/85/34/520358534.db2.gz YIWDRUCGOJLVTI-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)COC)cc1[N+](=O)[O-] ZINC000152512328 521227015 /nfs/dbraw/zinc/22/70/15/521227015.db2.gz ZYVDSOQJHJYLAS-GHMZBOCLSA-N 1 0 282.340 2.679 20 5 CFBDRO [NH3+]C1(CNCc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000414862199 534549046 /nfs/dbraw/zinc/54/90/46/534549046.db2.gz VEZJGHYYRVCDGW-UHFFFAOYSA-N 1 0 277.368 2.736 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338668673 521596309 /nfs/dbraw/zinc/59/63/09/521596309.db2.gz RSEUSMVYABGAGV-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218840706 521626546 /nfs/dbraw/zinc/62/65/46/521626546.db2.gz XPNFGSZMBMOTPA-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000313131045 521640623 /nfs/dbraw/zinc/64/06/23/521640623.db2.gz QGJHEULZUKHYCF-LLVKDONJSA-N 1 0 281.331 2.939 20 5 CFBDRO CCC[NH+](CCC)CCCNc1ncccc1[N+](=O)[O-] ZINC000076270253 521646525 /nfs/dbraw/zinc/64/65/25/521646525.db2.gz DEMZZQHYVHYIRH-UHFFFAOYSA-N 1 0 280.372 2.914 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245428295 521713322 /nfs/dbraw/zinc/71/33/22/521713322.db2.gz MLRAUKWBLTUSEO-WCQYABFASA-N 1 0 297.424 2.818 20 5 CFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000072926295 521766786 /nfs/dbraw/zinc/76/67/86/521766786.db2.gz RNISOGSICLXKIC-DZGCQCFKSA-N 1 0 278.352 2.888 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249736305 521940952 /nfs/dbraw/zinc/94/09/52/521940952.db2.gz FIXVGTLPNMQKKE-SDDRHHMPSA-N 1 0 293.367 2.946 20 5 CFBDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000218072879 522046516 /nfs/dbraw/zinc/04/65/16/522046516.db2.gz GSTNXFALBACUSM-STQMWFEESA-N 1 0 277.368 2.587 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000220302973 522059111 /nfs/dbraw/zinc/05/91/11/522059111.db2.gz SIEBEUOLVTWQHF-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO COC1CC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000230673099 522666680 /nfs/dbraw/zinc/66/66/80/522666680.db2.gz SKKLWICOSPZMCC-PKSQDBQZSA-N 1 0 264.325 2.731 20 5 CFBDRO CC[C@H](N[C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553780 522732259 /nfs/dbraw/zinc/73/22/59/522732259.db2.gz SQGNKSXFXSSMNP-DOMZBBRYSA-N 1 0 279.384 2.976 20 5 CFBDRO C[N@H+](CCCCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227119685 522732617 /nfs/dbraw/zinc/73/26/17/522732617.db2.gz QRBKHOMVQVNXAI-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000086700766 522753800 /nfs/dbraw/zinc/75/38/00/522753800.db2.gz WMTRCJGPMANTCZ-ZDUSSCGKSA-N 1 0 266.341 2.664 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000338572782 522774815 /nfs/dbraw/zinc/77/48/15/522774815.db2.gz REUZVVIPYQBSDN-LLVKDONJSA-N 1 0 294.351 2.835 20 5 CFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000065536517 522911191 /nfs/dbraw/zinc/91/11/91/522911191.db2.gz FSAUHNPYPPPKKY-UHFFFAOYSA-N 1 0 292.257 2.858 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361420313 522975269 /nfs/dbraw/zinc/97/52/69/522975269.db2.gz NBMZBFMRSDIEIP-CQSZACIVSA-N 1 0 294.351 2.603 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000360997858 523146145 /nfs/dbraw/zinc/14/61/45/523146145.db2.gz XONBRADCJJXLEC-SNVBAGLBSA-N 1 0 297.403 2.508 20 5 CFBDRO COCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350845 523264931 /nfs/dbraw/zinc/26/49/31/523264931.db2.gz XXYRZIYMMXVVAI-UHFFFAOYSA-N 1 0 266.341 2.842 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](CC(C)C)[NH+](C)C ZINC000195344122 523668264 /nfs/dbraw/zinc/66/82/64/523668264.db2.gz WULADFPRNSJYRP-GFCCVEGCSA-N 1 0 297.403 2.508 20 5 CFBDRO C[N@@H+]1CC[C@@H](CSCc2ccc([N+](=O)[O-])cc2)C1 ZINC000191209547 523962057 /nfs/dbraw/zinc/96/20/57/523962057.db2.gz CTZDJVMGWQQLKX-GFCCVEGCSA-N 1 0 266.366 2.780 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000300663698 524021208 /nfs/dbraw/zinc/02/12/08/524021208.db2.gz ZCPWYRORSBBUHI-KBPBESRZSA-N 1 0 278.352 2.806 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000226257096 524071783 /nfs/dbraw/zinc/07/17/83/524071783.db2.gz SPQDZLXMGUZOKL-NSHDSACASA-N 1 0 264.325 2.739 20 5 CFBDRO Cc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000230155522 524612778 /nfs/dbraw/zinc/61/27/78/524612778.db2.gz PAXHALWTRDPNOK-SMDDNHRTSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000310874458 524620669 /nfs/dbraw/zinc/62/06/69/524620669.db2.gz UDMJJIOJPQXRDO-AOOOYVTPSA-N 1 0 252.289 2.822 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000230061487 525362933 /nfs/dbraw/zinc/36/29/33/525362933.db2.gz QSUPDHJUCJMGMA-RYUDHWBXSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000312632079 525609199 /nfs/dbraw/zinc/60/91/99/525609199.db2.gz QUDGWIPRDIBXNS-SCRDCRAPSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccnc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000366540729 525690664 /nfs/dbraw/zinc/69/06/64/525690664.db2.gz OGWUMMBWDLFVDS-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO Cc1c(CN2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000170741378 525708756 /nfs/dbraw/zinc/70/87/56/525708756.db2.gz BITIGIFOVSGNRF-OAHLLOKOSA-N 1 0 289.379 2.573 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000166247095 525730120 /nfs/dbraw/zinc/73/01/20/525730120.db2.gz ZNEQDSOBUSWKJC-MLGOLLRUSA-N 1 0 291.395 2.894 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000305128812 525919883 /nfs/dbraw/zinc/91/98/83/525919883.db2.gz JGQOLIXWGAOTAC-WFASDCNBSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049553666 525940916 /nfs/dbraw/zinc/94/09/16/525940916.db2.gz STSSAUKYOCBMDB-OLZOCXBDSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)c1 ZINC000310882686 526062424 /nfs/dbraw/zinc/06/24/24/526062424.db2.gz RVYDWHCAZZYWIQ-NSHDSACASA-N 1 0 251.330 2.513 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347475 526078280 /nfs/dbraw/zinc/07/82/80/526078280.db2.gz BDYKDOSNQRJMID-ZDUSSCGKSA-N 1 0 289.379 2.826 20 5 CFBDRO O=[N+]([O-])c1cc(CNc2cc3c(c[nH+]2)CCCC3)cs1 ZINC000361231416 527329575 /nfs/dbraw/zinc/32/95/75/527329575.db2.gz XXJHTUPVVYEMME-UHFFFAOYSA-N 1 0 289.360 2.964 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159502218 527331605 /nfs/dbraw/zinc/33/16/05/527331605.db2.gz QIGGFRRCJCCCLK-UHTWSYAYSA-N 1 0 294.376 2.704 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000050443258 527332422 /nfs/dbraw/zinc/33/24/22/527332422.db2.gz RSHMWRJZQJVSOJ-NSHDSACASA-N 1 0 270.716 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCCC2)cc1 ZINC000070168717 527350175 /nfs/dbraw/zinc/35/01/75/527350175.db2.gz SFGLIWJODRFMRN-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c(Cl)c1 ZINC000187560689 527351241 /nfs/dbraw/zinc/35/12/41/527351241.db2.gz PQNJKKODSXFGOG-MRVWCRGKSA-N 1 0 296.754 2.905 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000154430094 527357427 /nfs/dbraw/zinc/35/74/27/527357427.db2.gz QKZJZAWXNUTYTQ-PXTSUWAFSA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000051889192 527372983 /nfs/dbraw/zinc/37/29/83/527372983.db2.gz DSMAWNJYYPYGNB-QMMMGPOBSA-N 1 0 290.241 2.602 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccccc2)c1 ZINC000048436415 527386306 /nfs/dbraw/zinc/38/63/06/527386306.db2.gz JGOJKACLTINYJU-UHFFFAOYSA-N 1 0 272.304 2.763 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2c1NCC2 ZINC000159403066 527400959 /nfs/dbraw/zinc/40/09/59/527400959.db2.gz UBNJUFWYXQFBGJ-UHFFFAOYSA-N 1 0 283.331 2.853 20 5 CFBDRO O[C@@H]1C[NH+](Cc2c3ccccc3cc3ccccc32)C[C@H]1O ZINC000278452419 527677452 /nfs/dbraw/zinc/67/74/52/527677452.db2.gz YDROAGUKWXWCFW-RTBURBONSA-N 1 0 293.366 2.530 20 5 CFBDRO COC[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544899 536521628 /nfs/dbraw/zinc/52/16/28/536521628.db2.gz GDQAKYSVDWCZSD-OCCSQVGLSA-N 1 0 278.352 2.809 20 5 CFBDRO CCC[C@H](NCC[NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000423253740 528221371 /nfs/dbraw/zinc/22/13/71/528221371.db2.gz ZNXZMNDOAYSQJM-AWEZNQCLSA-N 1 0 265.357 2.635 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256540 528309896 /nfs/dbraw/zinc/30/98/96/528309896.db2.gz BYEPKTOUDFKTPV-YPMHNXCESA-N 1 0 265.357 2.619 20 5 CFBDRO CC(C)C[C@@H](C[NH3+])N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423265339 528310246 /nfs/dbraw/zinc/31/02/46/528310246.db2.gz QUERPOLDCDTCNP-XJKSGUPXSA-N 1 0 291.395 2.935 20 5 CFBDRO CCN(CCC[NH+](C)C)c1c(C)cccc1[N+](=O)[O-] ZINC000425253780 528442250 /nfs/dbraw/zinc/44/22/50/528442250.db2.gz KDTXQCINQUKQMS-UHFFFAOYSA-N 1 0 265.357 2.681 20 5 CFBDRO CCOCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192687531 528781095 /nfs/dbraw/zinc/78/10/95/528781095.db2.gz UUCXVXNTGPCLAY-AWEZNQCLSA-N 1 0 264.325 2.598 20 5 CFBDRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423304983 528822072 /nfs/dbraw/zinc/82/20/72/528822072.db2.gz ZUXHKFUKEHVJPB-AAEUAGOBSA-N 1 0 265.357 2.763 20 5 CFBDRO CC(C)[N@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413105416 528823318 /nfs/dbraw/zinc/82/33/18/528823318.db2.gz IFHUVWNXMGQWOS-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000427869907 528980707 /nfs/dbraw/zinc/98/07/07/528980707.db2.gz DPAXMFXRJBXMJA-OLZOCXBDSA-N 1 0 280.368 2.931 20 5 CFBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC001155019791 782167960 /nfs/dbraw/zinc/16/79/60/782167960.db2.gz GIYUAFYODROIAE-UWVGGRQHSA-N 1 0 298.774 2.691 20 5 CFBDRO CC[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421384680 529328018 /nfs/dbraw/zinc/32/80/18/529328018.db2.gz PKOBPGJKHASQSZ-NEPJUHHUSA-N 1 0 293.367 2.948 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131861586 529332975 /nfs/dbraw/zinc/33/29/75/529332975.db2.gz XHUBWOPSINBJAD-DGCLKSJQSA-N 1 0 266.341 2.715 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000459639766 534929825 /nfs/dbraw/zinc/92/98/25/534929825.db2.gz WBXIPORXILIBGF-BETUJISGSA-N 1 0 264.325 2.640 20 5 CFBDRO CCCC[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000342175362 535225897 /nfs/dbraw/zinc/22/58/97/535225897.db2.gz ZJPXAUCPDXRABQ-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449756264 535755655 /nfs/dbraw/zinc/75/56/55/535755655.db2.gz PJXJSUXSZCYFIQ-ZIAGYGMSSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459772865 535945457 /nfs/dbraw/zinc/94/54/57/535945457.db2.gz JUTMAWFVXCGYBH-YPMHNXCESA-N 1 0 284.743 2.905 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000171842226 545498126 /nfs/dbraw/zinc/49/81/26/545498126.db2.gz MCILLLSIUOJHPN-VFADXPBXSA-N 1 0 278.352 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C)OCCCO1 ZINC000754120788 574074782 /nfs/dbraw/zinc/07/47/82/574074782.db2.gz CGCDHBISOJWCEC-LBPRGKRZSA-N 1 0 294.351 2.707 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCCCC3)c2)cc1 ZINC000728896250 574134917 /nfs/dbraw/zinc/13/49/17/574134917.db2.gz OQYAGXXUYJOZKE-UHFFFAOYSA-N 1 0 286.335 2.902 20 5 CFBDRO CCCC[N@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000732805886 574173248 /nfs/dbraw/zinc/17/32/48/574173248.db2.gz RYUHYNAUMXWLAP-UHFFFAOYSA-N 1 0 269.320 2.878 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCc3ccccc32)cc1 ZINC000748819259 574269553 /nfs/dbraw/zinc/26/95/53/574269553.db2.gz BWOZNWZFUGZMRD-UHFFFAOYSA-N 1 0 297.358 2.747 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881423 574272262 /nfs/dbraw/zinc/27/22/62/574272262.db2.gz BAAXAGXFLQERFM-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(F)c2)c1 ZINC000749668825 574304645 /nfs/dbraw/zinc/30/46/45/574304645.db2.gz AHQFTIHTXWUQSU-OAHLLOKOSA-N 1 0 290.294 2.557 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000749841176 574312021 /nfs/dbraw/zinc/31/20/21/574312021.db2.gz UWZBRILALBVBDK-LDYMZIIASA-N 1 0 292.257 2.823 20 5 CFBDRO CC1(C)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750051555 574322040 /nfs/dbraw/zinc/32/20/40/574322040.db2.gz JBLLYSRFPYSNBG-AWEZNQCLSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750079463 574323175 /nfs/dbraw/zinc/32/31/75/574323175.db2.gz VTYGLNZKDXIIJL-SWLSCSKDSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000742427782 574330065 /nfs/dbraw/zinc/33/00/65/574330065.db2.gz PDKSHCUYLOWTDQ-SECBINFHSA-N 1 0 284.747 2.539 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000891863078 617791413 /nfs/dbraw/zinc/79/14/13/617791413.db2.gz ULOVEZYERZMWBB-MNOVXSKESA-N 1 0 294.351 2.929 20 5 CFBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000934127799 617912800 /nfs/dbraw/zinc/91/28/00/617912800.db2.gz YZCKXTUPSVAQRZ-UONOGXRCSA-N 1 0 264.325 2.512 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1OCC1CC[NH2+]CC1 ZINC000051609535 618025773 /nfs/dbraw/zinc/02/57/73/618025773.db2.gz JPGRVBZPTYIZIW-UHFFFAOYSA-N 1 0 270.716 2.627 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1F ZINC000934386846 618027185 /nfs/dbraw/zinc/02/71/85/618027185.db2.gz SLTFSJAOGHYHSO-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000892403265 618228422 /nfs/dbraw/zinc/22/84/22/618228422.db2.gz KSEOVFWHQPKYOA-NSHDSACASA-N 1 0 280.324 2.539 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000895126432 618341679 /nfs/dbraw/zinc/34/16/79/618341679.db2.gz XACUJCHNIYDNHT-YUSALJHKSA-N 1 0 292.335 2.587 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000062351057 618376015 /nfs/dbraw/zinc/37/60/15/618376015.db2.gz NLJGKWHKDCJKBW-HNNXBMFYSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCCC[C@H]1CO ZINC000895151941 618398244 /nfs/dbraw/zinc/39/82/44/618398244.db2.gz OFAPQFDKIUYSRB-LYASGUKUSA-N 1 0 290.363 2.845 20 5 CFBDRO CN(CC[N@H+](C)C1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804621010 618423548 /nfs/dbraw/zinc/42/35/48/618423548.db2.gz DKEZWPZXGSKABY-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@H]1C[C@@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235738745 618428007 /nfs/dbraw/zinc/42/80/07/618428007.db2.gz FMMLVKFGXMXKCS-YUMQZZPRSA-N 1 0 287.722 2.940 20 5 CFBDRO Cc1c(C[NH2+]CC2(C)CCOCC2)cccc1[N+](=O)[O-] ZINC000235813920 618442742 /nfs/dbraw/zinc/44/27/42/618442742.db2.gz CNZWGPYCQZDRBT-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO C[C@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)[NH+](C)C ZINC000895295044 618514727 /nfs/dbraw/zinc/51/47/27/618514727.db2.gz ZDLKWDYPHWMOGH-SNVBAGLBSA-N 1 0 285.775 2.678 20 5 CFBDRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892608640 618652758 /nfs/dbraw/zinc/65/27/58/618652758.db2.gz RMXAXVJJJXNPAN-JQWIXIFHSA-N 1 0 299.168 2.858 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC000892968945 618786429 /nfs/dbraw/zinc/78/64/29/618786429.db2.gz OPKZPSQEXCEVKM-SNVBAGLBSA-N 1 0 294.351 2.977 20 5 CFBDRO CCc1onc(C)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000893070903 618819957 /nfs/dbraw/zinc/81/99/57/618819957.db2.gz YXPCBDQGGSQWRB-UHFFFAOYSA-N 1 0 289.335 2.786 20 5 CFBDRO COC/C(C)=C\C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000930594649 618881108 /nfs/dbraw/zinc/88/11/08/618881108.db2.gz NNJJFPWJWRLMBB-KGTBHZDVSA-N 1 0 264.325 2.838 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H](C)C2CCC2)c1[N+](=O)[O-] ZINC000893256435 618909677 /nfs/dbraw/zinc/90/96/77/618909677.db2.gz RYPCZFVHQXMBBM-SECBINFHSA-N 1 0 280.324 2.587 20 5 CFBDRO Cn1cnc(CCNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000313479861 618990632 /nfs/dbraw/zinc/99/06/32/618990632.db2.gz JFVVUEGDTWAJHW-UHFFFAOYSA-N 1 0 280.715 2.636 20 5 CFBDRO C[C@@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925730146 619031600 /nfs/dbraw/zinc/03/16/00/619031600.db2.gz NWVZRTIZEUTHRR-DDTOSNHZSA-N 1 0 275.352 2.515 20 5 CFBDRO C[NH2+]C[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633641 619041654 /nfs/dbraw/zinc/04/16/54/619041654.db2.gz DBVODDNVGYQAMF-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633643 619041677 /nfs/dbraw/zinc/04/16/77/619041677.db2.gz SCWZVRYASIJFEQ-MFKMUULPSA-N 1 0 297.786 2.950 20 5 CFBDRO COc1cccc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2(C)C)c1 ZINC000931688095 619087684 /nfs/dbraw/zinc/08/76/84/619087684.db2.gz CLOQODDXBQFPOF-CQSZACIVSA-N 1 0 278.352 2.540 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000893866565 619231320 /nfs/dbraw/zinc/23/13/20/619231320.db2.gz JGCFOYNLFKCYSV-ONGXEEELSA-N 1 0 280.324 2.587 20 5 CFBDRO CC[C@H](COC)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632950 619279873 /nfs/dbraw/zinc/27/98/73/619279873.db2.gz LMEKNNAHIXNZQB-LLVKDONJSA-N 1 0 272.732 2.763 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880186335 619419315 /nfs/dbraw/zinc/41/93/15/619419315.db2.gz BMTQKTSGRNOBIZ-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2(C(C)C)CC2)c1[N+](=O)[O-] ZINC000894625155 619432155 /nfs/dbraw/zinc/43/21/55/619432155.db2.gz BDZDROCXGGIKGL-UHFFFAOYSA-N 1 0 280.324 2.587 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(CC4CC4)CC3)C2)c1 ZINC000895531547 619548301 /nfs/dbraw/zinc/54/83/01/619548301.db2.gz NCQCKNRZTUIFCI-UHFFFAOYSA-N 1 0 290.367 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC3(COC3)CC2)cc1 ZINC000895695350 619587357 /nfs/dbraw/zinc/58/73/57/619587357.db2.gz VGZGRBGZIGDPDM-UHFFFAOYSA-N 1 0 290.363 2.686 20 5 CFBDRO C[C@@H]1[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1C ZINC000895739068 619593517 /nfs/dbraw/zinc/59/35/17/619593517.db2.gz AUGGPRBHLCQMGR-PSASIEDQSA-N 1 0 292.364 2.709 20 5 CFBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+]1C ZINC000895734533 619596406 /nfs/dbraw/zinc/59/64/06/619596406.db2.gz OJBOLIZGUHERRL-GXFFZTMASA-N 1 0 286.335 2.648 20 5 CFBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737645 619598030 /nfs/dbraw/zinc/59/80/30/619598030.db2.gz QKERWWCGTHVIMU-WPRPVWTQSA-N 1 0 299.758 2.761 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2CCC=CCC2)c1[N+](=O)[O-] ZINC000896069167 619665749 /nfs/dbraw/zinc/66/57/49/619665749.db2.gz ALHYAXDGORKIQC-UHFFFAOYSA-N 1 0 292.335 2.897 20 5 CFBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896400886 619729811 /nfs/dbraw/zinc/72/98/11/619729811.db2.gz IREIVALOTCBQSM-QPKOPYBWSA-N 1 0 260.337 2.771 20 5 CFBDRO C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000896584984 619767514 /nfs/dbraw/zinc/76/75/14/619767514.db2.gz RHBZMXVTESKUEU-AGLBCWCQSA-N 1 0 276.336 2.719 20 5 CFBDRO CC(C)[C@@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000798819607 620095418 /nfs/dbraw/zinc/09/54/18/620095418.db2.gz CEFBQBWKIVYJPT-RISCZKNCSA-N 1 0 294.351 2.785 20 5 CFBDRO C[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000897460832 620176583 /nfs/dbraw/zinc/17/65/83/620176583.db2.gz JJEDQGHIAULFJJ-LLVKDONJSA-N 1 0 287.319 2.589 20 5 CFBDRO CC[C@@H](COC)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465395 620177020 /nfs/dbraw/zinc/17/70/20/620177020.db2.gz VKTXNWJEEYXOFY-RYUDHWBXSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@@H](C[NH2+]CC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897463266 620177028 /nfs/dbraw/zinc/17/70/28/620177028.db2.gz DNBHDHSBEGCDRZ-STQMWFEESA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1nocc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464820 620177033 /nfs/dbraw/zinc/17/70/33/620177033.db2.gz PADIOHZQTCQESC-JTQLQIEISA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897465823 620177088 /nfs/dbraw/zinc/17/70/88/620177088.db2.gz ISGSUQPHOGBYQO-STQMWFEESA-N 1 0 278.352 2.857 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000897466041 620177432 /nfs/dbraw/zinc/17/74/32/620177432.db2.gz NAYIDEBLUKHINB-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H](C[NH2+]Cc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000897466042 620177468 /nfs/dbraw/zinc/17/74/68/620177468.db2.gz NAYIDEBLUKHINB-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccn1C)c1ccccc1[N+](=O)[O-] ZINC000897469768 620178800 /nfs/dbraw/zinc/17/88/00/620178800.db2.gz QESALTBTMXIHNA-GFCCVEGCSA-N 1 0 273.336 2.827 20 5 CFBDRO CC(C)[N@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000054111163 620218944 /nfs/dbraw/zinc/21/89/44/620218944.db2.gz XXGHGSFITNCGAA-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2CC=CC[C@H]2C)c1[N+](=O)[O-] ZINC000898224090 620358287 /nfs/dbraw/zinc/35/82/87/620358287.db2.gz NZHXSARTILDNNJ-ZYHUDNBSSA-N 1 0 292.335 2.753 20 5 CFBDRO Cc1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1C ZINC000926914094 620419945 /nfs/dbraw/zinc/41/99/45/620419945.db2.gz HDVSYPOKIUQZEC-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000900021604 620624221 /nfs/dbraw/zinc/62/42/21/620624221.db2.gz JWFVFTFIYQWFGL-LLVKDONJSA-N 1 0 291.351 2.690 20 5 CFBDRO CC[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902446005 621083581 /nfs/dbraw/zinc/08/35/81/621083581.db2.gz NQWVGWGAUSRYFX-ZIAGYGMSSA-N 1 0 277.368 2.634 20 5 CFBDRO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902472469 621084944 /nfs/dbraw/zinc/08/49/44/621084944.db2.gz AKFDOPBWERVNBS-UQOMUDLDSA-N 1 0 275.352 2.528 20 5 CFBDRO C[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902491271 621102937 /nfs/dbraw/zinc/10/29/37/621102937.db2.gz WPFKQEHHMWTHOE-OCCSQVGLSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@H](NC[C@@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000902491270 621103067 /nfs/dbraw/zinc/10/30/67/621103067.db2.gz WPFKQEHHMWTHOE-JSGCOSHPSA-N 1 0 277.368 2.778 20 5 CFBDRO C[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000902486823 621112167 /nfs/dbraw/zinc/11/21/67/621112167.db2.gz HGRXUPVPPSZYTF-OCCSQVGLSA-N 1 0 277.368 2.778 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](CO)CC(C)C)cc([N+](=O)[O-])c1 ZINC000903076180 621243758 /nfs/dbraw/zinc/24/37/58/621243758.db2.gz LCYKRPLDERMDOC-WCQYABFASA-N 1 0 296.367 2.661 20 5 CFBDRO COCCCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903069659 621249949 /nfs/dbraw/zinc/24/99/49/621249949.db2.gz YBFJODCPHGISBG-LLVKDONJSA-N 1 0 282.340 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H](OC)C(C)C)cc([N+](=O)[O-])c1 ZINC000903104467 621254344 /nfs/dbraw/zinc/25/43/44/621254344.db2.gz IPIIIEXUMUZSSI-NHYWBVRUSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCC2(O)CCC2)cc([N+](=O)[O-])c1 ZINC000903165729 621272425 /nfs/dbraw/zinc/27/24/25/621272425.db2.gz OAXAYPZDMWRALR-LLVKDONJSA-N 1 0 294.351 2.559 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CCC(C)(C)CO)cc([N+](=O)[O-])c1 ZINC000903178302 621275778 /nfs/dbraw/zinc/27/57/78/621275778.db2.gz WJVIPZHNEXWHJT-NSHDSACASA-N 1 0 296.367 2.663 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903179220 621276466 /nfs/dbraw/zinc/27/64/66/621276466.db2.gz OFOLOBFCJUAXGU-QWRGUYRKSA-N 1 0 296.367 2.804 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903219338 621291863 /nfs/dbraw/zinc/29/18/63/621291863.db2.gz IBSHGKMXNPMHTA-WZRBSPASSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903244775 621295802 /nfs/dbraw/zinc/29/58/02/621295802.db2.gz DDUOWQSSJJNWSN-FOCJUVANSA-N 1 0 292.379 2.959 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000903246154 621296256 /nfs/dbraw/zinc/29/62/56/621296256.db2.gz RMNGKGOPAADNRK-VXGBXAGGSA-N 1 0 280.368 2.695 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000903246202 621297787 /nfs/dbraw/zinc/29/77/87/621297787.db2.gz SENRUZUMDRCUKF-RYUDHWBXSA-N 1 0 288.351 2.783 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286831 621318416 /nfs/dbraw/zinc/31/84/16/621318416.db2.gz HWNLDXFPUMIJMN-GYSYKLTISA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1[N+](=O)[O-] ZINC000903287612 621319241 /nfs/dbraw/zinc/31/92/41/621319241.db2.gz FDNKRDXTBMJRKJ-HPTZYISWSA-N 1 0 288.347 2.730 20 5 CFBDRO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903394010 621352958 /nfs/dbraw/zinc/35/29/58/621352958.db2.gz XEROSOMIRASOCJ-VCTAVGKDSA-N 1 0 290.363 2.942 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000903396048 621353631 /nfs/dbraw/zinc/35/36/31/621353631.db2.gz PDGGIRLYKJTWLM-NTZNESFSSA-N 1 0 294.351 2.679 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000903440015 621376590 /nfs/dbraw/zinc/37/65/90/621376590.db2.gz JYFUTTHYBDWKDK-SSKCKEOISA-N 1 0 298.342 2.904 20 5 CFBDRO Cc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000903819143 621448107 /nfs/dbraw/zinc/44/81/07/621448107.db2.gz CVQOIBHCOCWASW-NVXWUHKLSA-N 1 0 297.358 2.618 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(OC[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000904798927 621650400 /nfs/dbraw/zinc/65/04/00/621650400.db2.gz KBXJYRPHQJHAQJ-AWEZNQCLSA-N 1 0 299.330 2.788 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000905166221 621717060 /nfs/dbraw/zinc/71/70/60/621717060.db2.gz OPUDFWUKVILFOJ-UHFFFAOYSA-N 1 0 270.332 2.762 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000905228160 621720010 /nfs/dbraw/zinc/72/00/10/621720010.db2.gz GNNFHVYDKZPYEI-UHFFFAOYSA-N 1 0 288.269 2.603 20 5 CFBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000905229176 621720442 /nfs/dbraw/zinc/72/04/42/621720442.db2.gz KCWFWJVXQKUYOY-VIFPVBQESA-N 1 0 276.258 2.675 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000905260152 621729428 /nfs/dbraw/zinc/72/94/28/621729428.db2.gz BKDGEKFLBIHEOH-UMSPYCQHSA-N 1 0 299.168 2.561 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000905286876 621737813 /nfs/dbraw/zinc/73/78/13/621737813.db2.gz SNFDOUMZSSCNCB-DGCLKSJQSA-N 1 0 268.744 2.842 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000905286878 621737967 /nfs/dbraw/zinc/73/79/67/621737967.db2.gz SNFDOUMZSSCNCB-YPMHNXCESA-N 1 0 268.744 2.842 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(Cl)c2)CCC1 ZINC000905404184 621759893 /nfs/dbraw/zinc/75/98/93/621759893.db2.gz IEZQAEXQIYCSDP-UHFFFAOYSA-N 1 0 268.744 2.628 20 5 CFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905851926 621888613 /nfs/dbraw/zinc/88/86/13/621888613.db2.gz DHQILTJENQVSNL-TUAOUCFPSA-N 1 0 293.367 2.549 20 5 CFBDRO CCCNC(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905853613 621889106 /nfs/dbraw/zinc/88/91/06/621889106.db2.gz UCEHWLGELYDAOE-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000250306626 623134856 /nfs/dbraw/zinc/13/48/56/623134856.db2.gz LGQPHLSLYMAWGT-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000172972853 623327396 /nfs/dbraw/zinc/32/73/96/623327396.db2.gz MWFDZMNNEYYKJT-TXEJJXNPSA-N 1 0 264.300 2.822 20 5 CFBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388407 623345122 /nfs/dbraw/zinc/34/51/22/623345122.db2.gz ZJBQFVPEWHSJDR-AAEUAGOBSA-N 1 0 266.345 2.649 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCC3)CC2)cc1 ZINC000173466328 623349394 /nfs/dbraw/zinc/34/93/94/623349394.db2.gz FBXZTDWTHAYYGP-UHFFFAOYSA-N 1 0 275.352 2.517 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000173901521 623372365 /nfs/dbraw/zinc/37/23/65/623372365.db2.gz BHIISJGMOYXQCV-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO CCC(CC)(CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884211 623373213 /nfs/dbraw/zinc/37/32/13/623373213.db2.gz YUZWTQUMBUYHSE-UHFFFAOYSA-N 1 0 280.368 2.792 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000914433260 623849401 /nfs/dbraw/zinc/84/94/01/623849401.db2.gz MPQUZGOEJQHBCU-OCCSQVGLSA-N 1 0 296.754 2.763 20 5 CFBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(C)CO ZINC000827698728 624069283 /nfs/dbraw/zinc/06/92/83/624069283.db2.gz BNCCJTOSGRBCDT-YGRLFVJLSA-N 1 0 298.770 2.699 20 5 CFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[NH2+]1 ZINC000232843054 624090264 /nfs/dbraw/zinc/09/02/64/624090264.db2.gz WUJCOBBQRYTHNJ-CQSZACIVSA-N 1 0 277.368 2.557 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827832088 624106367 /nfs/dbraw/zinc/10/63/67/624106367.db2.gz HQEMLTNNWVQGPO-KYZUINATSA-N 1 0 291.134 2.515 20 5 CFBDRO Cc1ccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000828259704 624215586 /nfs/dbraw/zinc/21/55/86/624215586.db2.gz QUHMVAKCGLDYOT-ZDUSSCGKSA-N 1 0 289.379 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(CSCC[NH+]2CCCC2)cc1 ZINC000918751214 624486776 /nfs/dbraw/zinc/48/67/76/624486776.db2.gz WLXKZJXSASEFBS-UHFFFAOYSA-N 1 0 266.366 2.924 20 5 CFBDRO C[C@@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000830071377 624615477 /nfs/dbraw/zinc/61/54/77/624615477.db2.gz SHIYNCYKRPJUHT-LLVKDONJSA-N 1 0 293.367 2.550 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921548012 625984278 /nfs/dbraw/zinc/98/42/78/625984278.db2.gz VTBDCKJOAHUQAK-NWANDNLSSA-N 1 0 290.363 2.890 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000922644232 626330485 /nfs/dbraw/zinc/33/04/85/626330485.db2.gz ZMLCJEUVHWMDJT-BXUZGUMPSA-N 1 0 278.352 2.843 20 5 CFBDRO CCC[C@@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000922825355 626371240 /nfs/dbraw/zinc/37/12/40/626371240.db2.gz OHWXVCMFFKUJKB-CQSZACIVSA-N 1 0 296.367 2.634 20 5 CFBDRO CCC[C@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922816521 626372061 /nfs/dbraw/zinc/37/20/61/626372061.db2.gz IBFSMBQVTLGDHT-ZDUSSCGKSA-N 1 0 266.341 2.544 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000839190515 626530576 /nfs/dbraw/zinc/53/05/76/626530576.db2.gz HFPWAQFPXYRJQE-KBPBESRZSA-N 1 0 294.326 2.781 20 5 CFBDRO C[NH+](C)C[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000749320507 626540658 /nfs/dbraw/zinc/54/06/58/626540658.db2.gz WNSNBXXTVGTGBB-JTQLQIEISA-N 1 0 299.321 2.651 20 5 CFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000757505274 626553951 /nfs/dbraw/zinc/55/39/51/626553951.db2.gz BNLKOFJIRULMRL-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000759919958 626701814 /nfs/dbraw/zinc/70/18/14/626701814.db2.gz AMHNYWISOYXDPC-SWLSCSKDSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@H+](CCC1CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000760880459 626780307 /nfs/dbraw/zinc/78/03/07/626780307.db2.gz KCAAGSIFGBIXEW-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO CCC[N@H+](CC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761291682 626821673 /nfs/dbraw/zinc/82/16/73/626821673.db2.gz VSYODPWRQPCUPE-UHFFFAOYSA-N 1 0 276.340 2.942 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1Cl ZINC000761521021 626842393 /nfs/dbraw/zinc/84/23/93/626842393.db2.gz SNPFRXQIJHFKLM-NSHDSACASA-N 1 0 295.770 2.575 20 5 CFBDRO CC[NH+](CC)CCOC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000763422633 626988046 /nfs/dbraw/zinc/98/80/46/626988046.db2.gz GOXVHWFTSJMSAV-GFCCVEGCSA-N 1 0 294.351 2.583 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000764768524 627092309 /nfs/dbraw/zinc/09/23/09/627092309.db2.gz KEVHPEFIORMFNI-ZIAGYGMSSA-N 1 0 290.319 2.962 20 5 CFBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000767381356 627246737 /nfs/dbraw/zinc/24/67/37/627246737.db2.gz CLCNCZDNRIFLDC-UHFFFAOYSA-N 1 0 290.319 2.973 20 5 CFBDRO C[C@@H]1C[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000851869910 634565847 /nfs/dbraw/zinc/56/58/47/634565847.db2.gz VDVGTWMBSCOKNJ-DGCLKSJQSA-N 1 0 276.336 2.520 20 5 CFBDRO CCC(N)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768523209 627349161 /nfs/dbraw/zinc/34/91/61/627349161.db2.gz YOQRHGOWOVSABH-UHFFFAOYSA-N 1 0 257.677 2.657 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768770273 627370469 /nfs/dbraw/zinc/37/04/69/627370469.db2.gz HLBSRYVHICTYHN-GHMZBOCLSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000851896619 634577810 /nfs/dbraw/zinc/57/78/10/634577810.db2.gz KRHDLGRLGITZOS-BXUZGUMPSA-N 1 0 294.351 2.787 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773011640 627768375 /nfs/dbraw/zinc/76/83/75/627768375.db2.gz IFIGXCYMDXRCPC-HUUCEWRRSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000774534783 627935807 /nfs/dbraw/zinc/93/58/07/627935807.db2.gz SWMQSTQJOYLLON-IUODEOHRSA-N 1 0 277.368 2.904 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273906 628124951 /nfs/dbraw/zinc/12/49/51/628124951.db2.gz BJGFAQLKQSXAPG-BXUZGUMPSA-N 1 0 266.341 2.749 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274983 628125181 /nfs/dbraw/zinc/12/51/81/628125181.db2.gz FDUMUNAUFGRJQW-BXUZGUMPSA-N 1 0 266.341 2.605 20 5 CFBDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279071 628125887 /nfs/dbraw/zinc/12/58/87/628125887.db2.gz WYPKRWJMAZDBPX-IUODEOHRSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000776580067 628160522 /nfs/dbraw/zinc/16/05/22/628160522.db2.gz QVVWXPIQSXCAKG-IUODEOHRSA-N 1 0 280.368 2.995 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCCC3)c2)c1 ZINC000777950952 628267104 /nfs/dbraw/zinc/26/71/04/628267104.db2.gz MFUVINJFNIFLPE-UHFFFAOYSA-N 1 0 272.308 2.512 20 5 CFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860969 628415421 /nfs/dbraw/zinc/41/54/21/628415421.db2.gz LKMVCCWAFZAZGY-DGCLKSJQSA-N 1 0 280.372 2.958 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000780575581 628479080 /nfs/dbraw/zinc/47/90/80/628479080.db2.gz DOPPSCFJYTUNSL-PWSUYJOCSA-N 1 0 292.335 2.644 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588619 628562590 /nfs/dbraw/zinc/56/25/90/628562590.db2.gz XIUYLZIFMLJSAQ-IAQYHMDHSA-N 1 0 292.383 2.878 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(O)CC2)cc1Cl ZINC000783593216 628724531 /nfs/dbraw/zinc/72/45/31/628724531.db2.gz YRNDETJLUSUZLO-UHFFFAOYSA-N 1 0 284.743 2.641 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1Cl ZINC000783667105 628732205 /nfs/dbraw/zinc/73/22/05/628732205.db2.gz NNBPEEKIQDQRNN-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CCO)cc1Cl ZINC000783679010 628734147 /nfs/dbraw/zinc/73/41/47/628734147.db2.gz FQTRTNBDKWHQNV-NSHDSACASA-N 1 0 284.743 2.595 20 5 CFBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000784352430 628808974 /nfs/dbraw/zinc/80/89/74/628808974.db2.gz NXIGTWVWAVMROG-DOMZBBRYSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000786563220 628968878 /nfs/dbraw/zinc/96/88/78/628968878.db2.gz ZNDUFMZOZUXDCT-UHFFFAOYSA-N 1 0 279.340 2.551 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000788489894 629074679 /nfs/dbraw/zinc/07/46/79/629074679.db2.gz TWJLXDRXTCQINW-OCCSQVGLSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589645 629083993 /nfs/dbraw/zinc/08/39/93/629083993.db2.gz SHGNCNSIUGSLAL-RYUDHWBXSA-N 1 0 294.399 2.558 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788607710 629086656 /nfs/dbraw/zinc/08/66/56/629086656.db2.gz CCPFIWAHNXWMNV-NQBHXWOUSA-N 1 0 295.383 2.625 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788819778 629102563 /nfs/dbraw/zinc/10/25/63/629102563.db2.gz BJTUYQHTNMXVSZ-XEGUGMAKSA-N 1 0 293.367 2.785 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789566845 629167460 /nfs/dbraw/zinc/16/74/60/629167460.db2.gz OLCIJHCOXQVGOT-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO C[NH+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000835068199 629369960 /nfs/dbraw/zinc/36/99/60/629369960.db2.gz CSCDMJSAZSBMBZ-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000796540681 629932247 /nfs/dbraw/zinc/93/22/47/629932247.db2.gz VROAKWLFKCWPLV-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CC2CC2)C2CCC2)c1 ZINC000796578689 629937703 /nfs/dbraw/zinc/93/77/03/629937703.db2.gz XEMAXNJFWQMBFO-MRXNPFEDSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CC2CC2)C2CCC2)c1 ZINC000796578688 629937904 /nfs/dbraw/zinc/93/79/04/629937904.db2.gz XEMAXNJFWQMBFO-INIZCTEOSA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)[C@@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000798819641 630242328 /nfs/dbraw/zinc/24/23/28/630242328.db2.gz DHLJCVOGOZMAMC-FZMZJTMJSA-N 1 0 294.351 2.785 20 5 CFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852700369 634810379 /nfs/dbraw/zinc/81/03/79/634810379.db2.gz NILRVYFMFOEAHE-LVMUYBQDSA-N 1 0 290.363 2.891 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000802657883 630536781 /nfs/dbraw/zinc/53/67/81/630536781.db2.gz BQRPABLOMBSPLR-UHFFFAOYSA-N 1 0 260.293 2.862 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804348084 630674567 /nfs/dbraw/zinc/67/45/67/630674567.db2.gz LYJXUQQUQNCDRT-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO C[NH+](C)C[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000804400135 630679335 /nfs/dbraw/zinc/67/93/35/630679335.db2.gz NONKQXLINNAAMR-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804423507 630680936 /nfs/dbraw/zinc/68/09/36/630680936.db2.gz RAXNVABZYVNULR-JTQLQIEISA-N 1 0 296.327 2.645 20 5 CFBDRO Cc1c(-c2nc([C@@H]([NH3+])C(C)C)no2)cccc1[N+](=O)[O-] ZINC000041123489 649988924 /nfs/dbraw/zinc/98/89/24/649988924.db2.gz JOEWSIOOLOCQRF-NSHDSACASA-N 1 0 276.296 2.609 20 5 CFBDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000840884030 631250796 /nfs/dbraw/zinc/25/07/96/631250796.db2.gz JBSSZGNRKBZRKW-QWRGUYRKSA-N 1 0 293.367 2.785 20 5 CFBDRO [NH3+]CCN(C[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000809734890 631274041 /nfs/dbraw/zinc/27/40/41/631274041.db2.gz NFPZQMUSSVWRHG-CYBMUJFWSA-N 1 0 275.352 2.716 20 5 CFBDRO C[C@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCC[NH2+]C1 ZINC000841056115 631323730 /nfs/dbraw/zinc/32/37/30/631323730.db2.gz CBNFBPPYLLQSBQ-AWEZNQCLSA-N 1 0 297.786 2.728 20 5 CFBDRO CCC[NH+]1CCC(CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000811787100 631622877 /nfs/dbraw/zinc/62/28/77/631622877.db2.gz CTRVMGRSNJXOQO-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO CC[N@H+](CCNc1ccsc1[N+](=O)[O-])C(C)C ZINC000811797200 631623608 /nfs/dbraw/zinc/62/36/08/631623608.db2.gz ARFUYOMSTUNSAR-UHFFFAOYSA-N 1 0 257.359 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842474623 631641136 /nfs/dbraw/zinc/64/11/36/631641136.db2.gz WBGGGJFUIQBEMP-BETUJISGSA-N 1 0 295.770 2.575 20 5 CFBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635441 631688834 /nfs/dbraw/zinc/68/88/34/631688834.db2.gz NKVMCZNCSOBLIL-QWHCGFSZSA-N 1 0 292.383 2.897 20 5 CFBDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812779849 631772084 /nfs/dbraw/zinc/77/20/84/631772084.db2.gz ZXOMUWDQRSJXBJ-LBPRGKRZSA-N 1 0 284.743 2.593 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000843051315 631815797 /nfs/dbraw/zinc/81/57/97/631815797.db2.gz WNQVIMGWEFOWHS-DGCLKSJQSA-N 1 0 297.786 2.807 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000843060457 631822788 /nfs/dbraw/zinc/82/27/88/631822788.db2.gz KGMUAWFDOWTQFG-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000815568952 632290440 /nfs/dbraw/zinc/29/04/40/632290440.db2.gz ZXZSFBYUMHFMDM-ZJUUUORDSA-N 1 0 263.341 2.874 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592162 632292919 /nfs/dbraw/zinc/29/29/19/632292919.db2.gz ALKJVPNSWRKGNA-MWLCHTKSSA-N 1 0 263.341 2.874 20 5 CFBDRO Cc1cncc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815598872 632295269 /nfs/dbraw/zinc/29/52/69/632295269.db2.gz FLNNZHXBEULNOD-NSHDSACASA-N 1 0 286.335 2.731 20 5 CFBDRO CC(C)SCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625540 632300613 /nfs/dbraw/zinc/30/06/13/632300613.db2.gz GOVHBCRYMUCFHB-JTQLQIEISA-N 1 0 283.397 2.969 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)O ZINC000816652998 632504958 /nfs/dbraw/zinc/50/49/58/632504958.db2.gz BNMVOZNPMLDAEH-LBPRGKRZSA-N 1 0 286.759 2.887 20 5 CFBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412868 632624445 /nfs/dbraw/zinc/62/44/45/632624445.db2.gz PWRVJLLBINFVEL-CMPLNLGQSA-N 1 0 298.770 2.699 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846183270 632654907 /nfs/dbraw/zinc/65/49/07/632654907.db2.gz GUNRPRWSCYNIIP-WDMOLILDSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846698179 632777437 /nfs/dbraw/zinc/77/74/37/632777437.db2.gz BCGBECASJLOIOS-MWLCHTKSSA-N 1 0 283.759 2.560 20 5 CFBDRO CCC[C@H](CC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818983444 632921411 /nfs/dbraw/zinc/92/14/11/632921411.db2.gz IKNUPMDAHYNSSY-GXTWGEPZSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819140277 632982121 /nfs/dbraw/zinc/98/21/21/632982121.db2.gz AWPZIHPGJNLNGW-AWEZNQCLSA-N 1 0 278.352 2.654 20 5 CFBDRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819200097 633016336 /nfs/dbraw/zinc/01/63/36/633016336.db2.gz JMSTWQDHUKZZCN-TZMCWYRMSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000819360061 633108693 /nfs/dbraw/zinc/10/86/93/633108693.db2.gz ZBQWZQASXHCMOF-CVEARBPZSA-N 1 0 290.363 2.797 20 5 CFBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000849349760 633625938 /nfs/dbraw/zinc/62/59/38/633625938.db2.gz IJACTCINHYNCHL-UHFFFAOYSA-N 1 0 283.759 2.609 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCC(C)CC2)n1 ZINC000853868064 635138836 /nfs/dbraw/zinc/13/88/36/635138836.db2.gz WPKPVDUMJMBERW-CYBMUJFWSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CN3C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000925490593 635837176 /nfs/dbraw/zinc/83/71/76/635837176.db2.gz BZPFGIWDCHVUCN-AEGPPILISA-N 1 0 289.379 2.648 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000048449270 650266570 /nfs/dbraw/zinc/26/65/70/650266570.db2.gz LNILIJOSOGICCW-HNNXBMFYSA-N 1 0 290.294 2.557 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000860073408 636779287 /nfs/dbraw/zinc/77/92/87/636779287.db2.gz LEVZXAVNWUEIBH-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000860073406 636779513 /nfs/dbraw/zinc/77/95/13/636779513.db2.gz LEVZXAVNWUEIBH-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO CC[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000119524219 637701521 /nfs/dbraw/zinc/70/15/21/637701521.db2.gz CPQRNNXENZCRFZ-NSHDSACASA-N 1 0 274.324 2.634 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000863588333 637705121 /nfs/dbraw/zinc/70/51/21/637705121.db2.gz KRIFLZJVNXPSSV-UKRRQHHQSA-N 1 0 290.363 2.798 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC23CCOCC3)cs1 ZINC000865778248 638568088 /nfs/dbraw/zinc/56/80/88/638568088.db2.gz HVASKTGUTSIJID-GFCCVEGCSA-N 1 0 296.392 2.953 20 5 CFBDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000865807518 638584581 /nfs/dbraw/zinc/58/45/81/638584581.db2.gz TVGOQUFBGBMPCN-KRWDZBQOSA-N 1 0 297.358 2.871 20 5 CFBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865843954 638607424 /nfs/dbraw/zinc/60/74/24/638607424.db2.gz WIQBPZNNZQUFOE-UHFFFAOYSA-N 1 0 285.294 2.530 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000865871584 638629545 /nfs/dbraw/zinc/62/95/45/638629545.db2.gz DHZNBWMTHKQCCX-JDQXGDOCSA-N 1 0 278.352 2.747 20 5 CFBDRO CCC1([NH+](C)C)CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000866059973 638718238 /nfs/dbraw/zinc/71/82/38/638718238.db2.gz XUGRRUXXZNSDCV-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CC(C)[NH+]1CCC(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000866086318 638730990 /nfs/dbraw/zinc/73/09/90/638730990.db2.gz WEGQJJRCZGNPCI-UHFFFAOYSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)N(C)C ZINC000866213973 638771883 /nfs/dbraw/zinc/77/18/83/638771883.db2.gz FHVCEGINKVRMGZ-NSHDSACASA-N 1 0 297.374 2.595 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274544 638786903 /nfs/dbraw/zinc/78/69/03/638786903.db2.gz NUGHCZZBNCQWQQ-SMDDNHRTSA-N 1 0 298.358 2.662 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC000866314705 638795993 /nfs/dbraw/zinc/79/59/93/638795993.db2.gz NZKJYRCVOFLGMM-BXUZGUMPSA-N 1 0 296.342 2.824 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC=CO1 ZINC000866343809 638799974 /nfs/dbraw/zinc/79/99/74/638799974.db2.gz ODFZRKGFZWWOSS-SMDDNHRTSA-N 1 0 294.326 2.947 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866582127 638848571 /nfs/dbraw/zinc/84/85/71/638848571.db2.gz DLKMRKMGMGNEOP-XPKDYRNWSA-N 1 0 289.379 2.682 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866634512 638858573 /nfs/dbraw/zinc/85/85/73/638858573.db2.gz RUBSCVDFPZBRKH-WDMOLILDSA-N 1 0 278.352 2.721 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866635350 638858740 /nfs/dbraw/zinc/85/87/40/638858740.db2.gz ZZKJWOSCCOMZNP-JTNHKYCSSA-N 1 0 298.358 2.804 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000866634920 638858762 /nfs/dbraw/zinc/85/87/62/638858762.db2.gz VPVTZSRLXZXHRG-QJPTWQEYSA-N 1 0 296.367 2.804 20 5 CFBDRO Nc1ccc2c(c1)OCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000866691358 638866235 /nfs/dbraw/zinc/86/62/35/638866235.db2.gz PFTQWSWYHIYYDS-UHFFFAOYSA-N 1 0 299.330 2.572 20 5 CFBDRO Cc1nn(C[N@@H+]2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121229241 638875200 /nfs/dbraw/zinc/87/52/00/638875200.db2.gz WLSYASIVUNOGER-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121240180 638875298 /nfs/dbraw/zinc/87/52/98/638875298.db2.gz WMXSBEHUJOWNMT-PWSUYJOCSA-N 1 0 288.351 2.941 20 5 CFBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121231505 638875368 /nfs/dbraw/zinc/87/53/68/638875368.db2.gz HAQCLADQJIKIEY-JTQLQIEISA-N 1 0 274.324 2.695 20 5 CFBDRO CCN1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000121758717 638890760 /nfs/dbraw/zinc/89/07/60/638890760.db2.gz ZMMMPQZTFNXGFT-CQSZACIVSA-N 1 0 292.335 2.512 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1OCC[C@H]1CC[NH2+]C1 ZINC000122482924 639106184 /nfs/dbraw/zinc/10/61/84/639106184.db2.gz NMFKODXXCCFHKG-SECBINFHSA-N 1 0 270.716 2.627 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000869897164 639459045 /nfs/dbraw/zinc/45/90/45/639459045.db2.gz MXBFXEXBNOVDHX-UHFFFAOYSA-N 1 0 298.314 2.623 20 5 CFBDRO Cc1c(CNc2cccc(N(C)C)[nH+]2)cccc1[N+](=O)[O-] ZINC000871862988 641487218 /nfs/dbraw/zinc/48/72/18/641487218.db2.gz PPKXRMVNQBJRGO-UHFFFAOYSA-N 1 0 286.335 2.976 20 5 CFBDRO C[C@@H]([NH2+]CCCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016026 641547195 /nfs/dbraw/zinc/54/71/95/641547195.db2.gz BUGPTYJLSMJVRD-LLVKDONJSA-N 1 0 292.314 2.671 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027951 641557899 /nfs/dbraw/zinc/55/78/99/641557899.db2.gz GZZQALARGICEOE-MNOVXSKESA-N 1 0 283.347 2.725 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030465 641560714 /nfs/dbraw/zinc/56/07/14/641560714.db2.gz FWBVPSXJSXYADC-ZJUUUORDSA-N 1 0 270.304 2.810 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034674 641566115 /nfs/dbraw/zinc/56/61/15/641566115.db2.gz ILCSGFYJJIVJCG-IINYFYTJSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037506 641571341 /nfs/dbraw/zinc/57/13/41/641571341.db2.gz CNUPUHZDFXTCBE-GRYCIOLGSA-N 1 0 295.358 2.867 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043055 641578019 /nfs/dbraw/zinc/57/80/19/641578019.db2.gz VNEDJLFDYGWBDM-YGRLFVJLSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046442 641581223 /nfs/dbraw/zinc/58/12/23/641581223.db2.gz HKTSFDRGNNSNNU-WDEREUQCSA-N 1 0 292.314 2.670 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049563 641583951 /nfs/dbraw/zinc/58/39/51/641583951.db2.gz STGDBRQQHSEHFU-SKDRFNHKSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063494 641595570 /nfs/dbraw/zinc/59/55/70/641595570.db2.gz QQAOHSJJVVKLMS-AXTRIDKLSA-N 1 0 282.315 2.544 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071145 641602631 /nfs/dbraw/zinc/60/26/31/641602631.db2.gz LALSCIXDZLLQLA-GHMZBOCLSA-N 1 0 284.331 2.649 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076406 641607974 /nfs/dbraw/zinc/60/79/74/641607974.db2.gz KYKRXYQNVPYJQA-IRUJWGPZSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085294 641619274 /nfs/dbraw/zinc/61/92/74/641619274.db2.gz PCWGCYWIHQDDCG-UWVGGRQHSA-N 1 0 282.315 2.952 20 5 CFBDRO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089510 641623228 /nfs/dbraw/zinc/62/32/28/641623228.db2.gz YYFPKGHBNYVCCY-RYUDHWBXSA-N 1 0 295.358 2.869 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089511 641623566 /nfs/dbraw/zinc/62/35/66/641623566.db2.gz YYFPKGHBNYVCCY-VXGBXAGGSA-N 1 0 295.358 2.869 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000872091865 641624493 /nfs/dbraw/zinc/62/44/93/641624493.db2.gz LFEWBTYSVKFFAZ-MXWKQRLJSA-N 1 0 296.392 2.738 20 5 CFBDRO COCC(C)(C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872104395 641634209 /nfs/dbraw/zinc/63/42/09/641634209.db2.gz CREPKMQCGPVBCG-LLVKDONJSA-N 1 0 295.383 2.890 20 5 CFBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872128842 641656711 /nfs/dbraw/zinc/65/67/11/641656711.db2.gz ZFPKNYSHQQOMTM-MPPDQPJWSA-N 1 0 264.325 2.811 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129838 641657600 /nfs/dbraw/zinc/65/76/00/641657600.db2.gz XXYJNDFPIFIVHI-WZRBSPASSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316267 641753729 /nfs/dbraw/zinc/75/37/29/641753729.db2.gz JAGMGPZFFZHENJ-KGLIPLIRSA-N 1 0 280.299 2.535 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCC1CC1 ZINC000873048172 641994570 /nfs/dbraw/zinc/99/45/70/641994570.db2.gz RGXZVZAYXJLZKO-UHFFFAOYSA-N 1 0 278.352 2.728 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CO)CCCC1 ZINC000873106805 642013443 /nfs/dbraw/zinc/01/34/43/642013443.db2.gz DWHPQURVTFIVAU-UHFFFAOYSA-N 1 0 292.379 2.854 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CCCCO ZINC000873131074 642021910 /nfs/dbraw/zinc/02/19/10/642021910.db2.gz KTFMYEXLOBJHNP-LBPRGKRZSA-N 1 0 280.368 2.852 20 5 CFBDRO Cc1c(C[NH2+]C[C@H]2CCN2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873133769 642024321 /nfs/dbraw/zinc/02/43/21/642024321.db2.gz GSGLKADDNQVWQG-CQSZACIVSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1[N+](=O)[O-] ZINC000873157447 642041149 /nfs/dbraw/zinc/04/11/49/642041149.db2.gz YSYISEMZHFBAGY-OFQRWUPVSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCSCC1 ZINC000876561718 642924204 /nfs/dbraw/zinc/92/42/04/642924204.db2.gz RHHHPNFPLSJRKK-UHFFFAOYSA-N 1 0 266.366 2.760 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000876693202 642976957 /nfs/dbraw/zinc/97/69/57/642976957.db2.gz BDCUWQPJQQRNOF-AWEZNQCLSA-N 1 0 292.379 2.806 20 5 CFBDRO COC[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726013 642984967 /nfs/dbraw/zinc/98/49/67/642984967.db2.gz SVKJQSZQNBTXQQ-CYBMUJFWSA-N 1 0 278.352 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC[C@@H](C)C1 ZINC000876751957 642994155 /nfs/dbraw/zinc/99/41/55/642994155.db2.gz CBEWAOGDVIPFMG-NSHDSACASA-N 1 0 278.352 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000876790201 643011093 /nfs/dbraw/zinc/01/10/93/643011093.db2.gz WGDGFVSKWICAGG-MRXNPFEDSA-N 1 0 290.363 2.824 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000877022730 643108292 /nfs/dbraw/zinc/10/82/92/643108292.db2.gz QWPSHZFALFOHCY-LBPRGKRZSA-N 1 0 292.335 2.626 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(C4CC4)CCC3)C2)c1 ZINC000877111852 643156949 /nfs/dbraw/zinc/15/69/49/643156949.db2.gz NCDZZVYXVWUYHV-UHFFFAOYSA-N 1 0 290.367 2.665 20 5 CFBDRO CC1(C)CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877118880 643160804 /nfs/dbraw/zinc/16/08/04/643160804.db2.gz OMPYODVGMQMSAR-VOMCLLRMSA-N 1 0 278.356 2.663 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000877169903 643186709 /nfs/dbraw/zinc/18/67/09/643186709.db2.gz HGTHNWIZGCSHQK-KGLIPLIRSA-N 1 0 292.379 2.804 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C)(CO)CC1 ZINC000877361269 643248175 /nfs/dbraw/zinc/24/81/75/643248175.db2.gz QVOSNHKZHWAGOB-UHFFFAOYSA-N 1 0 292.379 2.806 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877492136 643306057 /nfs/dbraw/zinc/30/60/57/643306057.db2.gz SKUMYVSVAHPKEJ-OKZRHMCRSA-N 1 0 278.356 2.521 20 5 CFBDRO CCN(CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000877527526 643331431 /nfs/dbraw/zinc/33/14/31/643331431.db2.gz PUMRMRVTVWHVEP-UHFFFAOYSA-N 1 0 279.384 2.677 20 5 CFBDRO CC[C@H]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877562083 643361565 /nfs/dbraw/zinc/36/15/65/643361565.db2.gz OPYOZCUDROGPBC-FEPKRQSRSA-N 1 0 292.383 2.911 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](C3CC3)C3CCC3)C2)c1 ZINC000877579634 643376292 /nfs/dbraw/zinc/37/62/92/643376292.db2.gz WSXMNPGSVDUZHT-PIMMBPRGSA-N 1 0 290.367 2.663 20 5 CFBDRO COCCC1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877582427 643377497 /nfs/dbraw/zinc/37/74/97/643377497.db2.gz VMWDBAOYQWWIGQ-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000878285582 643821683 /nfs/dbraw/zinc/82/16/83/643821683.db2.gz CJLZDMUFFPIIBZ-JNSHFYNHSA-N 1 0 290.363 2.984 20 5 CFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000878421725 643887740 /nfs/dbraw/zinc/88/77/40/643887740.db2.gz CMGKTTPUEUOIGF-RYUDHWBXSA-N 1 0 294.351 2.581 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247052125 650896195 /nfs/dbraw/zinc/89/61/95/650896195.db2.gz UALZFVDYFRZRJA-MNOVXSKESA-N 1 0 274.324 2.632 20 5 CFBDRO CO[C@H]1CC[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319666 644224054 /nfs/dbraw/zinc/22/40/54/644224054.db2.gz DEAQJNRLSYFWQF-DOMZBBRYSA-N 1 0 278.352 2.637 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879328184 644234484 /nfs/dbraw/zinc/23/44/84/644234484.db2.gz YJAOIGCJRPZFHN-SMDDNHRTSA-N 1 0 294.351 2.603 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879555644 644317014 /nfs/dbraw/zinc/31/70/14/644317014.db2.gz AILIJIOMTKVYMT-ZYHUDNBSSA-N 1 0 296.367 2.919 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879616670 644349396 /nfs/dbraw/zinc/34/93/96/644349396.db2.gz IDQNGAGWRAWAKN-SMDDNHRTSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880294249 644632801 /nfs/dbraw/zinc/63/28/01/644632801.db2.gz AKRXDSYCXJHHBK-NSHDSACASA-N 1 0 252.289 2.695 20 5 CFBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880439926 644707204 /nfs/dbraw/zinc/70/72/04/644707204.db2.gz NKEDIQYEYKHAJU-BXKDBHETSA-N 1 0 284.743 2.593 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882382851 645295591 /nfs/dbraw/zinc/29/55/91/645295591.db2.gz XPSZZIZGVYJKSA-JTQLQIEISA-N 1 0 284.335 2.661 20 5 CFBDRO Cc1cccc(N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882963012 645531783 /nfs/dbraw/zinc/53/17/83/645531783.db2.gz KTJVEJOBRMMJRX-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CCC[C@H]([NH2+]CC[S@@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130890741 645588575 /nfs/dbraw/zinc/58/85/75/645588575.db2.gz CQJSVOSIPRJYTE-VBKZILBWSA-N 1 0 298.408 2.794 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883090162 645601435 /nfs/dbraw/zinc/60/14/35/645601435.db2.gz DFBJSENERCXXRN-QAVQXKDTSA-N 1 0 284.743 2.665 20 5 CFBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252924580 651029618 /nfs/dbraw/zinc/02/96/18/651029618.db2.gz LKBDMRKUYFLYDL-ZIAGYGMSSA-N 1 0 298.770 2.984 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC3(CC3)C2)cc1 ZINC000883186986 645649193 /nfs/dbraw/zinc/64/91/93/645649193.db2.gz CZRLIYXKRYTGNN-UKRRQHHQSA-N 1 0 290.363 2.941 20 5 CFBDRO COCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000131466708 645730191 /nfs/dbraw/zinc/73/01/91/645730191.db2.gz QJQJFYJGBQIINB-UHFFFAOYSA-N 1 0 252.314 2.501 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883318938 645737362 /nfs/dbraw/zinc/73/73/62/645737362.db2.gz JFKIJYXJHIPOHN-WDMOLILDSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000883446955 645835761 /nfs/dbraw/zinc/83/57/61/645835761.db2.gz PJEVDODSWZMZNV-UHIISALHSA-N 1 0 295.358 2.682 20 5 CFBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000134178534 646297927 /nfs/dbraw/zinc/29/79/27/646297927.db2.gz UIZJHOKPMRPPDI-HNNXBMFYSA-N 1 0 294.351 2.725 20 5 CFBDRO COc1ccc(CN(C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885945053 646777742 /nfs/dbraw/zinc/77/77/42/646777742.db2.gz YWBZKJFMKPGFEF-UHFFFAOYSA-N 1 0 287.319 2.630 20 5 CFBDRO CC(C)C[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000885956446 646782530 /nfs/dbraw/zinc/78/25/30/646782530.db2.gz PSKSCKJSCFVCQW-UHFFFAOYSA-N 1 0 251.330 2.856 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@H+](C1CC1)C1CCCC1 ZINC000886002446 646806820 /nfs/dbraw/zinc/80/68/20/646806820.db2.gz ZZWPJMFENWEPRF-UHFFFAOYSA-N 1 0 261.325 2.897 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000886021482 646824115 /nfs/dbraw/zinc/82/41/15/646824115.db2.gz XHWIYVDRCNDXQC-YPMHNXCESA-N 1 0 261.325 2.754 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000886038477 646833699 /nfs/dbraw/zinc/83/36/99/646833699.db2.gz WJMBURXKDLNGJA-CHWSQXEVSA-N 1 0 293.392 2.850 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000886038479 646835019 /nfs/dbraw/zinc/83/50/19/646835019.db2.gz WJMBURXKDLNGJA-QWHCGFSZSA-N 1 0 293.392 2.850 20 5 CFBDRO Cc1coc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000886049432 646842133 /nfs/dbraw/zinc/84/21/33/646842133.db2.gz MAUHLCDWXCZBFP-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CC(C)C([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886116155 646877984 /nfs/dbraw/zinc/87/79/84/646877984.db2.gz BEXPLOVULRDFLC-UHFFFAOYSA-N 1 0 251.330 2.760 20 5 CFBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000886125686 646884592 /nfs/dbraw/zinc/88/45/92/646884592.db2.gz YLOPMMMNSQQGAQ-LBPRGKRZSA-N 1 0 261.325 2.778 20 5 CFBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000886125685 646884854 /nfs/dbraw/zinc/88/48/54/646884854.db2.gz YLOPMMMNSQQGAQ-GFCCVEGCSA-N 1 0 261.325 2.778 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+](C1CCC1)C1CCC1 ZINC000886215079 646923717 /nfs/dbraw/zinc/92/37/17/646923717.db2.gz CVXDPOACECNUSD-UHFFFAOYSA-N 1 0 261.325 2.897 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000886215248 646924695 /nfs/dbraw/zinc/92/46/95/646924695.db2.gz GSYNTRMDIMQNDI-XIVSLSHWSA-N 1 0 261.325 2.658 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000886290704 646956600 /nfs/dbraw/zinc/95/66/00/646956600.db2.gz LWJFKUWZESUIIR-AWEZNQCLSA-N 1 0 290.363 2.952 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818619 647151786 /nfs/dbraw/zinc/15/17/86/647151786.db2.gz HLKFLFXGNRDCAA-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886836085 647157570 /nfs/dbraw/zinc/15/75/70/647157570.db2.gz VLQRBARUWNWFSB-DZGCQCFKSA-N 1 0 276.336 2.596 20 5 CFBDRO CC1(C)[C@H]([NH3+])c2ccccc2N1Cc1cccnc1[N+](=O)[O-] ZINC000886841604 647160321 /nfs/dbraw/zinc/16/03/21/647160321.db2.gz QNHUHZZIXRDDPH-CQSZACIVSA-N 1 0 298.346 2.788 20 5 CFBDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300328431 647322202 /nfs/dbraw/zinc/32/22/02/647322202.db2.gz OGKWQOKSYZAZQN-ZLDLUXBVSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000300615952 647345213 /nfs/dbraw/zinc/34/52/13/647345213.db2.gz VHULFADTUJKKBY-GVXVVHGQSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925152183 648117686 /nfs/dbraw/zinc/11/76/86/648117686.db2.gz GLBCTFDXTFLHHX-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO C[C@@H]1COC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925465111 648176038 /nfs/dbraw/zinc/17/60/38/648176038.db2.gz GRVZXLXYPQMBMQ-IUODEOHRSA-N 1 0 278.352 2.542 20 5 CFBDRO CC[C@H]1COC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113404 648407210 /nfs/dbraw/zinc/40/72/10/648407210.db2.gz POHORIIHUWUNTH-GXFFZTMASA-N 1 0 298.770 2.805 20 5 CFBDRO Cc1cc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000926913479 648654747 /nfs/dbraw/zinc/65/47/47/648654747.db2.gz DEKXMOGONQXTRC-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOC2CC2)C2CC2)c1 ZINC000929852216 649139586 /nfs/dbraw/zinc/13/95/86/649139586.db2.gz HSWWYYYLDRVTQC-UHFFFAOYSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])CC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000929890312 649145220 /nfs/dbraw/zinc/14/52/20/649145220.db2.gz UYCDDHNXYWFPSM-HNNXBMFYSA-N 1 0 260.337 2.805 20 5 CFBDRO CCCC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(OC)cc1 ZINC000930213772 649208067 /nfs/dbraw/zinc/20/80/67/649208067.db2.gz JMVQSLJXLPGMKH-CQSZACIVSA-N 1 0 266.341 2.793 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000930449839 649250031 /nfs/dbraw/zinc/25/00/31/649250031.db2.gz GLQSWSIIENYTPQ-KFWWJZLASA-N 1 0 260.337 2.531 20 5 CFBDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930449007 649250300 /nfs/dbraw/zinc/25/03/00/649250300.db2.gz KRRIBPUVKOOHAY-OCCSQVGLSA-N 1 0 278.352 2.745 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931046960 649370226 /nfs/dbraw/zinc/37/02/26/649370226.db2.gz CSPRXAPCQOBMCN-TYNCELHUSA-N 1 0 277.368 2.680 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000932177185 649559899 /nfs/dbraw/zinc/55/98/99/649559899.db2.gz LIERNMOQIJIGIA-LDYMZIIASA-N 1 0 292.257 2.559 20 5 CFBDRO CCOC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932646179 649633959 /nfs/dbraw/zinc/63/39/59/649633959.db2.gz XFJNWSFRQFPUGY-VXGBXAGGSA-N 1 0 292.335 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933378215 649690150 /nfs/dbraw/zinc/69/01/50/649690150.db2.gz SXZGMKWPBPPFBQ-CQSZACIVSA-N 1 0 294.326 2.925 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(C2CCCCC2)CC1 ZINC000934789580 649831738 /nfs/dbraw/zinc/83/17/38/649831738.db2.gz IZDKFAAYKXCAJO-UHFFFAOYSA-N 1 0 292.383 2.802 20 5 CFBDRO Cc1ccc(C)c(C2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC000934796520 649832297 /nfs/dbraw/zinc/83/22/97/649832297.db2.gz FXSXZTIJJXPKPV-UHFFFAOYSA-N 1 0 262.353 2.760 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000119867212 651301491 /nfs/dbraw/zinc/30/14/91/651301491.db2.gz HJXCLDZOFHXZQH-ZFWWWQNUSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1cccc(Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC001204450502 770113429 /nfs/dbraw/zinc/11/34/29/770113429.db2.gz PWOUWHRSLBEABT-UHFFFAOYSA-N 1 0 281.275 2.919 20 5 CFBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]1CC[N@H+](C)C1 ZINC001167278456 770197748 /nfs/dbraw/zinc/19/77/48/770197748.db2.gz LWJDQVYJTQWROK-VIFPVBQESA-N 1 0 299.758 2.681 20 5 CFBDRO Cc1ccc(C[NH2+]CCOC2CCC2)cc1[N+](=O)[O-] ZINC000690705187 770502314 /nfs/dbraw/zinc/50/23/14/770502314.db2.gz RIIYABZOAFXGLU-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cnc(F)c([N+](=O)[O-])c1 ZINC001167626854 773197797 /nfs/dbraw/zinc/19/77/97/773197797.db2.gz VWKZWYUNGUVYJZ-UHFFFAOYSA-N 1 0 296.346 2.614 20 5 CFBDRO Cc1ccc(-n2c(N)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC001213661313 773208083 /nfs/dbraw/zinc/20/80/83/773208083.db2.gz AENGHKHNPYTSPE-UHFFFAOYSA-N 1 0 268.276 2.824 20 5 CFBDRO CC[NH+](CC)C[C@H](C)OCCc1ccc([N+](=O)[O-])cc1 ZINC001224330964 775159443 /nfs/dbraw/zinc/15/94/43/775159443.db2.gz MUSROZJVOPPDBI-ZDUSSCGKSA-N 1 0 280.368 2.884 20 5 CFBDRO CCCCOC[C@@H](C)OC[C@H](C)OCCC[N+](C)(C)C ZINC001224621043 775229677 /nfs/dbraw/zinc/22/96/77/775229677.db2.gz JIAMVXSCDOEDJD-CVEARBPZSA-N 1 0 290.468 2.710 20 5 CFBDRO COc1ccc(OC[C@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224623735 775229696 /nfs/dbraw/zinc/22/96/96/775229696.db2.gz QEEUNCWNVOTFAI-AWEZNQCLSA-N 1 0 282.404 2.575 20 5 CFBDRO Cc1ccccc1OC[C@H](C)OCCC[N+](C)(C)C ZINC001224624049 775229792 /nfs/dbraw/zinc/22/97/92/775229792.db2.gz UDPZVWRPXOZXFL-HNNXBMFYSA-N 1 0 266.405 2.875 20 5 CFBDRO COc1ccccc1OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224623671 775229896 /nfs/dbraw/zinc/22/98/96/775229896.db2.gz PJQZKASZPBMZAU-CQSZACIVSA-N 1 0 282.404 2.575 20 5 CFBDRO C[C@H](COc1ccccc1)OCCC[N+](C)(C)C ZINC001224622692 775229914 /nfs/dbraw/zinc/22/99/14/775229914.db2.gz ITQUMUBBPZPOQQ-CQSZACIVSA-N 1 0 252.378 2.567 20 5 CFBDRO C[C@H](COCCC[N+](C)(C)C)Oc1ccccc1 ZINC001224621354 775230106 /nfs/dbraw/zinc/23/01/06/775230106.db2.gz RXDGEICPMLFMER-CQSZACIVSA-N 1 0 252.378 2.567 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001224775495 775271293 /nfs/dbraw/zinc/27/12/93/775271293.db2.gz LUCLDBSABWXXBA-XYPYZODXSA-N 1 0 254.316 2.830 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)C2CCCC2)cs1 ZINC000725123581 775286957 /nfs/dbraw/zinc/28/69/57/775286957.db2.gz ASFAWKBJXAZASN-GFCCVEGCSA-N 1 0 284.381 2.687 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)cc1 ZINC001225248854 775378426 /nfs/dbraw/zinc/37/84/26/775378426.db2.gz HVZOBVNESYYFPD-JTQLQIEISA-N 1 0 273.194 2.923 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)cc1 ZINC001225248855 775378622 /nfs/dbraw/zinc/37/86/22/775378622.db2.gz HVZOBVNESYYFPD-SNVBAGLBSA-N 1 0 273.194 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217971466 775409329 /nfs/dbraw/zinc/40/93/29/775409329.db2.gz IHVHHUMQDLZZNF-BXKDBHETSA-N 1 0 288.706 2.717 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@H]1CCCC[NH2+]C1 ZINC001217976544 775413507 /nfs/dbraw/zinc/41/35/07/775413507.db2.gz WXKIZNHBTAPBDO-VIFPVBQESA-N 1 0 270.716 2.769 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225381082 775435706 /nfs/dbraw/zinc/43/57/06/775435706.db2.gz CNKGFQMQILYHFS-LLVKDONJSA-N 1 0 268.288 2.595 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001225616689 775524569 /nfs/dbraw/zinc/52/45/69/775524569.db2.gz WEHXQUOOVGUJBP-CYBMUJFWSA-N 1 0 294.351 2.855 20 5 CFBDRO CC[NH+]1CCC(Oc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001225664297 775546842 /nfs/dbraw/zinc/54/68/42/775546842.db2.gz MMBAYTAVPDYWNR-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(F)c1[N+](=O)[O-])C2 ZINC001225664158 775546852 /nfs/dbraw/zinc/54/68/52/775546852.db2.gz KZXREBMQNLFUTL-JGPRNRPPSA-N 1 0 280.299 2.738 20 5 CFBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001225663585 775546951 /nfs/dbraw/zinc/54/69/51/775546951.db2.gz RIMRAZIVYIZMKC-GFCCVEGCSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225788786 775593321 /nfs/dbraw/zinc/59/33/21/775593321.db2.gz OJKOREPXSCBNDN-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794633 775596233 /nfs/dbraw/zinc/59/62/33/775596233.db2.gz VOUCIVZJYRPQIL-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C(C)=O)ccc1[N+](=O)[O-] ZINC001225803976 775598971 /nfs/dbraw/zinc/59/89/71/775598971.db2.gz LLUYVSIIGVAQNP-LLVKDONJSA-N 1 0 294.351 2.907 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1C(F)(F)F ZINC001225837967 775609796 /nfs/dbraw/zinc/60/97/96/775609796.db2.gz HXYKZSRBCFZZEY-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225906757 775630965 /nfs/dbraw/zinc/63/09/65/775630965.db2.gz DWGXWZVHRPKBIN-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(F)c(F)ccc1[N+](=O)[O-])C2 ZINC001225959405 775648894 /nfs/dbraw/zinc/64/88/94/775648894.db2.gz LFAMSBMBRXMADE-ILWJIGKKSA-N 1 0 298.289 2.877 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226129598 775710324 /nfs/dbraw/zinc/71/03/24/775710324.db2.gz FHFZIBDIDGVMGA-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226196243 775734367 /nfs/dbraw/zinc/73/43/67/775734367.db2.gz OCWXBSTYHAPJJU-ZETCQYMHSA-N 1 0 276.695 2.716 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1C(C)=O ZINC001226525356 775859746 /nfs/dbraw/zinc/85/97/46/775859746.db2.gz AEXHSXKBXKKKKX-NSHDSACASA-N 1 0 294.351 2.907 20 5 CFBDRO CCn1c2ccccc2nc1O[C@H](C)C[N+](C)(C)C ZINC001226533793 775863840 /nfs/dbraw/zinc/86/38/40/775863840.db2.gz IYSYGURHEGHVBB-GFCCVEGCSA-N 1 0 262.377 2.530 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC001226765525 775954767 /nfs/dbraw/zinc/95/47/67/775954767.db2.gz RMOQDBTWWAKKEW-NSHDSACASA-N 1 0 252.314 2.704 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Cl)cc1Cl ZINC001226892715 776005760 /nfs/dbraw/zinc/00/57/60/776005760.db2.gz DVQGIBUISDROEC-MRVPVSSYSA-N 1 0 264.176 2.862 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001226953290 776032784 /nfs/dbraw/zinc/03/27/84/776032784.db2.gz YLKVMEOTQWYYHJ-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001226997488 776054440 /nfs/dbraw/zinc/05/44/40/776054440.db2.gz XAWOTVRFPRDHCN-ZDUSSCGKSA-N 1 0 264.325 2.765 20 5 CFBDRO CC(=O)c1cc(C)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227087929 776089560 /nfs/dbraw/zinc/08/95/60/776089560.db2.gz WFQXSXSGIMBOLR-GFCCVEGCSA-N 1 0 250.362 2.671 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001227158793 776120179 /nfs/dbraw/zinc/12/01/79/776120179.db2.gz YFDGHVDCWYZCBC-QMMMGPOBSA-N 1 0 291.730 2.861 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1noc2cc(Cl)ccc21 ZINC001227190546 776130454 /nfs/dbraw/zinc/13/04/54/776130454.db2.gz VGOVKVCKKBBSNF-SECBINFHSA-N 1 0 269.752 2.955 20 5 CFBDRO Cc1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222962 776143879 /nfs/dbraw/zinc/14/38/79/776143879.db2.gz YHFLAWVTHYKHQJ-LBPRGKRZSA-N 1 0 279.340 2.550 20 5 CFBDRO COc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1Cl ZINC001227354711 776184810 /nfs/dbraw/zinc/18/48/10/776184810.db2.gz DPWUXNSCNLUQEV-VIFPVBQESA-N 1 0 276.759 2.961 20 5 CFBDRO CCOCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227993299 776353714 /nfs/dbraw/zinc/35/37/14/776353714.db2.gz ZJIHTAFXUOHBCF-CYBMUJFWSA-N 1 0 252.378 2.697 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001228003368 776358304 /nfs/dbraw/zinc/35/83/04/776358304.db2.gz WNLMGWKLVFLUGT-SECBINFHSA-N 1 0 270.716 2.721 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001228015100 776363878 /nfs/dbraw/zinc/36/38/78/776363878.db2.gz SZNRGKBXLJZMRH-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccnc(Cl)c1[N+](=O)[O-])C2 ZINC001228055685 776380423 /nfs/dbraw/zinc/38/04/23/776380423.db2.gz WBWFLVXWVBIJNM-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO CC(=O)c1c(F)cccc1O[C@H](C)C[N+](C)(C)C ZINC001228101273 776397657 /nfs/dbraw/zinc/39/76/57/776397657.db2.gz ZYOBWNLSEIETEC-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO CCN1CC[C@H](Oc2c(C(C)=O)cc(C)cc2[N+](=O)[O-])C1 ZINC001228451875 776495201 /nfs/dbraw/zinc/49/52/01/776495201.db2.gz DMBSHTZAZSBOJR-LBPRGKRZSA-N 1 0 292.335 2.579 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H](C)C[NH+](C)C ZINC001228570528 776523989 /nfs/dbraw/zinc/52/39/89/776523989.db2.gz DVKMMYUWCZRDTP-LLVKDONJSA-N 1 0 252.314 2.541 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)cc(F)c1[N+](=O)[O-])C2 ZINC001228610221 776538239 /nfs/dbraw/zinc/53/82/39/776538239.db2.gz RJYGWIBTNXIJHA-JGPRNRPPSA-N 1 0 298.289 2.877 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c2cccnc12 ZINC001228747623 776596203 /nfs/dbraw/zinc/59/62/03/776596203.db2.gz OUCFXXLWMHDCFP-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001228758706 776600231 /nfs/dbraw/zinc/60/02/31/776600231.db2.gz JJZADZCFBVRTRW-ZDUSSCGKSA-N 1 0 282.727 2.721 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228759067 776600749 /nfs/dbraw/zinc/60/07/49/776600749.db2.gz SEIZXJMLSUVVOL-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228934121 776661719 /nfs/dbraw/zinc/66/17/19/776661719.db2.gz MGDCQXQUESRFTO-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937968 776663507 /nfs/dbraw/zinc/66/35/07/776663507.db2.gz LKMSXNIEORILPP-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229179671 776745465 /nfs/dbraw/zinc/74/54/65/776745465.db2.gz OLYBHGQKWAAMAU-NSHDSACASA-N 1 0 295.359 2.661 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc2sccc21 ZINC001229209847 776751896 /nfs/dbraw/zinc/75/18/96/776751896.db2.gz XLNCOSJCSPEKLZ-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc2sccc21 ZINC001229209846 776752126 /nfs/dbraw/zinc/75/21/26/776752126.db2.gz XLNCOSJCSPEKLZ-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(-c2ccccc2)[nH]n1 ZINC001229440478 776813281 /nfs/dbraw/zinc/81/32/81/776813281.db2.gz LZNTXCQSYCTKOM-LBPRGKRZSA-N 1 0 260.361 2.550 20 5 CFBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc(C)c1[N+](=O)[O-] ZINC001229469966 776821538 /nfs/dbraw/zinc/82/15/38/776821538.db2.gz MSURSMCWTVDXJQ-LBPRGKRZSA-N 1 0 267.349 2.685 20 5 CFBDRO Cc1ccc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230143921 776955482 /nfs/dbraw/zinc/95/54/82/776955482.db2.gz QUUMXPOPOHSEEU-LBPRGKRZSA-N 1 0 264.325 2.765 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001230142848 776955704 /nfs/dbraw/zinc/95/57/04/776955704.db2.gz CDJUGUMMIFTMSP-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001230143247 776955738 /nfs/dbraw/zinc/95/57/38/776955738.db2.gz HRZUERWDLBHECZ-CLLJXQQHSA-N 1 0 276.336 2.907 20 5 CFBDRO COC(=O)C[C@H](C)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001231013425 777116001 /nfs/dbraw/zinc/11/60/01/777116001.db2.gz VMKBKKAZLWHGIO-KBPBESRZSA-N 1 0 294.415 2.827 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H](C)C[N+](C)(C)C ZINC001231059908 777128322 /nfs/dbraw/zinc/12/83/22/777128322.db2.gz LQYMAFXMJGMXRJ-GFCCVEGCSA-N 1 0 267.349 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2cc(F)ccc2c1 ZINC001231135307 777153062 /nfs/dbraw/zinc/15/30/62/777153062.db2.gz VHYHBFGATVVGBV-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231159051 777160705 /nfs/dbraw/zinc/16/07/05/777160705.db2.gz SMLVGKLXSLYLEW-LBPRGKRZSA-N 1 0 287.319 2.616 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785386 777277371 /nfs/dbraw/zinc/27/73/71/777277371.db2.gz AXJPEKQYLAQYJH-VIFPVBQESA-N 1 0 270.716 2.721 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc2c(F)cccc12 ZINC001225933951 777342528 /nfs/dbraw/zinc/34/25/28/777342528.db2.gz JTSGAIJLRISKSX-NSHDSACASA-N 1 0 263.336 2.847 20 5 CFBDRO CC(C)CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001161651369 777428814 /nfs/dbraw/zinc/42/88/14/777428814.db2.gz YHXSERWWJBDMFF-UHFFFAOYSA-N 1 0 281.356 2.603 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncsc2c1 ZINC001226641333 777590478 /nfs/dbraw/zinc/59/04/78/777590478.db2.gz IXCOKKULEQVOME-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000713927352 777879022 /nfs/dbraw/zinc/87/90/22/777879022.db2.gz SHHZPXHBDPQWLW-QMMMGPOBSA-N 1 0 258.705 2.577 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698279 778045457 /nfs/dbraw/zinc/04/54/57/778045457.db2.gz HUSYVRHLLWJUDF-SNVBAGLBSA-N 1 0 286.278 2.736 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233751868 778063987 /nfs/dbraw/zinc/06/39/87/778063987.db2.gz XXLFSHCXNVMNMT-UHFFFAOYSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c2cccnc2ccc1[N+](=O)[O-] ZINC001233786772 778077549 /nfs/dbraw/zinc/07/75/49/778077549.db2.gz SMINCHSOWZUFIE-NSHDSACASA-N 1 0 290.343 2.617 20 5 CFBDRO O=[N+]([O-])c1cccc2ccc(O[C@H]3C[NH+]4CCC3CC4)nc21 ZINC001233835638 778091203 /nfs/dbraw/zinc/09/12/03/778091203.db2.gz ASIHGTCKYMSTFW-AWEZNQCLSA-N 1 0 299.330 2.616 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233836658 778091967 /nfs/dbraw/zinc/09/19/67/778091967.db2.gz QCJLAQZOYOHPFJ-LLVKDONJSA-N 1 0 290.343 2.617 20 5 CFBDRO Cc1cc(F)c(O[C@H]2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC001234054238 778153647 /nfs/dbraw/zinc/15/36/47/778153647.db2.gz BQBVAEYSQVDVQT-NSHDSACASA-N 1 0 282.315 2.905 20 5 CFBDRO COc1cc2c(ccnc2O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001234866692 778315841 /nfs/dbraw/zinc/31/58/41/778315841.db2.gz DWRGCELJAKHZLX-NSHDSACASA-N 1 0 293.362 2.856 20 5 CFBDRO Cc1c(F)cnc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001168593727 780021242 /nfs/dbraw/zinc/02/12/42/780021242.db2.gz UBVBLDFIWRESLF-RYUDHWBXSA-N 1 0 296.346 2.722 20 5 CFBDRO Cc1cnc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001168601145 780031133 /nfs/dbraw/zinc/03/11/33/780031133.db2.gz JJLCEDDTIGZIQH-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCSC(F)(F)F)c1 ZINC000132145057 780601537 /nfs/dbraw/zinc/60/15/37/780601537.db2.gz JSPCFNQELPGIMV-UHFFFAOYSA-N 1 0 280.271 2.937 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1Cl ZINC000700636529 780711002 /nfs/dbraw/zinc/71/10/02/780711002.db2.gz WRCBAMHLMFVOPG-NEPJUHHUSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000701051561 780751886 /nfs/dbraw/zinc/75/18/86/780751886.db2.gz ZTQXDKCPROEPEI-QOBXEIRBSA-N 1 0 282.315 2.635 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000708664453 781277424 /nfs/dbraw/zinc/27/74/24/781277424.db2.gz QELYFDJDRUCRKD-SDDRHHMPSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2c(Cl)cccc12 ZINC001230776478 781871383 /nfs/dbraw/zinc/87/13/83/781871383.db2.gz QOOPOLLMVHIAJJ-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO Cc1c(C[N@H+](C)CCc2ccccn2)cccc1[N+](=O)[O-] ZINC000124377532 187134686 /nfs/dbraw/zinc/13/46/86/187134686.db2.gz OETDSKOEUJJAFZ-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594513530 349437561 /nfs/dbraw/zinc/43/75/61/349437561.db2.gz ZOBSVEVDUXCFHZ-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cs1 ZINC000594519793 349440136 /nfs/dbraw/zinc/44/01/36/349440136.db2.gz LLUNGPIOVYNTER-STQMWFEESA-N 1 0 295.408 2.763 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594519621 349440306 /nfs/dbraw/zinc/44/03/06/349440306.db2.gz XDEZZIRJXNJOJP-GFCCVEGCSA-N 1 0 271.320 2.711 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cs1 ZINC000594519792 349440327 /nfs/dbraw/zinc/44/03/27/349440327.db2.gz LLUNGPIOVYNTER-QWHCGFSZSA-N 1 0 295.408 2.763 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000594593891 349454717 /nfs/dbraw/zinc/45/47/17/349454717.db2.gz GGPZFYXDGIAGOP-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000594721190 349480532 /nfs/dbraw/zinc/48/05/32/349480532.db2.gz MLVMNILAUZRSKH-JOYOIKCWSA-N 1 0 286.278 2.670 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CO1 ZINC000594925999 349512329 /nfs/dbraw/zinc/51/23/29/349512329.db2.gz RBGMEYBXZMSMCD-ZKYQVNSYSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000127743242 187330208 /nfs/dbraw/zinc/33/02/08/187330208.db2.gz WDYWZBYQKHVAPF-GFCCVEGCSA-N 1 0 276.336 2.901 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594956592 349528599 /nfs/dbraw/zinc/52/85/99/349528599.db2.gz LROJOZWCGUJPCZ-CYBMUJFWSA-N 1 0 277.368 2.557 20 5 CFBDRO COc1ccc(C[NH2+]CCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000594975222 349537156 /nfs/dbraw/zinc/53/71/56/349537156.db2.gz NHEGWPCHHUUELR-UHFFFAOYSA-N 1 0 296.367 2.898 20 5 CFBDRO CCSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594983753 349538725 /nfs/dbraw/zinc/53/87/25/349538725.db2.gz FBJKIMHQBDAKAS-UHFFFAOYSA-N 1 0 266.366 2.970 20 5 CFBDRO CC1(C)[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000594991329 349541500 /nfs/dbraw/zinc/54/15/00/349541500.db2.gz HGRKYUVTGPEXSA-LLVKDONJSA-N 1 0 270.279 2.976 20 5 CFBDRO Cc1c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000273085599 192038278 /nfs/dbraw/zinc/03/82/78/192038278.db2.gz RQPRIYVHPOOSLP-CVEARBPZSA-N 1 0 290.363 2.950 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000595034515 349558287 /nfs/dbraw/zinc/55/82/87/349558287.db2.gz WMRZKIJLNSMRFF-RYUDHWBXSA-N 1 0 294.351 2.681 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594996005 349541900 /nfs/dbraw/zinc/54/19/00/349541900.db2.gz QCEQXJAWPHIUAZ-CYSMCQCQSA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000594997192 349543021 /nfs/dbraw/zinc/54/30/21/349543021.db2.gz ZCXJHAPHVYGKGI-ZDUSSCGKSA-N 1 0 278.352 2.808 20 5 CFBDRO COc1cc(C[NH2+]C2CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000594998484 349543118 /nfs/dbraw/zinc/54/31/18/349543118.db2.gz HXNPQDHIFUCLGC-UHFFFAOYSA-N 1 0 294.351 2.890 20 5 CFBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000594996945 349543271 /nfs/dbraw/zinc/54/32/71/349543271.db2.gz VZPCESMOKRCYFZ-HOSRBBHYSA-N 1 0 286.335 2.692 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+](C)C(C)C ZINC000595042871 349561696 /nfs/dbraw/zinc/56/16/96/349561696.db2.gz SXKNHGXWJMCVGP-LBPRGKRZSA-N 1 0 295.383 2.594 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000595045505 349562714 /nfs/dbraw/zinc/56/27/14/349562714.db2.gz MZRXCYYWYVUZEN-MJVIPROJSA-N 1 0 294.351 2.679 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000595048771 349563824 /nfs/dbraw/zinc/56/38/24/349563824.db2.gz NCMLTOHKFGJQSG-GXFFZTMASA-N 1 0 276.336 2.739 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCC1 ZINC000595056184 349568725 /nfs/dbraw/zinc/56/87/25/349568725.db2.gz CDVPHOBDPUDLCD-WFASDCNBSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@H]([NH2+]CC[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000595058995 349570313 /nfs/dbraw/zinc/57/03/13/349570313.db2.gz DZUKUYFYGHUNML-GJZGRUSLSA-N 1 0 296.367 2.687 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595037099 349559230 /nfs/dbraw/zinc/55/92/30/349559230.db2.gz BOGPGTFIXSONEW-JQWIXIFHSA-N 1 0 282.340 2.679 20 5 CFBDRO C[C@H](CSCCF)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000595036927 349559314 /nfs/dbraw/zinc/55/93/14/349559314.db2.gz XLWQCMFTOXOVHY-LLVKDONJSA-N 1 0 286.372 2.818 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000595039544 349559892 /nfs/dbraw/zinc/55/98/92/349559892.db2.gz GQRYVTPGHPKBQY-AXFHLTTASA-N 1 0 282.340 2.677 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595087728 349577052 /nfs/dbraw/zinc/57/70/52/349577052.db2.gz COWCOKJGRLRHBX-YPMHNXCESA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595091020 349578680 /nfs/dbraw/zinc/57/86/80/349578680.db2.gz QWGOVPFCIOGMHZ-GLQYFDAESA-N 1 0 290.363 2.857 20 5 CFBDRO CCC[C@@H]([NH2+]C/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595069846 349573590 /nfs/dbraw/zinc/57/35/90/349573590.db2.gz LMMZITCPTAAUON-RDFMZFSFSA-N 1 0 264.325 2.574 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000595070990 349574154 /nfs/dbraw/zinc/57/41/54/349574154.db2.gz WWTATBTUQDRNEN-RYUDHWBXSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595325416 349602591 /nfs/dbraw/zinc/60/25/91/349602591.db2.gz HUAJXNVPVVEVLL-QWRGUYRKSA-N 1 0 265.313 2.656 20 5 CFBDRO Cc1noc(C[N@@H+](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000595289678 349590657 /nfs/dbraw/zinc/59/06/57/349590657.db2.gz HACCWWXQBPLULF-UHFFFAOYSA-N 1 0 255.318 2.758 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595291939 349592470 /nfs/dbraw/zinc/59/24/70/349592470.db2.gz YHQXQIKJHRHVLT-MWLCHTKSSA-N 1 0 267.329 2.902 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000595293803 349594153 /nfs/dbraw/zinc/59/41/53/349594153.db2.gz AWDMIXDGAKWDMK-NSHDSACASA-N 1 0 294.326 2.735 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595306109 349598083 /nfs/dbraw/zinc/59/80/83/349598083.db2.gz KTDQLXHHDOXSFY-UHFFFAOYSA-N 1 0 295.358 2.650 20 5 CFBDRO CCC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595339900 349605634 /nfs/dbraw/zinc/60/56/34/349605634.db2.gz RBDCHPTZUFIEAI-LLVKDONJSA-N 1 0 267.329 2.903 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)C1CCCCC1 ZINC000595389830 349614234 /nfs/dbraw/zinc/61/42/34/349614234.db2.gz QANWZGSLFHMPNR-UHFFFAOYSA-N 1 0 296.342 2.861 20 5 CFBDRO Cc1noc(C[N@H+](C)C[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000595424410 349621674 /nfs/dbraw/zinc/62/16/74/349621674.db2.gz IEJMXIWQBPQFBJ-LLVKDONJSA-N 1 0 265.313 2.679 20 5 CFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595438784 349625696 /nfs/dbraw/zinc/62/56/96/349625696.db2.gz BIYQNFGSDGEBEV-QWRGUYRKSA-N 1 0 267.329 2.950 20 5 CFBDRO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000125498403 187187865 /nfs/dbraw/zinc/18/78/65/187187865.db2.gz UNYSXWWYYRNWQI-LBPRGKRZSA-N 1 0 291.351 2.574 20 5 CFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595454364 349631778 /nfs/dbraw/zinc/63/17/78/349631778.db2.gz KHKUYCQTBOFJLO-ZJUUUORDSA-N 1 0 253.302 2.560 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000595473737 349637666 /nfs/dbraw/zinc/63/76/66/349637666.db2.gz BGOZTBLLEFQUQC-HIFRSBDPSA-N 1 0 294.326 2.877 20 5 CFBDRO Cc1noc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595504673 349644919 /nfs/dbraw/zinc/64/49/19/349644919.db2.gz GHTFDKPETIOBDZ-WDEREUQCSA-N 1 0 279.340 2.902 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595506005 349645571 /nfs/dbraw/zinc/64/55/71/349645571.db2.gz YGJBAISRFYJULW-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO Cc1noc(C[NH2+]C2(C3CCC3)CCC2)c1[N+](=O)[O-] ZINC000595540451 349654596 /nfs/dbraw/zinc/65/45/96/349654596.db2.gz QIDOEBMITNICTR-UHFFFAOYSA-N 1 0 265.313 2.704 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459637252 534927496 /nfs/dbraw/zinc/92/74/96/534927496.db2.gz RXBAXIOWMNTYMY-BJHJDKERSA-N 1 0 282.315 2.780 20 5 CFBDRO C[C@@H]1COC2(CCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595680006 349698223 /nfs/dbraw/zinc/69/82/23/349698223.db2.gz GCABWUQLDIRWQZ-CYBMUJFWSA-N 1 0 290.363 2.781 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595703508 349710538 /nfs/dbraw/zinc/71/05/38/349710538.db2.gz SXSHECXXOZKTHR-IAQYHMDHSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595807576 349736902 /nfs/dbraw/zinc/73/69/02/349736902.db2.gz KPWFFNMUTQWHGG-STQMWFEESA-N 1 0 276.336 2.706 20 5 CFBDRO Cc1noc(C[NH2+][C@H](C)C2CCC(F)CC2)c1[N+](=O)[O-] ZINC000595822585 349743227 /nfs/dbraw/zinc/74/32/27/349743227.db2.gz WYIGAHKZNZPHDG-MFAVDMRSSA-N 1 0 285.319 2.898 20 5 CFBDRO CC[C@H]([NH2+]C1CCN(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421872848 529584816 /nfs/dbraw/zinc/58/48/16/529584816.db2.gz HHBJCKWQXJIQOU-HNNXBMFYSA-N 1 0 293.367 2.661 20 5 CFBDRO Cc1cc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596056306 349783750 /nfs/dbraw/zinc/78/37/50/349783750.db2.gz RDKQEVIMBAGARW-UHFFFAOYSA-N 1 0 271.386 2.964 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CCOCCF)c2cc([N+](=O)[O-])ccc21 ZINC000596092271 349792884 /nfs/dbraw/zinc/79/28/84/349792884.db2.gz DITFXXGMLHUZMC-AWEZNQCLSA-N 1 0 296.342 2.893 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596092467 349792906 /nfs/dbraw/zinc/79/29/06/349792906.db2.gz WCWHSSVIGFNPDP-VIFPVBQESA-N 1 0 267.354 2.613 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(CO)CC1 ZINC000273889455 192350859 /nfs/dbraw/zinc/35/08/59/192350859.db2.gz VCWXRRCRSRROMA-LBPRGKRZSA-N 1 0 278.352 2.750 20 5 CFBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596097998 349794666 /nfs/dbraw/zinc/79/46/66/349794666.db2.gz MHVIBVVSUDREIU-QMMMGPOBSA-N 1 0 257.359 2.717 20 5 CFBDRO CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000126322874 187232320 /nfs/dbraw/zinc/23/23/20/187232320.db2.gz DDNNQKYLMLJQOH-UHFFFAOYSA-N 1 0 260.240 2.648 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173293949 529690701 /nfs/dbraw/zinc/69/07/01/529690701.db2.gz AYMUOJMWUSPGHA-NSHDSACASA-N 1 0 282.340 2.713 20 5 CFBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000072873800 346945603 /nfs/dbraw/zinc/94/56/03/346945603.db2.gz XDDLOZUKCUZFBZ-RYUDHWBXSA-N 1 0 291.351 2.511 20 5 CFBDRO CC/C=C/C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295019075 199303559 /nfs/dbraw/zinc/30/35/59/199303559.db2.gz NBKKKNMXWACNTP-ITKZLYELSA-N 1 0 291.351 2.868 20 5 CFBDRO CCc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414281817 529756990 /nfs/dbraw/zinc/75/69/90/529756990.db2.gz CBDHVKRZLAVDAU-LLVKDONJSA-N 1 0 286.335 2.798 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596204832 349826578 /nfs/dbraw/zinc/82/65/78/349826578.db2.gz ZAFFYBVCDGFISG-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295066095 199327397 /nfs/dbraw/zinc/32/73/97/199327397.db2.gz QOOGBFVLTASEOO-GOOCMWNKSA-N 1 0 289.379 2.618 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000290543233 197744188 /nfs/dbraw/zinc/74/41/88/197744188.db2.gz AQWLURZJKGGGGT-LLVKDONJSA-N 1 0 280.372 2.709 20 5 CFBDRO Cc1ccnc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596307347 349858437 /nfs/dbraw/zinc/85/84/37/349858437.db2.gz KXEVFMHYCFRDFQ-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596308769 349858806 /nfs/dbraw/zinc/85/88/06/349858806.db2.gz UGVKJJWUSMDURT-SNVBAGLBSA-N 1 0 298.774 2.928 20 5 CFBDRO C[N@H+](CCCCNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000413348162 529884359 /nfs/dbraw/zinc/88/43/59/529884359.db2.gz NNMRJSWXFVBVGR-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1cc(NCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000074727060 347028919 /nfs/dbraw/zinc/02/89/19/347028919.db2.gz YRTPIRKYRYXEOV-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO Cc1cnc(N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596487879 349916976 /nfs/dbraw/zinc/91/69/76/349916976.db2.gz LCUUXSJJJODWHY-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO COC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075587475 347085795 /nfs/dbraw/zinc/08/57/95/347085795.db2.gz VEMUVQYWELUYCM-NSHDSACASA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1c(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000173610613 232278504 /nfs/dbraw/zinc/27/85/04/232278504.db2.gz WNTWFCWSNSUFSB-QWRGUYRKSA-N 1 0 291.351 2.715 20 5 CFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000596558116 349941445 /nfs/dbraw/zinc/94/14/45/349941445.db2.gz NQXXYASJJJJMHB-OAHLLOKOSA-N 1 0 298.346 2.676 20 5 CFBDRO CCCC[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027272382 346268408 /nfs/dbraw/zinc/26/84/08/346268408.db2.gz GYOPVFCNUVDLAX-UHFFFAOYSA-N 1 0 279.340 2.655 20 5 CFBDRO CCCC[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000027272476 346268743 /nfs/dbraw/zinc/26/87/43/346268743.db2.gz ABNZSHKOCCIHNB-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000046600276 346430004 /nfs/dbraw/zinc/43/00/04/346430004.db2.gz XSZCXRHLMJMBHR-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CCC1(CO)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000270714331 190784451 /nfs/dbraw/zinc/78/44/51/190784451.db2.gz CIJVTAGXLWRDQD-UHFFFAOYSA-N 1 0 292.379 2.888 20 5 CFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000057148225 346619749 /nfs/dbraw/zinc/61/97/49/346619749.db2.gz ZXPJQWHVFCUUJI-JHJVBQTASA-N 1 0 292.383 2.768 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000058563805 346646257 /nfs/dbraw/zinc/64/62/57/346646257.db2.gz ADORJVGKMILDHD-BETUJISGSA-N 1 0 278.352 2.952 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000058581388 346646784 /nfs/dbraw/zinc/64/67/84/346646784.db2.gz XOIRFSSITILFNN-UHFFFAOYSA-N 1 0 278.356 2.522 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C ZINC000066560002 346767417 /nfs/dbraw/zinc/76/74/17/346767417.db2.gz LZLKCJHQORSEEJ-NSHDSACASA-N 1 0 264.325 2.978 20 5 CFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000065533902 346736116 /nfs/dbraw/zinc/73/61/16/346736116.db2.gz YHJCXTMCEYYWIM-UHFFFAOYSA-N 1 0 296.367 2.578 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000066796378 346779882 /nfs/dbraw/zinc/77/98/82/346779882.db2.gz YJAQEAFOJCKHJN-CQSZACIVSA-N 1 0 286.335 2.705 20 5 CFBDRO CCO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076407123 347138352 /nfs/dbraw/zinc/13/83/52/347138352.db2.gz DXNUEEZOLXFUND-AWEZNQCLSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000078576421 347262430 /nfs/dbraw/zinc/26/24/30/347262430.db2.gz DQXYOTWIEWBKSH-CYBMUJFWSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078583814 347263787 /nfs/dbraw/zinc/26/37/87/347263787.db2.gz LGHSVVPFWPHYPR-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1cnc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078653867 347267152 /nfs/dbraw/zinc/26/71/52/347267152.db2.gz GJRPAACPZZBCIX-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000079914519 347331401 /nfs/dbraw/zinc/33/14/01/347331401.db2.gz HWHZTPYRRGIAJK-LBPRGKRZSA-N 1 0 263.341 2.881 20 5 CFBDRO CC[NH+](CC)CCSc1cc(C)c([N+](=O)[O-])cn1 ZINC000081006139 347396076 /nfs/dbraw/zinc/39/60/76/347396076.db2.gz UBSNNDFLZLWASU-UHFFFAOYSA-N 1 0 269.370 2.732 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207732 347449678 /nfs/dbraw/zinc/44/96/78/347449678.db2.gz VLVNFKNYPLRKHE-NXEZZACHSA-N 1 0 275.308 2.966 20 5 CFBDRO Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000085688240 347482534 /nfs/dbraw/zinc/48/25/34/347482534.db2.gz ISCPASWQKZJKOH-LLVKDONJSA-N 1 0 280.372 2.686 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000088718663 347507820 /nfs/dbraw/zinc/50/78/20/347507820.db2.gz PLCBNWBWGWYJSW-ZDUSSCGKSA-N 1 0 275.352 2.578 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000090909959 347561588 /nfs/dbraw/zinc/56/15/88/347561588.db2.gz AEPUEPOJPFFVOZ-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000090998411 347564287 /nfs/dbraw/zinc/56/42/87/347564287.db2.gz HVPBAMSTQLCUCG-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO CCOc1cc(NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000092649036 347636428 /nfs/dbraw/zinc/63/64/28/347636428.db2.gz KXYDYKGUOHPIRG-UHFFFAOYSA-N 1 0 281.356 2.794 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668219 347639150 /nfs/dbraw/zinc/63/91/50/347639150.db2.gz YBPHWFIIWISYEU-GXTWGEPZSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC000127861303 347844895 /nfs/dbraw/zinc/84/48/95/347844895.db2.gz MWVBLFJSFGDNMB-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000152857767 347971018 /nfs/dbraw/zinc/97/10/18/347971018.db2.gz QSVXOCVYGZQQEF-BETUJISGSA-N 1 0 276.336 2.706 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000153742073 347974827 /nfs/dbraw/zinc/97/48/27/347974827.db2.gz SZUBGQSIPWHMOV-NSHDSACASA-N 1 0 296.758 2.539 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000119603399 539594118 /nfs/dbraw/zinc/59/41/18/539594118.db2.gz MWSAICZHBASALX-LLVKDONJSA-N 1 0 299.330 2.545 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157778070 348002243 /nfs/dbraw/zinc/00/22/43/348002243.db2.gz NLVZJEUETWZWOT-WFASDCNBSA-N 1 0 289.379 2.730 20 5 CFBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000157738427 348002772 /nfs/dbraw/zinc/00/27/72/348002772.db2.gz XEKUSXXUBCVJKW-GHMZBOCLSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1C ZINC000154653868 347981870 /nfs/dbraw/zinc/98/18/70/347981870.db2.gz SITULRXRYKONLL-ZFWWWQNUSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000169243709 348050178 /nfs/dbraw/zinc/05/01/78/348050178.db2.gz CWOZNAMUXPSUSR-INIZCTEOSA-N 1 0 286.331 2.592 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883655 348208773 /nfs/dbraw/zinc/20/87/73/348208773.db2.gz GORWNTTWYFPJDV-JOYOIKCWSA-N 1 0 266.366 2.887 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000231884466 348209905 /nfs/dbraw/zinc/20/99/05/348209905.db2.gz ONLLPXMFKYTVBT-KBPBESRZSA-N 1 0 278.352 2.950 20 5 CFBDRO CC(C)COCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000232667820 348212772 /nfs/dbraw/zinc/21/27/72/348212772.db2.gz ZSIZXSLYJSYFGI-UHFFFAOYSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(C3CC3)CC2)cc1 ZINC000236413165 348233834 /nfs/dbraw/zinc/23/38/34/348233834.db2.gz JYQCSDILCWWEKW-UHFFFAOYSA-N 1 0 260.337 2.917 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000252006922 348294728 /nfs/dbraw/zinc/29/47/28/348294728.db2.gz PJMINGMCHJCHFT-JTQLQIEISA-N 1 0 264.325 2.834 20 5 CFBDRO Cc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000280553624 348341315 /nfs/dbraw/zinc/34/13/15/348341315.db2.gz KFMXPQXREIRHOJ-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000273360234 192125554 /nfs/dbraw/zinc/12/55/54/192125554.db2.gz DBPJWXSRIYXJMV-CHWSQXEVSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000315337780 348428563 /nfs/dbraw/zinc/42/85/63/348428563.db2.gz NHRYYIRGDARYIQ-GFCCVEGCSA-N 1 0 298.346 2.792 20 5 CFBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000328389797 348440816 /nfs/dbraw/zinc/44/08/16/348440816.db2.gz XNROHDRYFHBZBL-GXTWGEPZSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000320036048 348435321 /nfs/dbraw/zinc/43/53/21/348435321.db2.gz CCQBWEAFCUFJJD-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCCC2)c(F)c1 ZINC000313842956 348424084 /nfs/dbraw/zinc/42/40/84/348424084.db2.gz QKSOBEMSUHUKSB-UHFFFAOYSA-N 1 0 296.342 2.766 20 5 CFBDRO C[NH+](C)CCSc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413188507 233031687 /nfs/dbraw/zinc/03/16/87/233031687.db2.gz UVKYNZLWVDBUGY-UHFFFAOYSA-N 1 0 295.286 2.662 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402280832 348581711 /nfs/dbraw/zinc/58/17/11/348581711.db2.gz GBLJBVSTVTYREI-NTZNESFSSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1c(CNc2cc(NC3CC3)ncn2)cccc1[N+](=O)[O-] ZINC000413261430 233042889 /nfs/dbraw/zinc/04/28/89/233042889.db2.gz KMSGBYDRONYQRL-UHFFFAOYSA-N 1 0 299.334 2.880 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000587973647 348763398 /nfs/dbraw/zinc/76/33/98/348763398.db2.gz BTSGEYYKXAHUTD-NSHDSACASA-N 1 0 279.315 2.630 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000589189360 348817985 /nfs/dbraw/zinc/81/79/85/348817985.db2.gz SWECOVGWZQCQQQ-FSBNRTBOSA-N 1 0 278.352 2.965 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCC2CC2)c1 ZINC000589505087 348837336 /nfs/dbraw/zinc/83/73/36/348837336.db2.gz ALMFIBAVRYWQEU-UHFFFAOYSA-N 1 0 292.335 2.613 20 5 CFBDRO CCOc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590569636 348909881 /nfs/dbraw/zinc/90/98/81/348909881.db2.gz POIKQDRMJWUFIJ-YPMHNXCESA-N 1 0 293.367 2.522 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000590595416 348912127 /nfs/dbraw/zinc/91/21/27/348912127.db2.gz NTDRARFYSXXDLO-GDBMZVCRSA-N 1 0 290.363 2.685 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658805 348923472 /nfs/dbraw/zinc/92/34/72/348923472.db2.gz VSEUJIVTCZJHBR-MNOVXSKESA-N 1 0 292.335 2.502 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC2(C1)CCCOC2 ZINC000590969231 348974601 /nfs/dbraw/zinc/97/46/01/348974601.db2.gz WDMLTZZATUHYKS-UHFFFAOYSA-N 1 0 276.336 2.516 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000591266028 349005006 /nfs/dbraw/zinc/00/50/06/349005006.db2.gz OGNXQRZYQYANIO-WCBMZHEXSA-N 1 0 256.252 2.728 20 5 CFBDRO CC(C)c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591281915 349006299 /nfs/dbraw/zinc/00/62/99/349006299.db2.gz VGJVNWLMOGZLJE-STQMWFEESA-N 1 0 295.358 2.508 20 5 CFBDRO CC(C)(CO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348282 349010819 /nfs/dbraw/zinc/01/08/19/349010819.db2.gz KNTOHHCRFOVFGJ-OAHLLOKOSA-N 1 0 292.379 2.970 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591435544 349021322 /nfs/dbraw/zinc/02/13/22/349021322.db2.gz IYYULBJGEQOZHQ-PHIMTYICSA-N 1 0 281.743 2.579 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447864 349023520 /nfs/dbraw/zinc/02/35/20/349023520.db2.gz BCGJBKJHARYLSU-HEHGZKQESA-N 1 0 289.379 2.648 20 5 CFBDRO Cn1cc(C[NH2+]C2CC=CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591501546 349027381 /nfs/dbraw/zinc/02/73/81/349027381.db2.gz OISSKPCHAVWOQL-UHFFFAOYSA-N 1 0 298.346 2.804 20 5 CFBDRO CC[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578058 349031605 /nfs/dbraw/zinc/03/16/05/349031605.db2.gz RMQICNLSZWJXNQ-DZGCQCFKSA-N 1 0 277.368 2.778 20 5 CFBDRO Cc1ccc([C@H](C)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591578076 349032189 /nfs/dbraw/zinc/03/21/89/349032189.db2.gz VSKVECXCIIYVRN-JSGCOSHPSA-N 1 0 277.368 2.696 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000591641889 349036025 /nfs/dbraw/zinc/03/60/25/349036025.db2.gz PAUQTQUZWGJKCF-GFCCVEGCSA-N 1 0 264.325 2.597 20 5 CFBDRO O=[N+]([O-])c1cccc(/C=C/c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592357462 349108518 /nfs/dbraw/zinc/10/85/18/349108518.db2.gz GCCABFCGASKLBJ-SYTKJHMZSA-N 1 0 286.291 2.573 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000592363856 349109941 /nfs/dbraw/zinc/10/99/41/349109941.db2.gz KBPMDVGZQRLKKE-JSGCOSHPSA-N 1 0 278.352 2.685 20 5 CFBDRO CC(C)[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592432505 349119452 /nfs/dbraw/zinc/11/94/52/349119452.db2.gz NSKOHRGQZKIJIX-ZQMJAJRESA-N 1 0 289.379 2.538 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593017822 349187928 /nfs/dbraw/zinc/18/79/28/349187928.db2.gz BQJPRNJIJWJFFM-GHMZBOCLSA-N 1 0 294.351 2.906 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593114565 349212563 /nfs/dbraw/zinc/21/25/63/349212563.db2.gz CYQUNPINAFFBMN-ZDUSSCGKSA-N 1 0 282.290 2.868 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000593668493 349307520 /nfs/dbraw/zinc/30/75/20/349307520.db2.gz LQTFTPCURNDHSH-INIZCTEOSA-N 1 0 290.363 2.890 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593676881 349308629 /nfs/dbraw/zinc/30/86/29/349308629.db2.gz OJMZJXNFPLDDOU-ZDUSSCGKSA-N 1 0 292.379 2.744 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593682503 349309692 /nfs/dbraw/zinc/30/96/92/349309692.db2.gz QUVLDMRSCHUCGO-GFCCVEGCSA-N 1 0 278.352 2.808 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)CCO ZINC000593693819 349310610 /nfs/dbraw/zinc/31/06/10/349310610.db2.gz FHIACMHWICFYNY-KIWPFMIBSA-N 1 0 278.352 2.701 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719052 349314737 /nfs/dbraw/zinc/31/47/37/349314737.db2.gz UKSDXGSPXCJAOE-OCCSQVGLSA-N 1 0 284.331 2.746 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597048556 350020790 /nfs/dbraw/zinc/02/07/90/350020790.db2.gz WUKKKURICMJEMU-PSOPSSQASA-N 1 0 276.336 2.813 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000597113368 350030915 /nfs/dbraw/zinc/03/09/15/350030915.db2.gz MXXWTOMKLMTNSO-ZFWWWQNUSA-N 1 0 276.336 2.560 20 5 CFBDRO COCCC1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597183630 350046968 /nfs/dbraw/zinc/04/69/68/350046968.db2.gz ODWPXZVNBBBMKZ-XQRVVYSFSA-N 1 0 276.336 2.576 20 5 CFBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000597234838 350066754 /nfs/dbraw/zinc/06/67/54/350066754.db2.gz BVTCFAXWPLZEJP-MOCUHTECSA-N 1 0 290.363 2.558 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414517839 233278952 /nfs/dbraw/zinc/27/89/52/233278952.db2.gz RKWBOXVAXRFFPA-BZPMIXESSA-N 1 0 278.352 2.806 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104687440 186013819 /nfs/dbraw/zinc/01/38/19/186013819.db2.gz BUICIXSNGXWFMM-LLVKDONJSA-N 1 0 279.340 2.572 20 5 CFBDRO C[C@@H]([NH3+])c1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000414808539 233359877 /nfs/dbraw/zinc/35/98/77/233359877.db2.gz KXJUFTLASXOIGN-SNVBAGLBSA-N 1 0 291.376 2.966 20 5 CFBDRO Cc1ccc(CN[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414832829 233372146 /nfs/dbraw/zinc/37/21/46/233372146.db2.gz DYOVMLVGKUTRTN-OAHLLOKOSA-N 1 0 291.395 2.900 20 5 CFBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598678430 350308113 /nfs/dbraw/zinc/30/81/13/350308113.db2.gz YBIQWMLHXYQHHZ-AVXNYWLKSA-N 1 0 290.363 2.558 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058454 350367581 /nfs/dbraw/zinc/36/75/81/350367581.db2.gz MGCNXJSRARZNGX-UHFFFAOYSA-N 1 0 274.324 2.553 20 5 CFBDRO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC000598987733 350355007 /nfs/dbraw/zinc/35/50/07/350355007.db2.gz VPHMFPRBKMZZAZ-AWEZNQCLSA-N 1 0 298.342 2.997 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598996375 350356204 /nfs/dbraw/zinc/35/62/04/350356204.db2.gz HHLPKKBXLHAFTE-OSZGCLPASA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599000841 350357465 /nfs/dbraw/zinc/35/74/65/350357465.db2.gz XPWGPDWRAPTFHD-FJJYHAOUSA-N 1 0 278.352 2.805 20 5 CFBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCCO1 ZINC000599038887 350362639 /nfs/dbraw/zinc/36/26/39/350362639.db2.gz VVASKHYOAMKRCO-NSHDSACASA-N 1 0 287.319 2.758 20 5 CFBDRO COc1cccnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599074376 350371800 /nfs/dbraw/zinc/37/18/00/350371800.db2.gz RACWBQHSUAGOGX-UHFFFAOYSA-N 1 0 287.319 2.677 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599086281 350373561 /nfs/dbraw/zinc/37/35/61/350373561.db2.gz ZXUPZNVWNMJOEM-PJODQICGSA-N 1 0 288.347 2.739 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599092667 350374022 /nfs/dbraw/zinc/37/40/22/350374022.db2.gz RISADKUIIXIULO-GYSYKLTISA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H](CCO)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599087184 350374222 /nfs/dbraw/zinc/37/42/22/350374222.db2.gz XQHWPFLVOCSESR-NSHDSACASA-N 1 0 289.335 2.964 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599090582 350374474 /nfs/dbraw/zinc/37/44/74/350374474.db2.gz FJPSPWKVNIMGHY-UHIISALHSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1c(NC[C@@H](O)C2CCC2)ccc2cnccc21 ZINC000599086978 350374524 /nfs/dbraw/zinc/37/45/24/350374524.db2.gz DLGYJBCZCTVTJJ-CQSZACIVSA-N 1 0 287.319 2.716 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599093600 350375295 /nfs/dbraw/zinc/37/52/95/350375295.db2.gz SKKLWICOSPZMCC-DRZSPHRISA-N 1 0 264.325 2.731 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+](C1CC1)C1CC1 ZINC000599599071 350462155 /nfs/dbraw/zinc/46/21/55/350462155.db2.gz HWRRNUYTAYDGOM-UHFFFAOYSA-N 1 0 262.309 2.730 20 5 CFBDRO COc1ccc(OCC[NH+](C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000599599599 350463666 /nfs/dbraw/zinc/46/36/66/350463666.db2.gz MTXRBBNLUOCCNQ-UHFFFAOYSA-N 1 0 292.335 2.609 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000599627822 350467189 /nfs/dbraw/zinc/46/71/89/350467189.db2.gz ZPPAFSQPKFXLRW-ZFVXVEAMSA-N 1 0 278.352 2.805 20 5 CFBDRO CCOc1cc(NCC[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000107039776 186156853 /nfs/dbraw/zinc/15/68/53/186156853.db2.gz PQFZYZWRSPFIGZ-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO CC[C@@H](C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000600168643 350528519 /nfs/dbraw/zinc/52/85/19/350528519.db2.gz LLMSHZVEXBSPCX-STMXVASLSA-N 1 0 278.352 2.701 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600677244 350595567 /nfs/dbraw/zinc/59/55/67/350595567.db2.gz CUQVZTJVDSVKGW-LSDHHAIUSA-N 1 0 291.395 2.948 20 5 CFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000600678451 350596680 /nfs/dbraw/zinc/59/66/80/350596680.db2.gz PWJILAFESWVCQM-VHDGCEQUSA-N 1 0 291.395 2.646 20 5 CFBDRO C[C@@H]1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[NH2+]1 ZINC000600708228 350599309 /nfs/dbraw/zinc/59/93/09/350599309.db2.gz DQZHWHRAFDXUAV-KFNAQCHYSA-N 1 0 289.379 2.702 20 5 CFBDRO CC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600711059 350599434 /nfs/dbraw/zinc/59/94/34/350599434.db2.gz QOMWAZCFYQBGTD-ZLDLUXBVSA-N 1 0 277.368 2.776 20 5 CFBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709674 350599461 /nfs/dbraw/zinc/59/94/61/350599461.db2.gz PKNRTKSMACNYDX-FZMZJTMJSA-N 1 0 275.352 2.530 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109544247 186261299 /nfs/dbraw/zinc/26/12/99/186261299.db2.gz OJSJJBNFRPQCBX-AAEUAGOBSA-N 1 0 264.325 2.733 20 5 CFBDRO CC[C@@H]1[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C ZINC000600892041 350624404 /nfs/dbraw/zinc/62/44/04/350624404.db2.gz BLUBUAYSCBCRMB-WCQYABFASA-N 1 0 291.351 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2cccc(C[C@H]3CC[NH2+]C3)c2)cn1 ZINC000600789037 350612274 /nfs/dbraw/zinc/61/22/74/350612274.db2.gz PPTLBAYKLZOYMA-CYBMUJFWSA-N 1 0 283.331 2.809 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000109792720 186272994 /nfs/dbraw/zinc/27/29/94/186272994.db2.gz BFJOFFOPHFTFKQ-UHFFFAOYSA-N 1 0 286.335 2.628 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793047 186325470 /nfs/dbraw/zinc/32/54/70/186325470.db2.gz MXCQMGMGOWOGKR-SNVBAGLBSA-N 1 0 267.304 2.536 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000601268345 350713048 /nfs/dbraw/zinc/71/30/48/350713048.db2.gz OWWRNZKCEKOUDK-QEJZJMRPSA-N 1 0 288.347 2.642 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000601149477 350681967 /nfs/dbraw/zinc/68/19/67/350681967.db2.gz MKLGOYLRXVXTKD-COPLHBTASA-N 1 0 294.351 2.649 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000601149228 350682000 /nfs/dbraw/zinc/68/20/00/350682000.db2.gz HUYRILUVRSJTNF-JTNHKYCSSA-N 1 0 264.325 2.559 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000601191472 350693202 /nfs/dbraw/zinc/69/32/02/350693202.db2.gz JYSOMJWCWYLAIK-LBPRGKRZSA-N 1 0 281.331 2.654 20 5 CFBDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111157312 186362882 /nfs/dbraw/zinc/36/28/82/186362882.db2.gz VMXJLPNDLZXXBB-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO CC(C)(F)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000601287575 350717794 /nfs/dbraw/zinc/71/77/94/350717794.db2.gz KCHFXMUSKXYKBB-LLVKDONJSA-N 1 0 252.289 2.920 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000601298493 350719107 /nfs/dbraw/zinc/71/91/07/350719107.db2.gz ITAPWFHTKTVRKU-CABZTGNLSA-N 1 0 288.294 2.570 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601976190 350822511 /nfs/dbraw/zinc/82/25/11/350822511.db2.gz OFOWNUSOOZMGGP-YEKRNXETSA-N 1 0 288.347 2.576 20 5 CFBDRO Cc1noc(CNc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000601935960 350808839 /nfs/dbraw/zinc/80/88/39/350808839.db2.gz VAWVTGVGJVLFNT-UHFFFAOYSA-N 1 0 290.323 2.565 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000111254400 186379742 /nfs/dbraw/zinc/37/97/42/186379742.db2.gz MWBGMJBKUUINCE-NSHDSACASA-N 1 0 293.367 2.820 20 5 CFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111275663 186386406 /nfs/dbraw/zinc/38/64/06/186386406.db2.gz GPSPAFHQLGLIAV-SWLSCSKDSA-N 1 0 278.352 2.637 20 5 CFBDRO CC(C)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)C ZINC000602480748 350900147 /nfs/dbraw/zinc/90/01/47/350900147.db2.gz JPDYGPLJORMBDO-UHFFFAOYSA-N 1 0 282.388 2.832 20 5 CFBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481243 350900566 /nfs/dbraw/zinc/90/05/66/350900566.db2.gz CGNOBKHWEIEQKF-WCQYABFASA-N 1 0 280.372 2.729 20 5 CFBDRO CO[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000602543316 350918424 /nfs/dbraw/zinc/91/84/24/350918424.db2.gz AOHDVRURHZMFGM-MRXNPFEDSA-N 1 0 292.379 2.932 20 5 CFBDRO CCOC1CC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000602548284 350919941 /nfs/dbraw/zinc/91/99/41/350919941.db2.gz DJAUQYDIKGEAJW-UHFFFAOYSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000602564574 350926746 /nfs/dbraw/zinc/92/67/46/350926746.db2.gz UNZLCDUVVPVACV-CYBMUJFWSA-N 1 0 285.347 2.926 20 5 CFBDRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602568305 350927480 /nfs/dbraw/zinc/92/74/80/350927480.db2.gz JJTXIMXKRDECRJ-KGLIPLIRSA-N 1 0 292.383 2.906 20 5 CFBDRO CS[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602572901 350929383 /nfs/dbraw/zinc/92/93/83/350929383.db2.gz USAHUURGKUHSLM-QMMMGPOBSA-N 1 0 281.337 2.577 20 5 CFBDRO CCOCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602580021 350932787 /nfs/dbraw/zinc/93/27/87/350932787.db2.gz DIIPNSUJEKNDEZ-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602441342 350883557 /nfs/dbraw/zinc/88/35/57/350883557.db2.gz CMCKAVUICRATMW-SMDDNHRTSA-N 1 0 293.367 2.536 20 5 CFBDRO O=c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c[nH]1 ZINC000602440641 350883671 /nfs/dbraw/zinc/88/36/71/350883671.db2.gz QTRWTBROCWXOEH-UHFFFAOYSA-N 1 0 299.330 2.860 20 5 CFBDRO Cn1cc(C[NH+]2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602456370 350889601 /nfs/dbraw/zinc/88/96/01/350889601.db2.gz YDRGPPXVXLHQIR-UHFFFAOYSA-N 1 0 280.372 2.586 20 5 CFBDRO CC[C@](C)(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000602659182 350964509 /nfs/dbraw/zinc/96/45/09/350964509.db2.gz OOVMQPVFIAABGI-OAHLLOKOSA-N 1 0 280.368 2.884 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCF)nc2c1 ZINC000602673783 350971758 /nfs/dbraw/zinc/97/17/58/350971758.db2.gz CJPXBXRVPIIQQR-UHFFFAOYSA-N 1 0 267.260 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000602693925 350982818 /nfs/dbraw/zinc/98/28/18/350982818.db2.gz JSMYHXDBHYJPIP-LSDHHAIUSA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccoc2)cc1 ZINC000602709657 350991878 /nfs/dbraw/zinc/99/18/78/350991878.db2.gz HSIRJCZVJKBWBZ-UHFFFAOYSA-N 1 0 260.293 2.563 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccco2)cc1 ZINC000602723132 351000349 /nfs/dbraw/zinc/00/03/49/351000349.db2.gz QQUKJYANFQVODS-UHFFFAOYSA-N 1 0 274.320 2.953 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000602769165 351019589 /nfs/dbraw/zinc/01/95/89/351019589.db2.gz RSMXBKGQTMJLFP-AWEZNQCLSA-N 1 0 292.383 2.754 20 5 CFBDRO C[C@H]1OCC[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602783707 351023454 /nfs/dbraw/zinc/02/34/54/351023454.db2.gz KTVPWFBFBLXUND-TZMCWYRMSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1cccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC000602804353 351032055 /nfs/dbraw/zinc/03/20/55/351032055.db2.gz FVYLFTNJXMAYNM-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807480 351033501 /nfs/dbraw/zinc/03/35/01/351033501.db2.gz AYEZXNBYFYBLIR-DGCLKSJQSA-N 1 0 280.372 2.777 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602807644 351034186 /nfs/dbraw/zinc/03/41/86/351034186.db2.gz ZJTUMXFSTCMHMU-MRVWCRGKSA-N 1 0 294.399 2.879 20 5 CFBDRO CCC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602811835 351035216 /nfs/dbraw/zinc/03/52/16/351035216.db2.gz ZAFFTZFXYWWCFA-CYBMUJFWSA-N 1 0 280.372 2.754 20 5 CFBDRO CCCC[C@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602835406 351040808 /nfs/dbraw/zinc/04/08/08/351040808.db2.gz AVJUTCKZLXZFMV-NSHDSACASA-N 1 0 268.361 2.610 20 5 CFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000602845202 351042624 /nfs/dbraw/zinc/04/26/24/351042624.db2.gz GHMQWUSOGQVUGQ-RYUDHWBXSA-N 1 0 280.372 2.514 20 5 CFBDRO CCC(C)(C)[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602880180 351056514 /nfs/dbraw/zinc/05/65/14/351056514.db2.gz NNIRXSCPTGBXEI-JTQLQIEISA-N 1 0 268.361 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602897424 351060333 /nfs/dbraw/zinc/06/03/33/351060333.db2.gz JFGDNGSBMKYYIM-HNNXBMFYSA-N 1 0 298.346 2.764 20 5 CFBDRO C/C=C/C[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602915305 351064495 /nfs/dbraw/zinc/06/44/95/351064495.db2.gz AHYCHUUIHPFDCH-RDFMZFSFSA-N 1 0 292.383 2.778 20 5 CFBDRO CC[C@]1(O)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602741852 351011090 /nfs/dbraw/zinc/01/10/90/351011090.db2.gz WJACGAAHNSGADI-WHWKNOJMSA-N 1 0 290.363 2.845 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC(C)(C)CO1 ZINC000602758942 351014839 /nfs/dbraw/zinc/01/48/39/351014839.db2.gz KBOBICQDCGCFCU-ZDUSSCGKSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@](CO)([NH2+]CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963053 351073324 /nfs/dbraw/zinc/07/33/24/351073324.db2.gz SITOQEFLGBGXTD-OAHLLOKOSA-N 1 0 278.352 2.582 20 5 CFBDRO CC[C@]1(O)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000602982205 351083811 /nfs/dbraw/zinc/08/38/11/351083811.db2.gz OYFQNFDCSJPVJW-DOMZBBRYSA-N 1 0 278.352 2.893 20 5 CFBDRO CC1(C)CC(Nc2cccnc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000603845222 351185743 /nfs/dbraw/zinc/18/57/43/351185743.db2.gz MKBDTKYWMXKEME-UHFFFAOYSA-N 1 0 278.356 2.711 20 5 CFBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000603847768 351185811 /nfs/dbraw/zinc/18/58/11/351185811.db2.gz RNTZQORTXNUVRG-LBPRGKRZSA-N 1 0 292.364 2.766 20 5 CFBDRO CCN(CC)c1ccc(Nc2cccnc2[N+](=O)[O-])cn1 ZINC000603861178 351187501 /nfs/dbraw/zinc/18/75/01/351187501.db2.gz RDBOGGOKXVYRSI-UHFFFAOYSA-N 1 0 287.323 2.975 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000604495109 351215648 /nfs/dbraw/zinc/21/56/48/351215648.db2.gz PJARYNFGGATLOY-GFCCVEGCSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609560659 351507159 /nfs/dbraw/zinc/50/71/59/351507159.db2.gz FRDILJPFJMQIHY-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000608866698 351479801 /nfs/dbraw/zinc/47/98/01/351479801.db2.gz SGDNVLLKSMTSCW-UHFFFAOYSA-N 1 0 298.342 2.901 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000608866639 351480506 /nfs/dbraw/zinc/48/05/06/351480506.db2.gz IRCCVWVYVKCLNO-UHFFFAOYSA-N 1 0 298.342 2.901 20 5 CFBDRO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609147418 351488937 /nfs/dbraw/zinc/48/89/37/351488937.db2.gz BSSGHKQXNDQYAC-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609157641 351489483 /nfs/dbraw/zinc/48/94/83/351489483.db2.gz MDLGODUZOGEURT-HNNXBMFYSA-N 1 0 286.335 2.628 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000610275125 351546592 /nfs/dbraw/zinc/54/65/92/351546592.db2.gz GZHSZPGSYOYZBV-LBPRGKRZSA-N 1 0 293.367 2.570 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000610279789 351547898 /nfs/dbraw/zinc/54/78/98/351547898.db2.gz BKFBYGCQWJGSEB-DTWKUNHWSA-N 1 0 255.343 2.551 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000610420532 351564959 /nfs/dbraw/zinc/56/49/59/351564959.db2.gz OCVBFUVQSCVNLE-DOMZBBRYSA-N 1 0 289.379 2.730 20 5 CFBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])s2)CCSC1 ZINC000610489214 351569428 /nfs/dbraw/zinc/56/94/28/351569428.db2.gz UJUTWLLARWKRCV-LLVKDONJSA-N 1 0 287.410 2.506 20 5 CFBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000610511323 351575587 /nfs/dbraw/zinc/57/55/87/351575587.db2.gz GEKNYOZGAYNTIN-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610517819 351576634 /nfs/dbraw/zinc/57/66/34/351576634.db2.gz WHCRDDHQGRKUPE-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000610821199 351612403 /nfs/dbraw/zinc/61/24/03/351612403.db2.gz ZQAJHVNWBNBKSY-LLVKDONJSA-N 1 0 274.324 2.786 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000610575709 351582300 /nfs/dbraw/zinc/58/23/00/351582300.db2.gz AFQFGZSSZVEEIB-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000610575730 351582732 /nfs/dbraw/zinc/58/27/32/351582732.db2.gz FLKKCZNDWDXLOE-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](CC(C)C)CC(C)C ZINC000610650715 351587374 /nfs/dbraw/zinc/58/73/74/351587374.db2.gz IDPXVOHBDVZMCB-UHFFFAOYSA-N 1 0 282.388 2.714 20 5 CFBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000610804172 351610594 /nfs/dbraw/zinc/61/05/94/351610594.db2.gz LVKOEXLFIHQVTA-HJHHMULASA-N 1 0 298.346 2.998 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000610804177 351610881 /nfs/dbraw/zinc/61/08/81/351610881.db2.gz LWCUIDTXGRYKSZ-STQMWFEESA-N 1 0 277.368 2.648 20 5 CFBDRO CC[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084669 351639275 /nfs/dbraw/zinc/63/92/75/351639275.db2.gz IQDVOUBFZPVQLO-JTQLQIEISA-N 1 0 283.759 2.779 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000611179815 351648305 /nfs/dbraw/zinc/64/83/05/351648305.db2.gz KNTCLVZQFOVXDH-JTQLQIEISA-N 1 0 286.278 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000611179941 351648906 /nfs/dbraw/zinc/64/89/06/351648906.db2.gz OFFXVWCJNFFYQK-JTQLQIEISA-N 1 0 256.252 2.682 20 5 CFBDRO CCN1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611222068 351652682 /nfs/dbraw/zinc/65/26/82/351652682.db2.gz WNUYNDIPNRRCQN-UWVGGRQHSA-N 1 0 298.774 2.562 20 5 CFBDRO CCCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249550 351657199 /nfs/dbraw/zinc/65/71/99/351657199.db2.gz XLKOWNUCSJUOOK-UHFFFAOYSA-N 1 0 280.324 2.598 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254864 351658617 /nfs/dbraw/zinc/65/86/17/351658617.db2.gz PPBMYOACXIIYFC-SNVBAGLBSA-N 1 0 280.324 2.596 20 5 CFBDRO C[NH+]1CCC([C@H]2CCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000611414542 351687739 /nfs/dbraw/zinc/68/77/39/351687739.db2.gz GHRXJZAOLZEWTF-LBPRGKRZSA-N 1 0 295.408 2.824 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC1(C)C ZINC000611468928 351694137 /nfs/dbraw/zinc/69/41/37/351694137.db2.gz UWBVLZHWZJIOAK-GXFFZTMASA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000611470207 351694290 /nfs/dbraw/zinc/69/42/90/351694290.db2.gz MYIRZKIYKBLISS-GHMZBOCLSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501455 351698503 /nfs/dbraw/zinc/69/85/03/351698503.db2.gz CCPGITXMDUEHII-BXUZGUMPSA-N 1 0 266.316 2.817 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000611336963 351669922 /nfs/dbraw/zinc/66/99/22/351669922.db2.gz UEIWEOFGPADBJF-LLVKDONJSA-N 1 0 296.367 2.663 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337506 351670152 /nfs/dbraw/zinc/67/01/52/351670152.db2.gz VMLFBQZPWCXXHD-SMDDNHRTSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCC(C)CC1 ZINC000611560546 351708479 /nfs/dbraw/zinc/70/84/79/351708479.db2.gz JCMKAXQAXLRUDF-UHFFFAOYSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C2CSC2)cc1[N+](=O)[O-] ZINC000611564148 351709467 /nfs/dbraw/zinc/70/94/67/351709467.db2.gz PFNXQRULKGFGIG-VIFPVBQESA-N 1 0 252.339 2.669 20 5 CFBDRO C[C@H]1C[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123145124 187073751 /nfs/dbraw/zinc/07/37/51/187073751.db2.gz ZQYOUIVFTDJKQP-JSGCOSHPSA-N 1 0 277.368 2.509 20 5 CFBDRO CCCC[C@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000122428243 187031602 /nfs/dbraw/zinc/03/16/02/187031602.db2.gz APBMUCSYUBKGDH-CYBMUJFWSA-N 1 0 296.367 2.898 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CC(F)(F)C1 ZINC000291776863 198088994 /nfs/dbraw/zinc/08/89/94/198088994.db2.gz UJXXJEDSVPZWKI-UHFFFAOYSA-N 1 0 256.252 2.730 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000122445487 187032968 /nfs/dbraw/zinc/03/29/68/187032968.db2.gz KRVCUQVZFNYOGH-CYBMUJFWSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122589220 187040408 /nfs/dbraw/zinc/04/04/08/187040408.db2.gz FQGSDXVZHJZRMF-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123005494 187065904 /nfs/dbraw/zinc/06/59/04/187065904.db2.gz QHDDZBLPQXQBKG-RYUDHWBXSA-N 1 0 291.351 2.715 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000123268059 187081465 /nfs/dbraw/zinc/08/14/65/187081465.db2.gz VQTJRDUDPZITIZ-UKRRQHHQSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000123647731 187102202 /nfs/dbraw/zinc/10/22/02/187102202.db2.gz PITRVCGIEHDVFE-DGCLKSJQSA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123847083 187111420 /nfs/dbraw/zinc/11/14/20/187111420.db2.gz XSBKERYZVIFMBD-TZMCWYRMSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286383932 297263748 /nfs/dbraw/zinc/26/37/48/297263748.db2.gz OOEVYQJBPGNLMT-CHWSQXEVSA-N 1 0 275.352 2.658 20 5 CFBDRO CC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000616487717 352358287 /nfs/dbraw/zinc/35/82/87/352358287.db2.gz ODPVWUASPUWPEH-AWEZNQCLSA-N 1 0 264.325 2.562 20 5 CFBDRO CC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000616487718 352358487 /nfs/dbraw/zinc/35/84/87/352358487.db2.gz ODPVWUASPUWPEH-CQSZACIVSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1F ZINC000271525618 191193522 /nfs/dbraw/zinc/19/35/22/191193522.db2.gz QBGIPYJZXVPXRA-LLVKDONJSA-N 1 0 292.314 2.590 20 5 CFBDRO Cc1nccn1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292094699 198160887 /nfs/dbraw/zinc/16/08/87/198160887.db2.gz HESKEBAIRLZMCA-UHFFFAOYSA-N 1 0 288.351 2.625 20 5 CFBDRO CCC(C)(C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000617508300 352573075 /nfs/dbraw/zinc/57/30/75/352573075.db2.gz ZJVYRJHBQHSSHF-UHFFFAOYSA-N 1 0 294.351 2.892 20 5 CFBDRO C[C@@H]1C[N@H+](CCCNc2ccsc2[N+](=O)[O-])CCCO1 ZINC000617843216 352656440 /nfs/dbraw/zinc/65/64/40/352656440.db2.gz BZYIYOXQIOIPJZ-LLVKDONJSA-N 1 0 299.396 2.569 20 5 CFBDRO C[C@H]1C[N@H+](CCCNc2sccc2[N+](=O)[O-])CCCO1 ZINC000617843244 352656642 /nfs/dbraw/zinc/65/66/42/352656642.db2.gz IZJQYIDOPUZKEH-NSHDSACASA-N 1 0 299.396 2.569 20 5 CFBDRO CN1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618565160 352810558 /nfs/dbraw/zinc/81/05/58/352810558.db2.gz CSXPQMMJLVKXII-BBRMVZONSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618573002 352814675 /nfs/dbraw/zinc/81/46/75/352814675.db2.gz HIXSQBQJHXLRDW-QMTHXVAHSA-N 1 0 278.352 2.721 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)CC1CC1)CCC2 ZINC000618572357 352814874 /nfs/dbraw/zinc/81/48/74/352814874.db2.gz YRFKVBSQFUMZCO-XJKSGUPXSA-N 1 0 290.363 2.723 20 5 CFBDRO CC(C)([NH2+]CCCCCO)c1ccccc1[N+](=O)[O-] ZINC000292202501 198200899 /nfs/dbraw/zinc/20/08/99/198200899.db2.gz SJKFMWKITMFVBS-UHFFFAOYSA-N 1 0 266.341 2.582 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000619426161 353020957 /nfs/dbraw/zinc/02/09/57/353020957.db2.gz SZNVQXJJRWLVIG-WFASDCNBSA-N 1 0 294.351 2.521 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000152562362 188029315 /nfs/dbraw/zinc/02/93/15/188029315.db2.gz DPIJFRFCXHANEF-WCQYABFASA-N 1 0 294.351 2.823 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152733139 188039925 /nfs/dbraw/zinc/03/99/25/188039925.db2.gz JZHVLWLSNSCYEL-ZYHUDNBSSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152924542 188053683 /nfs/dbraw/zinc/05/36/83/188053683.db2.gz CIYPSWTXFKBNQJ-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOC1 ZINC000153479166 188084283 /nfs/dbraw/zinc/08/42/83/188084283.db2.gz ZXEGDQBCSLKIGT-GXTWGEPZSA-N 1 0 278.352 2.685 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153905576 188110472 /nfs/dbraw/zinc/11/04/72/188110472.db2.gz REYQMSPZHZJCDT-WDEREUQCSA-N 1 0 298.774 2.928 20 5 CFBDRO C[N@H+](CCn1cccn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153899356 188110771 /nfs/dbraw/zinc/11/07/71/188110771.db2.gz OKPIUZWURSZUQB-UHFFFAOYSA-N 1 0 294.742 2.577 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000157383661 188313594 /nfs/dbraw/zinc/31/35/94/188313594.db2.gz WQBVRFPHTRMTMD-UHFFFAOYSA-N 1 0 294.742 2.577 20 5 CFBDRO C[C@@H](CCO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295178866 199390289 /nfs/dbraw/zinc/39/02/89/199390289.db2.gz VIFLOQHLGLXDGZ-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158667048 188388468 /nfs/dbraw/zinc/38/84/68/188388468.db2.gz QIBUIMJEOOLHOI-ZFWWWQNUSA-N 1 0 289.379 2.511 20 5 CFBDRO COC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000271699503 191281353 /nfs/dbraw/zinc/28/13/53/191281353.db2.gz HEIQSDYSHBVEDA-UHFFFAOYSA-N 1 0 264.325 2.596 20 5 CFBDRO CCOC(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000159374214 188422904 /nfs/dbraw/zinc/42/29/04/188422904.db2.gz NIRQDQDPFBEWCE-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292982412 198483137 /nfs/dbraw/zinc/48/31/37/198483137.db2.gz LIFVMWCWMHBKDT-YGRLFVJLSA-N 1 0 298.770 2.889 20 5 CFBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271718556 191290420 /nfs/dbraw/zinc/29/04/20/191290420.db2.gz JHLJARSLRKLUBW-UHFFFAOYSA-N 1 0 289.282 2.606 20 5 CFBDRO CCCCOC(=O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271797912 191333956 /nfs/dbraw/zinc/33/39/56/191333956.db2.gz WAIVJSBHMUPNCL-GFCCVEGCSA-N 1 0 294.351 2.979 20 5 CFBDRO C[C@H]([NH2+]CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173402677 188853303 /nfs/dbraw/zinc/85/33/03/188853303.db2.gz WTJTUSGDHWCECG-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO CCC(CC)[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230606374 540122045 /nfs/dbraw/zinc/12/20/45/540122045.db2.gz BGOILDTYHMUVLD-HNNXBMFYSA-N 1 0 280.368 2.524 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC2OCCCO2)cc1[N+](=O)[O-] ZINC000271805958 191338597 /nfs/dbraw/zinc/33/85/97/191338597.db2.gz QENYTQCUJMJFLR-LBPRGKRZSA-N 1 0 294.351 2.707 20 5 CFBDRO CCSCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271819060 191347041 /nfs/dbraw/zinc/34/70/41/191347041.db2.gz ZUVPEYJAMQSZIT-JTQLQIEISA-N 1 0 254.355 2.999 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000271976981 191442372 /nfs/dbraw/zinc/44/23/72/191442372.db2.gz NZRBJGREJQIWOR-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294675452 199129987 /nfs/dbraw/zinc/12/99/87/199129987.db2.gz HUPUJUSICHDUAV-ZYHUDNBSSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294673345 199128522 /nfs/dbraw/zinc/12/85/22/199128522.db2.gz HUPUJUSICHDUAV-JQWIXIFHSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000419370042 236492396 /nfs/dbraw/zinc/49/23/96/236492396.db2.gz IYNKCLJZFQJMMZ-UTUOFQBUSA-N 1 0 291.351 2.510 20 5 CFBDRO CCC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000294800494 199189706 /nfs/dbraw/zinc/18/97/06/199189706.db2.gz CEMFYFIKSASDIM-HNNXBMFYSA-N 1 0 280.368 2.966 20 5 CFBDRO Cc1cccnc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294939692 199261541 /nfs/dbraw/zinc/26/15/41/199261541.db2.gz GWIRJXAKAPQCRN-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000296829385 200008782 /nfs/dbraw/zinc/00/87/82/200008782.db2.gz WHMLGEMFRPYWCN-SWLSCSKDSA-N 1 0 294.351 2.789 20 5 CFBDRO COCCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178106943 189090907 /nfs/dbraw/zinc/09/09/07/189090907.db2.gz QALHJBFZXRPRME-HNNXBMFYSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000178427334 189115221 /nfs/dbraw/zinc/11/52/21/189115221.db2.gz ROIGMBOXIRQUHQ-CHWSQXEVSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCOC1 ZINC000178431171 189115962 /nfs/dbraw/zinc/11/59/62/189115962.db2.gz UHQBWRQKSDQHKB-KGLIPLIRSA-N 1 0 292.379 2.932 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179421188 189193239 /nfs/dbraw/zinc/19/32/39/189193239.db2.gz TVJKYNYAFAJLLW-DGCLKSJQSA-N 1 0 294.351 2.823 20 5 CFBDRO CCOC(=O)CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180437735 189255421 /nfs/dbraw/zinc/25/54/21/189255421.db2.gz AWZQHXFBSYTLTF-GFCCVEGCSA-N 1 0 294.351 2.979 20 5 CFBDRO CC(C)[NH+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000180454295 189256344 /nfs/dbraw/zinc/25/63/44/189256344.db2.gz MIPYSRDHQWMZDY-UHFFFAOYSA-N 1 0 293.367 2.676 20 5 CFBDRO Cc1cnc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301555760 201066426 /nfs/dbraw/zinc/06/64/26/201066426.db2.gz IQHAHEBQOBXQLF-NSHDSACASA-N 1 0 280.372 2.686 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183455494 189359162 /nfs/dbraw/zinc/35/91/62/189359162.db2.gz RIQFCMNMNCHKST-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183381468 189357601 /nfs/dbraw/zinc/35/76/01/189357601.db2.gz ICTKPUYUXLYADQ-CQSZACIVSA-N 1 0 291.395 2.677 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000183386389 189357786 /nfs/dbraw/zinc/35/77/86/189357786.db2.gz RRMUFXHKQGCZDM-CQSZACIVSA-N 1 0 280.368 2.742 20 5 CFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301798650 201205002 /nfs/dbraw/zinc/20/50/02/201205002.db2.gz RPWYCUMOHOZNIA-SNVBAGLBSA-N 1 0 299.321 2.651 20 5 CFBDRO CCCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184225269 189380074 /nfs/dbraw/zinc/38/00/74/189380074.db2.gz KFCWNKKZLKVEDS-UHFFFAOYSA-N 1 0 270.304 2.974 20 5 CFBDRO CS[C@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000425362942 239027283 /nfs/dbraw/zinc/02/72/83/239027283.db2.gz VZEOLSAPUXEULX-OLZOCXBDSA-N 1 0 266.366 2.621 20 5 CFBDRO CC[N@H+](CCNc1sccc1[N+](=O)[O-])C(C)C ZINC000301993487 201290174 /nfs/dbraw/zinc/29/01/74/201290174.db2.gz OHIDXFDAQQGSDU-UHFFFAOYSA-N 1 0 257.359 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426526521 239238079 /nfs/dbraw/zinc/23/80/79/239238079.db2.gz TXBRJPSYSBQSSZ-SWLSCSKDSA-N 1 0 276.336 2.848 20 5 CFBDRO Cc1ccc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000302175546 201382399 /nfs/dbraw/zinc/38/23/99/201382399.db2.gz WELCOMXEMVENAK-UHFFFAOYSA-N 1 0 275.352 2.967 20 5 CFBDRO CC(C)[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000432777018 240040089 /nfs/dbraw/zinc/04/00/89/240040089.db2.gz SBNYQNBMTREKJZ-HNNXBMFYSA-N 1 0 278.352 2.576 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000275408636 193024626 /nfs/dbraw/zinc/02/46/26/193024626.db2.gz FSYYNDRORGBVCU-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000275652907 193096996 /nfs/dbraw/zinc/09/69/96/193096996.db2.gz ABUOWKWBSUIKTJ-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](C4CC4)C3)nc2c1 ZINC000444682232 241167514 /nfs/dbraw/zinc/16/75/14/241167514.db2.gz ZFSGZQSDXFDVMJ-LLVKDONJSA-N 1 0 286.335 2.703 20 5 CFBDRO C[C@](O)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000447537642 241380490 /nfs/dbraw/zinc/38/04/90/241380490.db2.gz XLJDLOJFZUUUIQ-CVEARBPZSA-N 1 0 290.363 2.723 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159268 241732107 /nfs/dbraw/zinc/73/21/07/241732107.db2.gz YYHRSZAJHZWKGK-BLLLJJGKSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@H](CCO)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449356020 241868395 /nfs/dbraw/zinc/86/83/95/241868395.db2.gz FHRZYMOULOVFFB-STQMWFEESA-N 1 0 280.368 2.524 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CCOCC1 ZINC000449402681 241904833 /nfs/dbraw/zinc/90/48/33/241904833.db2.gz MOCFZIYGVCZORU-UKTHLTGXSA-N 1 0 288.347 2.934 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(CO)CC1 ZINC000449577449 242044759 /nfs/dbraw/zinc/04/47/59/242044759.db2.gz DYYIOWGWSDRWMQ-LCYFTJDESA-N 1 0 290.363 2.750 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449583069 242047685 /nfs/dbraw/zinc/04/76/85/242047685.db2.gz AHMVHLOARRDQEY-DZGCQCFKSA-N 1 0 278.352 2.544 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])COC1 ZINC000449597151 242057728 /nfs/dbraw/zinc/05/77/28/242057728.db2.gz DDMJBSYUHVTTLI-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COCC1(C)C ZINC000449621694 242068287 /nfs/dbraw/zinc/06/82/87/242068287.db2.gz ACOZLSURTLYQPG-IUODEOHRSA-N 1 0 292.379 2.931 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000449622139 242072011 /nfs/dbraw/zinc/07/20/11/242072011.db2.gz CKZOVYCVZCOVHL-CQSZACIVSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000449786180 242164435 /nfs/dbraw/zinc/16/44/35/242164435.db2.gz LWFOJBQYOIXXLL-INIZCTEOSA-N 1 0 291.395 2.818 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450304404 242349412 /nfs/dbraw/zinc/34/94/12/242349412.db2.gz LZVVQUBLSRURSH-UHFFFAOYSA-N 1 0 288.351 2.943 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450308289 242350959 /nfs/dbraw/zinc/35/09/59/242350959.db2.gz KWWLHQRCXGWBAI-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347029476 284068542 /nfs/dbraw/zinc/06/85/42/284068542.db2.gz WJOMJYXVDRBDCH-NTZNESFSSA-N 1 0 292.335 2.539 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453289090 296162387 /nfs/dbraw/zinc/16/23/87/296162387.db2.gz HWSHESZZXNRLIC-KGYLQXTDSA-N 1 0 278.356 2.663 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459626747 245249882 /nfs/dbraw/zinc/24/98/82/245249882.db2.gz CQLPYEXBKBADHM-BNOWGMLFSA-N 1 0 278.352 2.683 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459777812 245320288 /nfs/dbraw/zinc/32/02/88/245320288.db2.gz YPTMMRJLVLCMLO-CDBNLRSOSA-N 1 0 276.361 2.798 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459798801 245332376 /nfs/dbraw/zinc/33/23/76/245332376.db2.gz XYXYIJPJOYIJLX-KBPBESRZSA-N 1 0 294.326 2.781 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000459796804 245333274 /nfs/dbraw/zinc/33/32/74/245333274.db2.gz WIZIGJKMFCKPQG-GJZGRUSLSA-N 1 0 290.363 2.950 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020089309 372227045 /nfs/dbraw/zinc/22/70/45/372227045.db2.gz QHMXEKRTJGLHSY-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000035115421 372539997 /nfs/dbraw/zinc/53/99/97/372539997.db2.gz SCSQHOCCNCJHSL-WBMJQRKESA-N 1 0 286.331 2.979 20 5 CFBDRO COc1ccc(C[NH2+]Cc2cccs2)cc1[N+](=O)[O-] ZINC000036667059 372585608 /nfs/dbraw/zinc/58/56/08/372585608.db2.gz CXSDTHUWQNSZFJ-UHFFFAOYSA-N 1 0 278.333 2.955 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037154548 372657682 /nfs/dbraw/zinc/65/76/82/372657682.db2.gz GJWAJRROLRKQAP-RYUDHWBXSA-N 1 0 274.324 2.531 20 5 CFBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037126374 372652233 /nfs/dbraw/zinc/65/22/33/372652233.db2.gz IIYJBPMOMUDGKK-NWDGAFQWSA-N 1 0 293.367 2.502 20 5 CFBDRO COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000037680710 372691103 /nfs/dbraw/zinc/69/11/03/372691103.db2.gz QNDVBUBNRZFILJ-UHFFFAOYSA-N 1 0 286.331 2.936 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738283 372693843 /nfs/dbraw/zinc/69/38/43/372693843.db2.gz YHHVJQBSUKTKJH-BXUZGUMPSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000038013897 372768024 /nfs/dbraw/zinc/76/80/24/372768024.db2.gz BRXBPGBTBOIYGJ-NEPJUHHUSA-N 1 0 293.367 2.550 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045656990 373025155 /nfs/dbraw/zinc/02/51/55/373025155.db2.gz AVULJBRTBIAIKZ-GHMZBOCLSA-N 1 0 252.314 2.528 20 5 CFBDRO CCOC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045686598 373026995 /nfs/dbraw/zinc/02/69/95/373026995.db2.gz CBRKDWKMDLULLD-LLVKDONJSA-N 1 0 280.324 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000048336922 373165183 /nfs/dbraw/zinc/16/51/83/373165183.db2.gz XHQPNVFOJJIBBH-UONOGXRCSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048336865 373165440 /nfs/dbraw/zinc/16/54/40/373165440.db2.gz KZAHOOYGVLVGAJ-QWHCGFSZSA-N 1 0 261.325 2.634 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000048993372 373246358 /nfs/dbraw/zinc/24/63/58/373246358.db2.gz OSHURDCVMOIYQW-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963567 373336808 /nfs/dbraw/zinc/33/68/08/373336808.db2.gz LIBMQCMSHKPJND-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO C[C@@H](CC[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963702 373337444 /nfs/dbraw/zinc/33/74/44/373337444.db2.gz ACMDOUISJNANHA-JTQLQIEISA-N 1 0 285.775 2.678 20 5 CFBDRO CC[C@@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000061003120 373711081 /nfs/dbraw/zinc/71/10/81/373711081.db2.gz BRWPSBDJDQGDID-LBPRGKRZSA-N 1 0 266.341 2.579 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]cc1C ZINC000192517385 220226040 /nfs/dbraw/zinc/22/60/40/220226040.db2.gz VQFJXJMJYCXYFP-UHFFFAOYSA-N 1 0 273.292 2.919 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCCCCC2)c1 ZINC000062351179 373759374 /nfs/dbraw/zinc/75/93/74/373759374.db2.gz QZWQEGYCOHMTLT-CQSZACIVSA-N 1 0 264.325 2.504 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351255 373759783 /nfs/dbraw/zinc/75/97/83/373759783.db2.gz YTVJSEKLRVCBNY-JMSVASOKSA-N 1 0 278.352 2.891 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451736107 383694601 /nfs/dbraw/zinc/69/46/01/383694601.db2.gz ZBIQXROFLPLOMX-LBPRGKRZSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063196246 373794741 /nfs/dbraw/zinc/79/47/41/373794741.db2.gz PCSSDANUBRBQNY-GWCFXTLKSA-N 1 0 297.786 2.950 20 5 CFBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533444 373884731 /nfs/dbraw/zinc/88/47/31/373884731.db2.gz TZQCXDLNDXZHPD-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072874708 374297879 /nfs/dbraw/zinc/29/78/79/374297879.db2.gz GFLZPJQLJFXDKM-NSHDSACASA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000491829923 246093163 /nfs/dbraw/zinc/09/31/63/246093163.db2.gz BESCKPOVMBYRCO-YGRLFVJLSA-N 1 0 297.786 2.630 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074287512 374411566 /nfs/dbraw/zinc/41/15/66/374411566.db2.gz CPKCEYZBNYPJOH-HOTGVXAUSA-N 1 0 292.379 2.763 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000076117856 374534756 /nfs/dbraw/zinc/53/47/56/374534756.db2.gz FKXKCNDQOGCODP-JTQLQIEISA-N 1 0 288.307 2.629 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076344548 374547303 /nfs/dbraw/zinc/54/73/03/374547303.db2.gz KLESTDJELCLSQR-CYBMUJFWSA-N 1 0 264.325 2.514 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080306166 374649798 /nfs/dbraw/zinc/64/97/98/374649798.db2.gz IJRCHNMOTLICIR-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000081096882 374686294 /nfs/dbraw/zinc/68/62/94/374686294.db2.gz TXXQCUNHTCPDPG-UKRRQHHQSA-N 1 0 291.395 2.757 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081570883 374706352 /nfs/dbraw/zinc/70/63/52/374706352.db2.gz ZSMTUVBMIPUWQP-OAHLLOKOSA-N 1 0 291.395 2.759 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081584756 374707047 /nfs/dbraw/zinc/70/70/47/374707047.db2.gz XLJLGMGOLZWGEQ-AWEZNQCLSA-N 1 0 291.395 2.759 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440002 374776224 /nfs/dbraw/zinc/77/62/24/374776224.db2.gz YUJDOHWTBJXQDU-UHFFFAOYSA-N 1 0 286.759 2.889 20 5 CFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000089936314 374970932 /nfs/dbraw/zinc/97/09/32/374970932.db2.gz VWNDDPMBIMEJFU-ZDUSSCGKSA-N 1 0 296.392 2.801 20 5 CFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000089936313 374971331 /nfs/dbraw/zinc/97/13/31/374971331.db2.gz VWNDDPMBIMEJFU-CYBMUJFWSA-N 1 0 296.392 2.801 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000093839726 375319189 /nfs/dbraw/zinc/31/91/89/375319189.db2.gz YNCCAVMSIWKZJZ-BPJJOFIESA-N 1 0 276.336 2.576 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094942054 375393060 /nfs/dbraw/zinc/39/30/60/375393060.db2.gz FHJOBYWWQUARHH-NWDGAFQWSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[NH+](CC)CCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000100724893 375627362 /nfs/dbraw/zinc/62/73/62/375627362.db2.gz XCDPYSGHBMHKRU-UHFFFAOYSA-N 1 0 281.356 2.747 20 5 CFBDRO Cc1cc(NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000104353339 375779802 /nfs/dbraw/zinc/77/98/02/375779802.db2.gz NTHYREJUMLQQNR-GFCCVEGCSA-N 1 0 263.341 2.705 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000108934261 375818480 /nfs/dbraw/zinc/81/84/80/375818480.db2.gz YQTZSSMKSUXKGB-GHMZBOCLSA-N 1 0 279.315 2.773 20 5 CFBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000111384574 375841250 /nfs/dbraw/zinc/84/12/50/375841250.db2.gz MXLBBUUIAZVNHX-OAHLLOKOSA-N 1 0 280.368 2.969 20 5 CFBDRO CC(C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000111385685 375843678 /nfs/dbraw/zinc/84/36/78/375843678.db2.gz SMDHYEWKXFDZKF-UHFFFAOYSA-N 1 0 290.319 2.715 20 5 CFBDRO COCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000112018234 375879448 /nfs/dbraw/zinc/87/94/48/375879448.db2.gz PTKDNJFCAHHCFY-SECBINFHSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@H]1SCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000118415056 376295967 /nfs/dbraw/zinc/29/59/67/376295967.db2.gz JXKZVLRJUIPPHT-VXGBXAGGSA-N 1 0 280.393 2.963 20 5 CFBDRO C[C@@H]1SCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118419802 376298235 /nfs/dbraw/zinc/29/82/35/376298235.db2.gz RWTPXOZBFRACBI-RYUDHWBXSA-N 1 0 296.392 2.799 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000119217467 376374668 /nfs/dbraw/zinc/37/46/68/376374668.db2.gz IOIDLARLOOZLAS-CYBMUJFWSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000119739993 376463806 /nfs/dbraw/zinc/46/38/06/376463806.db2.gz UOJTUDGCBILSIC-AWEZNQCLSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000119969996 376516407 /nfs/dbraw/zinc/51/64/07/376516407.db2.gz WNUJSKWMLPOHAW-GFCCVEGCSA-N 1 0 299.330 2.884 20 5 CFBDRO Cc1nn(C)cc1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000125662725 377182042 /nfs/dbraw/zinc/18/20/42/377182042.db2.gz HSKYVTKSTWHNNM-UHFFFAOYSA-N 1 0 294.742 2.580 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000130312388 377537035 /nfs/dbraw/zinc/53/70/35/377537035.db2.gz FOHATEJXKCACTF-MWLCHTKSSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131680688 377745906 /nfs/dbraw/zinc/74/59/06/377745906.db2.gz SOZWUYZQNDSXFM-GFCCVEGCSA-N 1 0 293.342 2.656 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000133235245 377916195 /nfs/dbraw/zinc/91/61/95/377916195.db2.gz QNZRARXEHORCFV-MRVPVSSYSA-N 1 0 291.273 2.881 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCn2cccn2)c1 ZINC000134477249 378018819 /nfs/dbraw/zinc/01/88/19/378018819.db2.gz LDAGXYVFGUFOSL-UHFFFAOYSA-N 1 0 294.742 2.625 20 5 CFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000135431381 378131705 /nfs/dbraw/zinc/13/17/05/378131705.db2.gz WWRBMKJLDXFNPF-ZDUSSCGKSA-N 1 0 266.366 2.922 20 5 CFBDRO CSC[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000135469139 378136343 /nfs/dbraw/zinc/13/63/43/378136343.db2.gz IFTPZSXBUZHARM-ZDUSSCGKSA-N 1 0 296.392 2.801 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000135174255 378095649 /nfs/dbraw/zinc/09/56/49/378095649.db2.gz XJKOUVFUFWDKJH-ZYHUDNBSSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000136384346 378197700 /nfs/dbraw/zinc/19/77/00/378197700.db2.gz HRPOIQZAPKFCNC-LBPRGKRZSA-N 1 0 266.366 2.888 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000148501696 378257531 /nfs/dbraw/zinc/25/75/31/378257531.db2.gz UZVKRSCWCNFHHV-WDEREUQCSA-N 1 0 296.758 2.682 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151898581 378371401 /nfs/dbraw/zinc/37/14/01/378371401.db2.gz JSJUGDXDQXEJME-SWLSCSKDSA-N 1 0 292.379 2.524 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)CCO)cc1[N+](=O)[O-] ZINC000153936215 378524196 /nfs/dbraw/zinc/52/41/96/378524196.db2.gz VVJACBZTTLNMEK-WCQYABFASA-N 1 0 296.367 2.805 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1ccccn1)C2 ZINC000153197997 378480430 /nfs/dbraw/zinc/48/04/30/378480430.db2.gz PGYPRFZFGOZALE-UHFFFAOYSA-N 1 0 283.331 2.591 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000154438657 378567385 /nfs/dbraw/zinc/56/73/85/378567385.db2.gz HQNVFVUIPWUNTH-CQSZACIVSA-N 1 0 278.352 2.639 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332297604 378744227 /nfs/dbraw/zinc/74/42/27/378744227.db2.gz URWJKGTYWIZFGH-NEPJUHHUSA-N 1 0 264.325 2.624 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331568282 378709320 /nfs/dbraw/zinc/70/93/20/378709320.db2.gz UQXBWJIZEJBKJU-STQMWFEESA-N 1 0 289.379 2.791 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1F ZINC000159786338 378730229 /nfs/dbraw/zinc/73/02/29/378730229.db2.gz WJKDOGIHTFTAMD-VXGBXAGGSA-N 1 0 264.300 2.966 20 5 CFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000161312060 378839911 /nfs/dbraw/zinc/83/99/11/378839911.db2.gz ITEQZGHNWBIOFN-CYBMUJFWSA-N 1 0 292.383 2.770 20 5 CFBDRO Cc1nc(NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000161528399 378854311 /nfs/dbraw/zinc/85/43/11/378854311.db2.gz HJBOUGLIARBITJ-LBPRGKRZSA-N 1 0 292.383 2.832 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000162407909 378911651 /nfs/dbraw/zinc/91/16/51/378911651.db2.gz MFFPZBLQOZHTHT-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CC(C)OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922162 378997370 /nfs/dbraw/zinc/99/73/70/378997370.db2.gz WGFHHUVDHATBEK-LLVKDONJSA-N 1 0 252.314 2.670 20 5 CFBDRO C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000278693340 194105763 /nfs/dbraw/zinc/10/57/63/194105763.db2.gz JHLQRSZQTIBDRD-IUODEOHRSA-N 1 0 294.351 2.789 20 5 CFBDRO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171951883 379450144 /nfs/dbraw/zinc/45/01/44/379450144.db2.gz YGLDTJBKYBHGOL-RYUDHWBXSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000171948819 379447599 /nfs/dbraw/zinc/44/75/99/379447599.db2.gz AAJXZSKHEKSKGY-LLVKDONJSA-N 1 0 293.367 2.820 20 5 CFBDRO CCN(CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173372863 379731879 /nfs/dbraw/zinc/73/18/79/379731879.db2.gz VXAYJXFRPSCLJS-GFCCVEGCSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173392929 379734139 /nfs/dbraw/zinc/73/41/39/379734139.db2.gz OOUBJYBNERESBF-RYUDHWBXSA-N 1 0 277.368 2.728 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000175051288 379986895 /nfs/dbraw/zinc/98/68/95/379986895.db2.gz RHDJQYQWSVIOQI-CQSZACIVSA-N 1 0 274.324 2.569 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000176194301 380191491 /nfs/dbraw/zinc/19/14/91/380191491.db2.gz KHLRNPMCHJBVCC-JTQLQIEISA-N 1 0 294.742 2.796 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000176245019 380201476 /nfs/dbraw/zinc/20/14/76/380201476.db2.gz OABKWZYYJMPNJA-OAHLLOKOSA-N 1 0 290.367 2.614 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000177878410 380389537 /nfs/dbraw/zinc/38/95/37/380389537.db2.gz AXYHNWNQLATRFZ-PWSUYJOCSA-N 1 0 291.351 2.572 20 5 CFBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178370248 380443551 /nfs/dbraw/zinc/44/35/51/380443551.db2.gz VGJBSDUFYSOPOY-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO CCSCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336787872 380633971 /nfs/dbraw/zinc/63/39/71/380633971.db2.gz GCRXBNVOVQYAPF-UHFFFAOYSA-N 1 0 272.345 2.967 20 5 CFBDRO C[C@@H]1CCSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279151795 194306680 /nfs/dbraw/zinc/30/66/80/194306680.db2.gz APKVGXXXKBNJFK-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000336791205 380638323 /nfs/dbraw/zinc/63/83/23/380638323.db2.gz MUKZKXORHIHTCK-VIFPVBQESA-N 1 0 271.748 2.858 20 5 CFBDRO CCC[C@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180344645 380646048 /nfs/dbraw/zinc/64/60/48/380646048.db2.gz BACGSCCETAHBIW-STQMWFEESA-N 1 0 292.383 2.912 20 5 CFBDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000336815214 380676184 /nfs/dbraw/zinc/67/61/84/380676184.db2.gz ZFBURFJTRUKTRS-CYBMUJFWSA-N 1 0 266.341 2.797 20 5 CFBDRO C[NH+](C)CCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000264515243 383749088 /nfs/dbraw/zinc/74/90/88/383749088.db2.gz YRDPXIZSOKQJDH-UHFFFAOYSA-N 1 0 286.335 2.838 20 5 CFBDRO COC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000181082565 380735795 /nfs/dbraw/zinc/73/57/95/380735795.db2.gz REISFNXCCUPXLP-QPJJXVBHSA-N 1 0 276.336 2.767 20 5 CFBDRO COCC1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000295453181 380862995 /nfs/dbraw/zinc/86/29/95/380862995.db2.gz QJEJOGDNDOWRGV-UHFFFAOYSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000400664814 380864920 /nfs/dbraw/zinc/86/49/20/380864920.db2.gz ZKHOGVKENQTNCJ-GFCCVEGCSA-N 1 0 264.325 2.501 20 5 CFBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000341264740 380880164 /nfs/dbraw/zinc/88/01/64/380880164.db2.gz PZWKOQLNMHQVQL-QWRGUYRKSA-N 1 0 270.354 2.561 20 5 CFBDRO COC(=O)C1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000279206102 194332978 /nfs/dbraw/zinc/33/29/78/194332978.db2.gz LQAWMMLFQVEHMT-LLVKDONJSA-N 1 0 292.335 2.507 20 5 CFBDRO COc1ccc(C[N@@H+](C[C@H](C)OC)C(C)C)cc1[N+](=O)[O-] ZINC000353799881 380860386 /nfs/dbraw/zinc/86/03/86/380860386.db2.gz XKJFLZYTYPNEBP-LBPRGKRZSA-N 1 0 296.367 2.849 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000341264741 380880871 /nfs/dbraw/zinc/88/08/71/380880871.db2.gz PZWKOQLNMHQVQL-WDEREUQCSA-N 1 0 270.354 2.561 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H](C)O ZINC000341304539 380920568 /nfs/dbraw/zinc/92/05/68/380920568.db2.gz QFUSNEZMAVHHLY-AGIUHOORSA-N 1 0 280.368 2.665 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347170152 380981971 /nfs/dbraw/zinc/98/19/71/380981971.db2.gz MZYILBAEGJRKMZ-HAANDJBQSA-N 1 0 289.379 2.810 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000279297950 194373472 /nfs/dbraw/zinc/37/34/72/194373472.db2.gz LTVFXHFILIDEDQ-HNNXBMFYSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000182134487 380998394 /nfs/dbraw/zinc/99/83/94/380998394.db2.gz LTBMFKNLKWZKML-MRXNPFEDSA-N 1 0 291.395 2.675 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411943001 381065182 /nfs/dbraw/zinc/06/51/82/381065182.db2.gz MKZKDDTZOUAHFL-DLBZAZTESA-N 1 0 298.342 2.903 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341529056 381066744 /nfs/dbraw/zinc/06/67/44/381066744.db2.gz HIBHHRPWVFCMIH-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279335795 194389770 /nfs/dbraw/zinc/38/97/70/194389770.db2.gz PFYNQCLKXURFIT-MLGOLLRUSA-N 1 0 290.363 2.637 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000347384759 381113266 /nfs/dbraw/zinc/11/32/66/381113266.db2.gz XVNWMWGRAZRZMC-ARRLWOLASA-N 1 0 290.363 2.701 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1CC(O)C1 ZINC000347387446 381115186 /nfs/dbraw/zinc/11/51/86/381115186.db2.gz ZRRCTPGWSYASCH-SDQBBNPISA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289729455 381123885 /nfs/dbraw/zinc/12/38/85/381123885.db2.gz DGYBRCJTKSRXHB-OAHLLOKOSA-N 1 0 286.335 2.547 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000295876137 381130567 /nfs/dbraw/zinc/13/05/67/381130567.db2.gz GORPSGPMXPNQJR-SDDRHHMPSA-N 1 0 296.392 2.578 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000289746262 381133465 /nfs/dbraw/zinc/13/34/65/381133465.db2.gz WBRBWXJZUMMUQU-AWEZNQCLSA-N 1 0 278.352 2.544 20 5 CFBDRO COC1CC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000347472261 381173649 /nfs/dbraw/zinc/17/36/49/381173649.db2.gz SGJABXUAKGGLEJ-UHFFFAOYSA-N 1 0 284.743 2.558 20 5 CFBDRO CC(C)(C)[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289927928 381220710 /nfs/dbraw/zinc/22/07/10/381220710.db2.gz OEHIINSSHHRISQ-OAHLLOKOSA-N 1 0 292.379 2.966 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)c(Cl)c1 ZINC000342227716 381224462 /nfs/dbraw/zinc/22/44/62/381224462.db2.gz KVHQGODXOHGIFD-SCZZXKLOSA-N 1 0 276.670 2.991 20 5 CFBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578653 381235224 /nfs/dbraw/zinc/23/52/24/381235224.db2.gz PLIJUDOINIVFGO-CHWSQXEVSA-N 1 0 294.399 2.938 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000342350874 381290329 /nfs/dbraw/zinc/29/03/29/381290329.db2.gz VKFRARMRNRBVHQ-RQDOONKYSA-N 1 0 264.325 2.621 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290043355 381276837 /nfs/dbraw/zinc/27/68/37/381276837.db2.gz DQOKJJNODGZWPV-UPJWGTAASA-N 1 0 280.368 2.929 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290201708 381339389 /nfs/dbraw/zinc/33/93/89/381339389.db2.gz PDBXFXBTFQKKLO-WOPDTQHZSA-N 1 0 266.341 2.977 20 5 CFBDRO CC[NH+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000347711307 381309260 /nfs/dbraw/zinc/30/92/60/381309260.db2.gz WBAAMXUPBJBSTC-STQMWFEESA-N 1 0 291.395 2.818 20 5 CFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000354590139 381356555 /nfs/dbraw/zinc/35/65/55/381356555.db2.gz ZRDMEEFGCAUXRC-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290392241 381410137 /nfs/dbraw/zinc/41/01/37/381410137.db2.gz IXHKQDPXHSHAEM-CJNGLKHVSA-N 1 0 291.395 2.675 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296498125 381421866 /nfs/dbraw/zinc/42/18/66/381421866.db2.gz OZCCSAWHQIKLNJ-BLLLJJGKSA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1c(C[N@H+](C)CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000342604661 381429680 /nfs/dbraw/zinc/42/96/80/381429680.db2.gz NLPRTRBRMAEPHV-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000342679760 381474898 /nfs/dbraw/zinc/47/48/98/381474898.db2.gz FWIBDSLASZKVAU-OAHLLOKOSA-N 1 0 277.368 2.509 20 5 CFBDRO COc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000290501078 381454262 /nfs/dbraw/zinc/45/42/62/381454262.db2.gz AROJGQSYQATHPX-WDEREUQCSA-N 1 0 291.351 2.641 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000296641641 381486121 /nfs/dbraw/zinc/48/61/21/381486121.db2.gz CEAPKZAJXIHORP-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000289375154 284895897 /nfs/dbraw/zinc/89/58/97/284895897.db2.gz BRDDVRJHMXMLAH-UHFFFAOYSA-N 1 0 297.424 2.964 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000348362549 381532177 /nfs/dbraw/zinc/53/21/77/381532177.db2.gz ANIHKQNNSYQNOY-GJZGRUSLSA-N 1 0 260.337 2.916 20 5 CFBDRO CC(C)(CO)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000291021201 381635282 /nfs/dbraw/zinc/63/52/82/381635282.db2.gz XSOHWSDZYZJJJL-GFCCVEGCSA-N 1 0 284.381 2.543 20 5 CFBDRO CC(C)([NH2+]Cc1ccnc(N)c1)c1ccccc1[N+](=O)[O-] ZINC000298515237 381657527 /nfs/dbraw/zinc/65/75/27/381657527.db2.gz VMCJBXQIVFAWTB-UHFFFAOYSA-N 1 0 286.335 2.597 20 5 CFBDRO Cc1cc(N2CC[NH+](CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359900657 381666678 /nfs/dbraw/zinc/66/66/78/381666678.db2.gz PEACOURFPYGMRK-UHFFFAOYSA-N 1 0 293.342 2.574 20 5 CFBDRO C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)[NH3+] ZINC000415007588 381700657 /nfs/dbraw/zinc/70/06/57/381700657.db2.gz LOSJNEVLCUKLBE-WDEREUQCSA-N 1 0 289.335 2.680 20 5 CFBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415050401 381736073 /nfs/dbraw/zinc/73/60/73/381736073.db2.gz CIIHCAXGJPEMLR-GFCCVEGCSA-N 1 0 285.775 2.711 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000185811519 381742186 /nfs/dbraw/zinc/74/21/86/381742186.db2.gz FROUJLGLTGCLAG-MRHSKWCASA-N 1 0 276.336 2.525 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343449864 381718370 /nfs/dbraw/zinc/71/83/70/381718370.db2.gz DNYBPROZJOONKM-ONGXEEELSA-N 1 0 267.304 2.629 20 5 CFBDRO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000185736741 381719412 /nfs/dbraw/zinc/71/94/12/381719412.db2.gz NLWGBFMNYHDNBN-UHFFFAOYSA-N 1 0 257.293 2.935 20 5 CFBDRO C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000415128968 381796264 /nfs/dbraw/zinc/79/62/64/381796264.db2.gz OZAVTSLIQZKFES-AVXNYWLKSA-N 1 0 289.379 2.525 20 5 CFBDRO Cc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291377545 381761226 /nfs/dbraw/zinc/76/12/26/381761226.db2.gz ZYSMKTWWCIZFCE-AWEZNQCLSA-N 1 0 278.352 2.903 20 5 CFBDRO C[NH2+]CCCN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000415138427 381802759 /nfs/dbraw/zinc/80/27/59/381802759.db2.gz VEKUBJQFUZYNJS-UHFFFAOYSA-N 1 0 279.384 2.760 20 5 CFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292441214 381804865 /nfs/dbraw/zinc/80/48/65/381804865.db2.gz YISPKFMAGHUSTE-CQSZACIVSA-N 1 0 295.770 2.780 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000349206429 381847477 /nfs/dbraw/zinc/84/74/77/381847477.db2.gz BJVNOAISUDIZLB-WCQYABFASA-N 1 0 296.367 2.661 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356867735 381873327 /nfs/dbraw/zinc/87/33/27/381873327.db2.gz MYCJEYONGXEJAV-TZMCWYRMSA-N 1 0 278.352 2.542 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186499795 381928399 /nfs/dbraw/zinc/92/83/99/381928399.db2.gz DIOLEJPDIXIKLT-VSYHDTTKSA-N 1 0 278.352 2.881 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000373247687 381960528 /nfs/dbraw/zinc/96/05/28/381960528.db2.gz SBQCNUWAPGHFBJ-AWEZNQCLSA-N 1 0 296.754 2.595 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000373247688 381960810 /nfs/dbraw/zinc/96/08/10/381960810.db2.gz SBQCNUWAPGHFBJ-CQSZACIVSA-N 1 0 296.754 2.595 20 5 CFBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000292997744 381943194 /nfs/dbraw/zinc/94/31/94/381943194.db2.gz OMOBRSQCSSIURB-ZDUSSCGKSA-N 1 0 284.381 2.687 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000293148034 382008208 /nfs/dbraw/zinc/00/82/08/382008208.db2.gz USTLZCZHTSLBBT-WFASDCNBSA-N 1 0 278.352 2.544 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293160064 382013645 /nfs/dbraw/zinc/01/36/45/382013645.db2.gz VNWYKPPEJABUBZ-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2CCC1CC2 ZINC000362338622 382014200 /nfs/dbraw/zinc/01/42/00/382014200.db2.gz CANSWZPPEBBKRS-UHFFFAOYSA-N 1 0 276.336 2.978 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(CO)CC1 ZINC000186953156 382055518 /nfs/dbraw/zinc/05/55/18/382055518.db2.gz JGISYPLUCXXUFQ-GFCCVEGCSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273703 382058297 /nfs/dbraw/zinc/05/82/97/382058297.db2.gz CLUBNEURJXVIPQ-VXGBXAGGSA-N 1 0 294.399 2.558 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000186797823 382016979 /nfs/dbraw/zinc/01/69/79/382016979.db2.gz YDTQRCDTWANFJR-NJZAAPMLSA-N 1 0 278.352 2.857 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000343940276 382030376 /nfs/dbraw/zinc/03/03/76/382030376.db2.gz FJNHIFQCHOQBSA-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317158 382037922 /nfs/dbraw/zinc/03/79/22/382037922.db2.gz VVKAXELQHSQULJ-IAQYHMDHSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315648 382038219 /nfs/dbraw/zinc/03/82/19/382038219.db2.gz SQQWZOODRHUPDK-HZPDHXFCSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301212937 382107487 /nfs/dbraw/zinc/10/74/87/382107487.db2.gz WBQULCJMQXJRLF-LBPRGKRZSA-N 1 0 291.351 2.551 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO)CC2CCCCC2)c1 ZINC000362516602 382116784 /nfs/dbraw/zinc/11/67/84/382116784.db2.gz QWKLZMBJUQDRHU-UHFFFAOYSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000344018857 382070605 /nfs/dbraw/zinc/07/06/05/382070605.db2.gz MSZCBATWFJFPSL-FZMZJTMJSA-N 1 0 264.325 2.672 20 5 CFBDRO CCCC[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344020162 382072462 /nfs/dbraw/zinc/07/24/62/382072462.db2.gz NKOFVOCISIBCDE-ZDUSSCGKSA-N 1 0 279.384 2.977 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000357238123 382072426 /nfs/dbraw/zinc/07/24/26/382072426.db2.gz MDYOCXUCJDXRRE-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357237349 382072763 /nfs/dbraw/zinc/07/27/63/382072763.db2.gz LFUCGLAGPCMQDR-NSHDSACASA-N 1 0 292.383 2.705 20 5 CFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351976350 382101731 /nfs/dbraw/zinc/10/17/31/382101731.db2.gz AETXPJIBWXNYPB-NSHDSACASA-N 1 0 264.325 2.978 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000187575137 382215764 /nfs/dbraw/zinc/21/57/64/382215764.db2.gz MBKITTQLTCFKOD-INIZCTEOSA-N 1 0 292.379 2.888 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000187580454 382215799 /nfs/dbraw/zinc/21/57/99/382215799.db2.gz IELZCUVLARNKQT-OAHLLOKOSA-N 1 0 278.352 2.579 20 5 CFBDRO CC(=O)c1cc(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000357560601 382226979 /nfs/dbraw/zinc/22/69/79/382226979.db2.gz AVIOQPCPMUXREQ-NSHDSACASA-N 1 0 293.367 2.938 20 5 CFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccccc1 ZINC000362647136 382186657 /nfs/dbraw/zinc/18/66/57/382186657.db2.gz CGSPNIGEFBLRKO-ZBFHGGJFSA-N 1 0 298.346 2.847 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cnn(C)c1 ZINC000357699017 382284588 /nfs/dbraw/zinc/28/45/88/382284588.db2.gz PWYLWYKAKZPZTA-CQSZACIVSA-N 1 0 288.351 2.878 20 5 CFBDRO O=[N+]([O-])c1cccnc1SCCC[NH+]1CCCCC1 ZINC000187681560 382245729 /nfs/dbraw/zinc/24/57/29/382245729.db2.gz PRTMHRFGJBUOSX-UHFFFAOYSA-N 1 0 281.381 2.958 20 5 CFBDRO COCCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738612 382257273 /nfs/dbraw/zinc/25/72/73/382257273.db2.gz NKVQAUXXDSIEIQ-NSHDSACASA-N 1 0 281.356 2.644 20 5 CFBDRO Cc1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000302520057 382262859 /nfs/dbraw/zinc/26/28/59/382262859.db2.gz XCEFKWSKHIQPAW-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000420290507 382344189 /nfs/dbraw/zinc/34/41/89/382344189.db2.gz UNXRFIJRNLOTTI-MNOVXSKESA-N 1 0 281.331 2.972 20 5 CFBDRO CCOc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420291565 382344350 /nfs/dbraw/zinc/34/43/50/382344350.db2.gz VTHNDTBKTWTECF-RYUDHWBXSA-N 1 0 293.367 2.923 20 5 CFBDRO Cc1nccnc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000187961393 382309618 /nfs/dbraw/zinc/30/96/18/382309618.db2.gz HZXOSCAXLSWADV-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975582 382313087 /nfs/dbraw/zinc/31/30/87/382313087.db2.gz CDDFJQVFYHWNGE-SWLSCSKDSA-N 1 0 278.352 2.578 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000357773731 382313389 /nfs/dbraw/zinc/31/33/89/382313389.db2.gz IAXYKGGEDMONIY-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO CCOc1cc(N2CC[C@@H]([N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000302792861 382320748 /nfs/dbraw/zinc/32/07/48/382320748.db2.gz ZKAXFPRGJZTEKZ-CYBMUJFWSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188006848 382323145 /nfs/dbraw/zinc/32/31/45/382323145.db2.gz XGOIQVDRMLYBIA-YWPYICTPSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000352426738 382327289 /nfs/dbraw/zinc/32/72/89/382327289.db2.gz XOSCZBMCPLHZKZ-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CC2(CCO)CC2)cccc1[N+](=O)[O-] ZINC000188051993 382333535 /nfs/dbraw/zinc/33/35/35/382333535.db2.gz YOUZYONGSABMFX-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO CCC[N@@H+]1CCCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000364280839 382297354 /nfs/dbraw/zinc/29/73/54/382297354.db2.gz SFDHBPQRASWJRA-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187925695 382299371 /nfs/dbraw/zinc/29/93/71/382299371.db2.gz PFXLTWWJRRRVBL-DOMZBBRYSA-N 1 0 278.352 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420290290 382343814 /nfs/dbraw/zinc/34/38/14/382343814.db2.gz LTIODRIFJPECIV-XUJVJEKNSA-N 1 0 277.368 2.633 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000304349464 382396997 /nfs/dbraw/zinc/39/69/97/382396997.db2.gz RCACTPBTEFGFFI-CJNGLKHVSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000304019550 382370337 /nfs/dbraw/zinc/37/03/37/382370337.db2.gz DCTJHKXSNYWDKS-CABZTGNLSA-N 1 0 272.370 2.543 20 5 CFBDRO COc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000352544911 382390179 /nfs/dbraw/zinc/39/01/79/382390179.db2.gz DNWUBAOHWCAMRN-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO COc1cc(C[N@@H+]2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000352544759 382390362 /nfs/dbraw/zinc/39/03/62/382390362.db2.gz CRDQYGVKOQEXFI-UHFFFAOYSA-N 1 0 262.309 2.732 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377798184 382347219 /nfs/dbraw/zinc/34/72/19/382347219.db2.gz FHBVZXLJMNKKRE-PWSUYJOCSA-N 1 0 286.335 2.526 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352628070 382422880 /nfs/dbraw/zinc/42/28/80/382422880.db2.gz IGDDIVBXUWGVAL-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO Cc1nc(NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000420625041 382431785 /nfs/dbraw/zinc/43/17/85/382431785.db2.gz KBDYRBAYWSDKTC-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000294075413 382405587 /nfs/dbraw/zinc/40/55/87/382405587.db2.gz IAXDCACREMLTNW-CYBMUJFWSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1noc(CCC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000358115907 382458632 /nfs/dbraw/zinc/45/86/32/382458632.db2.gz VWPDAAAWKVZPSX-SNVBAGLBSA-N 1 0 290.323 2.570 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccn(C(F)F)n2)cc1 ZINC000346675805 382466618 /nfs/dbraw/zinc/46/66/18/382466618.db2.gz QSBNRRVIYIEXGP-UHFFFAOYSA-N 1 0 296.277 2.519 20 5 CFBDRO CCOC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000188777002 382474844 /nfs/dbraw/zinc/47/48/44/382474844.db2.gz PIAGPZMCBLTWGA-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188807524 382480065 /nfs/dbraw/zinc/48/00/65/382480065.db2.gz NIJOQKIIQQYMNQ-GXTWGEPZSA-N 1 0 292.379 2.969 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000308668816 382483810 /nfs/dbraw/zinc/48/38/10/382483810.db2.gz TUVCPKVUHGPFOE-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1cc(NC(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000308657865 382484132 /nfs/dbraw/zinc/48/41/32/382484132.db2.gz KIBABCYOXBLGJY-UHFFFAOYSA-N 1 0 269.320 2.794 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000037647640 184541633 /nfs/dbraw/zinc/54/16/33/184541633.db2.gz POFWIEJQLKQQPC-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358275959 382541756 /nfs/dbraw/zinc/54/17/56/382541756.db2.gz PKFOTOBTDNLXFL-GFCCVEGCSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000294966997 382556294 /nfs/dbraw/zinc/55/62/94/382556294.db2.gz ZGELNKSLCBIFOK-FIXISWKDSA-N 1 0 293.367 2.785 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](SC)C1 ZINC000295036447 382563655 /nfs/dbraw/zinc/56/36/55/382563655.db2.gz MEFVJOZINHEFAU-ZDUSSCGKSA-N 1 0 296.392 2.931 20 5 CFBDRO CSCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358324136 382568234 /nfs/dbraw/zinc/56/82/34/382568234.db2.gz WISMTBCQGXVXRY-YPMHNXCESA-N 1 0 298.408 2.668 20 5 CFBDRO COC[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353591152 382568270 /nfs/dbraw/zinc/56/82/70/382568270.db2.gz WMQGTNINTUXVDJ-RYWCDNDXSA-N 1 0 276.336 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000382397064 382530624 /nfs/dbraw/zinc/53/06/24/382530624.db2.gz URFKOGIKSFZZAE-NWANDNLSSA-N 1 0 260.337 2.916 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000189081961 382538117 /nfs/dbraw/zinc/53/81/17/382538117.db2.gz ABXJXBMBZRMJKC-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358407198 382602889 /nfs/dbraw/zinc/60/28/89/382602889.db2.gz SVVXVHMCOUZDBP-SGMGOOAPSA-N 1 0 277.368 2.504 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000389298194 382614119 /nfs/dbraw/zinc/61/41/19/382614119.db2.gz ZBWHBFOHWXQWMQ-LLVKDONJSA-N 1 0 281.331 2.937 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)CO ZINC000295329113 382618409 /nfs/dbraw/zinc/61/84/09/382618409.db2.gz XATZCCBNEDGIJC-LLVKDONJSA-N 1 0 266.341 2.606 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000189677974 382634880 /nfs/dbraw/zinc/63/48/80/382634880.db2.gz WCSAXWQACOONMX-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCC[C@@H]1O ZINC000189790340 382640954 /nfs/dbraw/zinc/64/09/54/382640954.db2.gz HRTMRFGIXACTLF-HSRYQADGSA-N 1 0 276.336 2.501 20 5 CFBDRO CC(C)(O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000189897823 382644497 /nfs/dbraw/zinc/64/44/97/382644497.db2.gz YSIGONJMQYBRQR-UHFFFAOYSA-N 1 0 298.770 2.984 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1cccs1 ZINC000190302367 382661351 /nfs/dbraw/zinc/66/13/51/382661351.db2.gz GJUVQNWCVRAHIJ-QMMMGPOBSA-N 1 0 298.393 2.828 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOCC(F)F)c1 ZINC000190889445 382683984 /nfs/dbraw/zinc/68/39/84/382683984.db2.gz HCTIMNDXYHFSFK-UHFFFAOYSA-N 1 0 294.685 2.620 20 5 CFBDRO CC1(C)CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000189728138 382637669 /nfs/dbraw/zinc/63/76/69/382637669.db2.gz YNXQVWABQJCPKK-SNVBAGLBSA-N 1 0 270.354 2.704 20 5 CFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191293946 382697954 /nfs/dbraw/zinc/69/79/54/382697954.db2.gz DUCUPEDOHISEID-UONOGXRCSA-N 1 0 278.352 2.797 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191641180 382701700 /nfs/dbraw/zinc/70/17/00/382701700.db2.gz DQOKJJNODGZWPV-AGIUHOORSA-N 1 0 280.368 2.929 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191641147 382701704 /nfs/dbraw/zinc/70/17/04/382701704.db2.gz DQOKJJNODGZWPV-AVGNSLFASA-N 1 0 280.368 2.929 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193474757 382720040 /nfs/dbraw/zinc/72/00/40/382720040.db2.gz UAXNSFWZNULFBO-LBPRGKRZSA-N 1 0 292.383 2.567 20 5 CFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000193874926 382727881 /nfs/dbraw/zinc/72/78/81/382727881.db2.gz BGDGDNCDRPCBOV-WCFLWFBJSA-N 1 0 292.335 2.587 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000336836015 382729002 /nfs/dbraw/zinc/72/90/02/382729002.db2.gz KEPLNGLJGWNQIR-QWHCGFSZSA-N 1 0 282.315 2.637 20 5 CFBDRO Cc1cc(NCC2([NH+](C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000336837280 382730062 /nfs/dbraw/zinc/73/00/62/382730062.db2.gz LXGYQKKDKYAXLJ-UHFFFAOYSA-N 1 0 281.331 2.939 20 5 CFBDRO O=[N+]([O-])c1cnc(NCCC[NH2+]C2CCCCC2)s1 ZINC000195507921 382768306 /nfs/dbraw/zinc/76/83/06/382768306.db2.gz BAXKYXVKAOBKCB-UHFFFAOYSA-N 1 0 284.385 2.776 20 5 CFBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000195510568 382768854 /nfs/dbraw/zinc/76/88/54/382768854.db2.gz GARTVRURXGLLGA-UHFFFAOYSA-N 1 0 292.364 2.595 20 5 CFBDRO CC(C)OC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000337274083 382791478 /nfs/dbraw/zinc/79/14/78/382791478.db2.gz DBYGMLOFWZBYJI-GFCCVEGCSA-N 1 0 266.341 2.540 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCCO ZINC000194215944 382737787 /nfs/dbraw/zinc/73/77/87/382737787.db2.gz QZALWNDKMTVEDB-UKRRQHHQSA-N 1 0 292.379 2.668 20 5 CFBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000219241708 382792820 /nfs/dbraw/zinc/79/28/20/382792820.db2.gz UGVPIDNOFPGFRD-DGCLKSJQSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000577097988 382847806 /nfs/dbraw/zinc/84/78/06/382847806.db2.gz NASTZRYSHZVALP-INIZCTEOSA-N 1 0 292.379 2.668 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccncc2C)cc1[N+](=O)[O-] ZINC000228671821 382848697 /nfs/dbraw/zinc/84/86/97/382848697.db2.gz OWMPNJBTAJTFAA-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223518828 382805964 /nfs/dbraw/zinc/80/59/64/382805964.db2.gz ZSZRXEWTIBELEJ-RISCZKNCSA-N 1 0 266.341 2.797 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000576590623 382828615 /nfs/dbraw/zinc/82/86/15/382828615.db2.gz OQOZQKCDUROJPA-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC000226560937 382829933 /nfs/dbraw/zinc/82/99/33/382829933.db2.gz PNWCAFBGAKLCDX-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000227651208 382839037 /nfs/dbraw/zinc/83/90/37/382839037.db2.gz GHYFYUMGWCXUOE-MRVPVSSYSA-N 1 0 284.747 2.538 20 5 CFBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000227651433 382839061 /nfs/dbraw/zinc/83/90/61/382839061.db2.gz IZUQDHBFTGVZAN-UHFFFAOYSA-N 1 0 298.774 2.930 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000227920324 382842446 /nfs/dbraw/zinc/84/24/46/382842446.db2.gz WTEDQULTQDGWFO-SNVBAGLBSA-N 1 0 269.320 2.876 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577005490 382844449 /nfs/dbraw/zinc/84/44/49/382844449.db2.gz ZHHXYJNIBODGRK-SMDDNHRTSA-N 1 0 278.352 2.723 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441345256 382909175 /nfs/dbraw/zinc/90/91/75/382909175.db2.gz GLQOOTRGLZPIJY-SMDDNHRTSA-N 1 0 294.351 2.603 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C(C)(C)C ZINC000577488583 382860944 /nfs/dbraw/zinc/86/09/44/382860944.db2.gz DFUVWMODOFLFAA-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000234041899 382872994 /nfs/dbraw/zinc/87/29/94/382872994.db2.gz UKXYLMFZIHRZFQ-DFBGVHRSSA-N 1 0 278.352 2.797 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000578762476 382952692 /nfs/dbraw/zinc/95/26/92/382952692.db2.gz QEOFYWVKEXPYEO-UHFFFAOYSA-N 1 0 292.383 2.621 20 5 CFBDRO CON1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000421883000 382959355 /nfs/dbraw/zinc/95/93/55/382959355.db2.gz SLPVUNLFWNBKDA-LBPRGKRZSA-N 1 0 293.367 2.580 20 5 CFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000441389930 382913092 /nfs/dbraw/zinc/91/30/92/382913092.db2.gz XZEHEXGCLALEOX-UHFFFAOYSA-N 1 0 294.351 2.857 20 5 CFBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441436432 382914397 /nfs/dbraw/zinc/91/43/97/382914397.db2.gz ODJBKERDIKKPPI-NEPJUHHUSA-N 1 0 294.351 2.713 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441632782 382921331 /nfs/dbraw/zinc/92/13/31/382921331.db2.gz GDTYAWZIRBPKSL-RYUDHWBXSA-N 1 0 294.326 2.592 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)CCO ZINC000579317651 383002756 /nfs/dbraw/zinc/00/27/56/383002756.db2.gz MBMGMSSMAKPZHG-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000495179162 382967961 /nfs/dbraw/zinc/96/79/61/382967961.db2.gz YWMHBVDYJVGEGV-GFCCVEGCSA-N 1 0 282.315 2.781 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000551275009 383037975 /nfs/dbraw/zinc/03/79/75/383037975.db2.gz XUDJZISFHNYJSC-NHYWBVRUSA-N 1 0 278.352 2.979 20 5 CFBDRO CCC[NH2+]CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423310492 383056933 /nfs/dbraw/zinc/05/69/33/383056933.db2.gz NMLQEQQBRNMWAT-HNNXBMFYSA-N 1 0 291.395 2.906 20 5 CFBDRO Cc1ccc([C@@H](C)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423358702 383062806 /nfs/dbraw/zinc/06/28/06/383062806.db2.gz JTSSAZYWZRRDQY-TZMCWYRMSA-N 1 0 277.368 2.696 20 5 CFBDRO COC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000552069045 383068418 /nfs/dbraw/zinc/06/84/18/383068418.db2.gz MQLIVBPTHYJKNA-CYBMUJFWSA-N 1 0 288.294 2.634 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000554179268 383126354 /nfs/dbraw/zinc/12/63/54/383126354.db2.gz KXAAXKJGDGLYDX-SECBINFHSA-N 1 0 274.324 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246969037 383126836 /nfs/dbraw/zinc/12/68/36/383126836.db2.gz XTAUKPGMEXHNSC-GOEBONIOSA-N 1 0 290.363 2.638 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000423467357 383107494 /nfs/dbraw/zinc/10/74/94/383107494.db2.gz DSYHJKZAPIRXSS-MFKMUULPSA-N 1 0 299.321 2.551 20 5 CFBDRO C[C@H]([NH3+])[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423472281 383109644 /nfs/dbraw/zinc/10/96/44/383109644.db2.gz QBBQURNERWQUEU-PKFCDNJMSA-N 1 0 277.368 2.643 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nccs1 ZINC000449108568 383180042 /nfs/dbraw/zinc/18/00/42/383180042.db2.gz RYZQJPRLRFNHIU-NSHDSACASA-N 1 0 291.376 2.815 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCOCC1 ZINC000566571689 383189796 /nfs/dbraw/zinc/18/97/96/383189796.db2.gz JGNXERLCLCPSMH-AWEZNQCLSA-N 1 0 276.336 2.598 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449269122 383192224 /nfs/dbraw/zinc/19/22/24/383192224.db2.gz LXCMXIRWGPYIJV-SRVKXCTJSA-N 1 0 266.341 2.539 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000449282232 383198150 /nfs/dbraw/zinc/19/81/50/383198150.db2.gz GYUKVVDDMMODRL-VIFPVBQESA-N 1 0 270.279 2.913 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000247152363 383147760 /nfs/dbraw/zinc/14/77/60/383147760.db2.gz XCOLLKDOWXBVNM-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000511606714 383150537 /nfs/dbraw/zinc/15/05/37/383150537.db2.gz WYWLOWNEXKBAFK-ZLKJLUDKSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1F ZINC000339585915 383254279 /nfs/dbraw/zinc/25/42/79/383254279.db2.gz CVFAUUAIGLPLKB-STQMWFEESA-N 1 0 252.289 2.883 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339618591 383263226 /nfs/dbraw/zinc/26/32/26/383263226.db2.gz HBAOWAMQMWTZIL-IHRRRGAJSA-N 1 0 291.395 2.989 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CCCO ZINC000449407584 383272621 /nfs/dbraw/zinc/27/26/21/383272621.db2.gz ILHFZOKFOYWLGT-OZYJXZHSSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000449408532 383273577 /nfs/dbraw/zinc/27/35/77/383273577.db2.gz OJMZWTPPANZQLW-GFCCVEGCSA-N 1 0 280.368 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000248324956 383223901 /nfs/dbraw/zinc/22/39/01/383223901.db2.gz AXYHNWNQLATRFZ-CMPLNLGQSA-N 1 0 291.351 2.572 20 5 CFBDRO CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000339541826 383237053 /nfs/dbraw/zinc/23/70/53/383237053.db2.gz VIFGNYLVFBWIFE-IUCKJTJTSA-N 1 0 278.352 2.747 20 5 CFBDRO C[C@H](CCO)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449360298 383238136 /nfs/dbraw/zinc/23/81/36/383238136.db2.gz SOFZHKPPOBHANP-AGLBCWCQSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519834048 383240504 /nfs/dbraw/zinc/24/05/04/383240504.db2.gz RSEXXKRXPQLIEI-GXFFZTMASA-N 1 0 278.352 2.721 20 5 CFBDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492060 383330550 /nfs/dbraw/zinc/33/05/50/383330550.db2.gz BDZCITVGLOLTFV-VWEWAFOGSA-N 1 0 290.363 2.965 20 5 CFBDRO Cc1cc[nH+]c(NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000340077343 383349642 /nfs/dbraw/zinc/34/96/42/383349642.db2.gz KKFFGPZMRHGYEQ-UHFFFAOYSA-N 1 0 257.293 2.953 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cs1 ZINC000449514782 383349660 /nfs/dbraw/zinc/34/96/60/383349660.db2.gz YWKPYDLAQDUQDM-OCCSQVGLSA-N 1 0 296.392 2.543 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567725131 383306769 /nfs/dbraw/zinc/30/67/69/383306769.db2.gz WAOYBJASBUWJFX-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000568472432 383405431 /nfs/dbraw/zinc/40/54/31/383405431.db2.gz UUOOYLKXVQCYDI-MNOVXSKESA-N 1 0 297.330 2.650 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340230387 383386059 /nfs/dbraw/zinc/38/60/59/383386059.db2.gz HGCGSVWPODSESA-IAQYHMDHSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H](F)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000340458425 383424248 /nfs/dbraw/zinc/42/42/48/383424248.db2.gz GHDDNSMIXQLUPO-SRVKXCTJSA-N 1 0 284.335 2.613 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674154 383425399 /nfs/dbraw/zinc/42/53/99/383425399.db2.gz PIUJFWSRZSJOKF-GJZGRUSLSA-N 1 0 289.379 2.620 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000252674576 383427596 /nfs/dbraw/zinc/42/75/96/383427596.db2.gz SJFHPLCHIYPGSX-MNOVXSKESA-N 1 0 279.315 2.773 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000340489022 383439835 /nfs/dbraw/zinc/43/98/35/383439835.db2.gz IGFHRNGSWYYYKL-IINYFYTJSA-N 1 0 264.325 2.670 20 5 CFBDRO COC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000527105020 383452904 /nfs/dbraw/zinc/45/29/04/383452904.db2.gz XQLUVLKMUBLDPO-JTQLQIEISA-N 1 0 286.759 2.663 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1O ZINC000568983612 383455649 /nfs/dbraw/zinc/45/56/49/383455649.db2.gz MMYQPLHMUUDVSI-GHMZBOCLSA-N 1 0 298.314 2.679 20 5 CFBDRO CC(C)[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488011661 383488293 /nfs/dbraw/zinc/48/82/93/383488293.db2.gz RVKJYQQLGYTOOK-CJNGLKHVSA-N 1 0 291.395 2.928 20 5 CFBDRO CCn1ccnc1[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000450828047 383507766 /nfs/dbraw/zinc/50/77/66/383507766.db2.gz JDYSBCQBHBESJO-SNVBAGLBSA-N 1 0 275.312 2.688 20 5 CFBDRO CC[C@H]([NH2+][C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429461431 383534045 /nfs/dbraw/zinc/53/40/45/383534045.db2.gz JWYPPCONCJEZOD-JQWIXIFHSA-N 1 0 288.294 2.652 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429467072 383535872 /nfs/dbraw/zinc/53/58/72/383535872.db2.gz ZOADSZZWQYIVLN-ONGXEEELSA-N 1 0 288.294 2.570 20 5 CFBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)CCC1 ZINC000261933263 383582094 /nfs/dbraw/zinc/58/20/94/383582094.db2.gz LSQBHVODKCZMQG-UHFFFAOYSA-N 1 0 294.698 2.636 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000341155095 383585876 /nfs/dbraw/zinc/58/58/76/383585876.db2.gz ZQTOABKJQMDVBH-GFCCVEGCSA-N 1 0 280.372 2.831 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000570540980 383612743 /nfs/dbraw/zinc/61/27/43/383612743.db2.gz DPNQVTMGTQVDTP-UHIISALHSA-N 1 0 264.325 2.608 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450948200 383562895 /nfs/dbraw/zinc/56/28/95/383562895.db2.gz FDOWFZMAOINGLM-CQSZACIVSA-N 1 0 277.368 2.822 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770647 383567533 /nfs/dbraw/zinc/56/75/33/383567533.db2.gz KSXKGUBJEIILMA-NEPJUHHUSA-N 1 0 296.342 2.717 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451498186 383629013 /nfs/dbraw/zinc/62/90/13/383629013.db2.gz MXGNLQOJDJDGOF-CHWSQXEVSA-N 1 0 282.315 2.637 20 5 CFBDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264988347 383812447 /nfs/dbraw/zinc/81/24/47/383812447.db2.gz ATHYCNVGPLBINI-UHFFFAOYSA-N 1 0 279.340 2.654 20 5 CFBDRO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453243986 383812458 /nfs/dbraw/zinc/81/24/58/383812458.db2.gz CDTISTKFQFCKBN-SLEUVZQESA-N 1 0 277.368 2.586 20 5 CFBDRO Cc1ncncc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000572735042 383812963 /nfs/dbraw/zinc/81/29/63/383812963.db2.gz OIYIGYZDMOMILA-LLVKDONJSA-N 1 0 286.335 2.852 20 5 CFBDRO CCN1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000453244006 383814264 /nfs/dbraw/zinc/81/42/64/383814264.db2.gz CDTISTKFQFCKBN-XUJVJEKNSA-N 1 0 277.368 2.586 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453354055 383848048 /nfs/dbraw/zinc/84/80/48/383848048.db2.gz IFAWNMNXIBUTKP-CABCVRRESA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H](CC[NH+](C)C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984324 383853466 /nfs/dbraw/zinc/85/34/66/383853466.db2.gz AACBSSRXJKMNJC-SMDDNHRTSA-N 1 0 277.368 2.512 20 5 CFBDRO CC1(C)C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000453578685 383855755 /nfs/dbraw/zinc/85/57/55/383855755.db2.gz JAVHHUHJPSIKKH-GFCCVEGCSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000573157870 383881149 /nfs/dbraw/zinc/88/11/49/383881149.db2.gz CVTZFBTXIOHNMK-LBPRGKRZSA-N 1 0 278.356 2.501 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531718352 383911165 /nfs/dbraw/zinc/91/11/65/383911165.db2.gz VXKLEQNQAXKVKJ-JVLSTEMRSA-N 1 0 280.368 2.961 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000265454469 383922609 /nfs/dbraw/zinc/92/26/09/383922609.db2.gz CXPZQWLUBMSMHC-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000573185494 383884753 /nfs/dbraw/zinc/88/47/53/383884753.db2.gz LACJZHHFIYNBAJ-SNVBAGLBSA-N 1 0 294.330 2.558 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000531697438 383906376 /nfs/dbraw/zinc/90/63/76/383906376.db2.gz RARKXIQDPNCRMJ-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000438354536 383990241 /nfs/dbraw/zinc/99/02/41/383990241.db2.gz GJVAFKOTOAOXIE-IJLUTSLNSA-N 1 0 264.325 2.593 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000531949551 383946173 /nfs/dbraw/zinc/94/61/73/383946173.db2.gz ZZADMPALIBZTSG-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000531962929 383948159 /nfs/dbraw/zinc/94/81/59/383948159.db2.gz JJFFEGVGUAQAIC-OLZOCXBDSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1nccn1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531963649 383948556 /nfs/dbraw/zinc/94/85/56/383948556.db2.gz KKHLDMSDFREJDE-LBPRGKRZSA-N 1 0 288.351 2.759 20 5 CFBDRO COCC1([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000573653937 383967817 /nfs/dbraw/zinc/96/78/17/383967817.db2.gz IJKJDHSEBWWHFL-AWEZNQCLSA-N 1 0 276.336 2.741 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000439659362 384038406 /nfs/dbraw/zinc/03/84/06/384038406.db2.gz FFLMFVLAVFSXFE-STQMWFEESA-N 1 0 267.304 2.629 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574292304 384075522 /nfs/dbraw/zinc/07/55/22/384075522.db2.gz OAORPJQADSIIGC-GXTWGEPZSA-N 1 0 276.336 2.739 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000574875816 384156904 /nfs/dbraw/zinc/15/69/04/384156904.db2.gz XVOSIVMUGAHBJZ-PJXYFTJBSA-N 1 0 294.351 2.649 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)ccc1Cl ZINC000190342067 285086842 /nfs/dbraw/zinc/08/68/42/285086842.db2.gz PQOCRRDXFSUHAD-MPKXVKKWSA-N 1 0 296.754 2.905 20 5 CFBDRO CSCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000266729234 384228040 /nfs/dbraw/zinc/22/80/40/384228040.db2.gz KGBACRQSRXWUHV-UHFFFAOYSA-N 1 0 254.355 2.780 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266836344 384244865 /nfs/dbraw/zinc/24/48/65/384244865.db2.gz FPULWVHILRKAEE-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266836348 384245132 /nfs/dbraw/zinc/24/51/32/384245132.db2.gz FPULWVHILRKAEE-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267001150 384277764 /nfs/dbraw/zinc/27/77/64/384277764.db2.gz CUUUNRQKOLBEOS-GFCCVEGCSA-N 1 0 296.342 2.982 20 5 CFBDRO COc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000267262755 384339905 /nfs/dbraw/zinc/33/99/05/384339905.db2.gz KUPMFRGVCOSIQO-WCQYABFASA-N 1 0 293.367 2.888 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CC(F)(F)C1 ZINC000277709630 384381683 /nfs/dbraw/zinc/38/16/83/384381683.db2.gz SELJVJMMKAGEHD-HWKANZROSA-N 1 0 268.263 2.995 20 5 CFBDRO CC(C)C(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289410287 197333353 /nfs/dbraw/zinc/33/33/53/197333353.db2.gz LTGUGMJYQLAZRH-UHFFFAOYSA-N 1 0 278.352 2.684 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000061588252 285115759 /nfs/dbraw/zinc/11/57/59/285115759.db2.gz IRKHKYDXOZKQBH-NSHDSACASA-N 1 0 252.339 2.580 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@@H+](C2CC2)CC1 ZINC000376173699 285117515 /nfs/dbraw/zinc/11/75/15/285117515.db2.gz PHNIBOSWTTXHOH-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccs2)cc1 ZINC000020052954 285114928 /nfs/dbraw/zinc/11/49/28/285114928.db2.gz KRDVTRVRYHTQQQ-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268962039 384702494 /nfs/dbraw/zinc/70/24/94/384702494.db2.gz XYADPIODIPXDSH-GOEBONIOSA-N 1 0 292.379 2.522 20 5 CFBDRO C[C@]1(O)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000279676209 384718627 /nfs/dbraw/zinc/71/86/27/384718627.db2.gz NZTMTFFDGKOJHM-RRGWEWPQSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739323 384743057 /nfs/dbraw/zinc/74/30/57/384743057.db2.gz KKPUWBVDDFEMGF-DGCLKSJQSA-N 1 0 296.342 2.859 20 5 CFBDRO CCC(C)(C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269664867 384827756 /nfs/dbraw/zinc/82/77/56/384827756.db2.gz RLUMMGUEENVUDK-CYBMUJFWSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269602924 384802316 /nfs/dbraw/zinc/80/23/16/384802316.db2.gz AYSUVKQXHAIWMH-TVQRCGJNSA-N 1 0 299.321 2.649 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCOC1)CCC2 ZINC000192708389 285145287 /nfs/dbraw/zinc/14/52/87/285145287.db2.gz PZNCGRBJLBQHDO-MLGOLLRUSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000280355188 384988426 /nfs/dbraw/zinc/98/84/26/384988426.db2.gz JIWDODHIENYSGS-LLVKDONJSA-N 1 0 296.342 2.717 20 5 CFBDRO CC(C)n1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000280428090 385012680 /nfs/dbraw/zinc/01/26/80/385012680.db2.gz XHOJQLRNIDOPRH-UHFFFAOYSA-N 1 0 274.324 2.662 20 5 CFBDRO CSC1(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000289224195 197268243 /nfs/dbraw/zinc/26/82/43/197268243.db2.gz XXTHWLLOFCFPQG-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO C[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000270335025 385060952 /nfs/dbraw/zinc/06/09/52/385060952.db2.gz YERISFFTPFNSDI-UKRRQHHQSA-N 1 0 298.346 2.847 20 5 CFBDRO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000280638269 385096174 /nfs/dbraw/zinc/09/61/74/385096174.db2.gz YAWFNPRQOGXXSH-GFCCVEGCSA-N 1 0 278.352 2.578 20 5 CFBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270712299 385202165 /nfs/dbraw/zinc/20/21/65/385202165.db2.gz IJCIWFMIWZPYHK-NSHDSACASA-N 1 0 266.341 2.749 20 5 CFBDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282181958 385239825 /nfs/dbraw/zinc/23/98/25/385239825.db2.gz FRQGVQVLRSYRIL-ZUOKHONESA-N 1 0 296.392 2.547 20 5 CFBDRO Cc1nnc([C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282400634 385300683 /nfs/dbraw/zinc/30/06/83/385300683.db2.gz HRLPNUXLZQTADG-JTQLQIEISA-N 1 0 290.323 2.522 20 5 CFBDRO CCC(CC)(CCO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000282521460 385333188 /nfs/dbraw/zinc/33/31/88/385333188.db2.gz TZFYLOUCYUSTQG-UHFFFAOYSA-N 1 0 296.367 2.504 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000271122876 385342617 /nfs/dbraw/zinc/34/26/17/385342617.db2.gz JTUVFJXTHCUCKV-RYUDHWBXSA-N 1 0 295.383 2.594 20 5 CFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651968 385361538 /nfs/dbraw/zinc/36/15/38/385361538.db2.gz CIYVZMQRAHZIMJ-CABCVRRESA-N 1 0 296.342 2.859 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000153061468 285161953 /nfs/dbraw/zinc/16/19/53/285161953.db2.gz QPDAMBOPGSFDJW-GJZGRUSLSA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000272011137 385424930 /nfs/dbraw/zinc/42/49/30/385424930.db2.gz KMMOZDQYHRUAML-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264637614 285164158 /nfs/dbraw/zinc/16/41/58/285164158.db2.gz VENWWNALIXIEPG-ZDUSSCGKSA-N 1 0 275.352 2.659 20 5 CFBDRO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000283293993 385453348 /nfs/dbraw/zinc/45/33/48/385453348.db2.gz YCVRJEZRCZNGDU-YPMHNXCESA-N 1 0 295.358 2.648 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000283386161 385460994 /nfs/dbraw/zinc/46/09/94/385460994.db2.gz DOILZIMWAVIJBS-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC1=CCCOC1 ZINC000272291072 385500572 /nfs/dbraw/zinc/50/05/72/385500572.db2.gz MLVVDFMZDTVGTO-UHFFFAOYSA-N 1 0 296.754 2.727 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283856752 385507669 /nfs/dbraw/zinc/50/76/69/385507669.db2.gz BJTUYQHTNMXVSZ-PSOPSSQASA-N 1 0 293.367 2.785 20 5 CFBDRO COCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000284063397 385529765 /nfs/dbraw/zinc/52/97/65/385529765.db2.gz QALZGVWHAIPATQ-QPJJXVBHSA-N 1 0 276.336 2.767 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000272597312 385572166 /nfs/dbraw/zinc/57/21/66/385572166.db2.gz UOBTWGWMIKLMJU-GOEBONIOSA-N 1 0 292.379 2.620 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272748161 385602687 /nfs/dbraw/zinc/60/26/87/385602687.db2.gz DRCPJLNSCHUNTO-LBPRGKRZSA-N 1 0 275.352 2.966 20 5 CFBDRO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286508359 385636933 /nfs/dbraw/zinc/63/69/33/385636933.db2.gz WXUYZISHMJVZEN-YIONKMFJSA-N 1 0 289.379 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000275031663 385916344 /nfs/dbraw/zinc/91/63/44/385916344.db2.gz CMAKIEFOEIUZDL-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cncn2C)cc1[N+](=O)[O-] ZINC000276669593 386009258 /nfs/dbraw/zinc/00/92/58/386009258.db2.gz OYGGGZPJNCHLBM-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276690668 386016393 /nfs/dbraw/zinc/01/63/93/386016393.db2.gz WFCRDWVAAZFMAG-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276916897 386079243 /nfs/dbraw/zinc/07/92/43/386079243.db2.gz KBJMPDWMNFSGEV-LLVKDONJSA-N 1 0 299.330 2.815 20 5 CFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276934655 386085061 /nfs/dbraw/zinc/08/50/61/386085061.db2.gz RKFVHTXFTJZFER-LLVKDONJSA-N 1 0 264.325 2.978 20 5 CFBDRO CCOc1cc(CN2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276944915 386086870 /nfs/dbraw/zinc/08/68/70/386086870.db2.gz STEQEBCFGZFDFH-VXGBXAGGSA-N 1 0 294.351 2.603 20 5 CFBDRO CC(C)(CNc1ccc(N)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000287794668 196943778 /nfs/dbraw/zinc/94/37/78/196943778.db2.gz OZPRQKCCTRLZJK-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287173161 196794928 /nfs/dbraw/zinc/79/49/28/196794928.db2.gz UTNICRRVYIEQAE-LLVKDONJSA-N 1 0 262.309 2.592 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414063189 533223119 /nfs/dbraw/zinc/22/31/19/533223119.db2.gz CNAMNJOTBZQOEA-BREBYQMCSA-N 1 0 264.325 2.738 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425342402 533223419 /nfs/dbraw/zinc/22/34/19/533223419.db2.gz HDYGCCTWYKYUIM-YPMHNXCESA-N 1 0 282.365 2.587 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCCF)C2)nc1 ZINC000341908858 130121047 /nfs/dbraw/zinc/12/10/47/130121047.db2.gz GCIGCEMITMXZNO-LBPRGKRZSA-N 1 0 296.346 2.616 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191639149 130267824 /nfs/dbraw/zinc/26/78/24/130267824.db2.gz PDBXFXBTFQKKLO-SDDRHHMPSA-N 1 0 266.341 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)CCC2 ZINC000193348970 130614491 /nfs/dbraw/zinc/61/44/91/130614491.db2.gz MHWNTRDQYGPUCJ-WPGHFRTFSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000230692646 130907182 /nfs/dbraw/zinc/90/71/82/130907182.db2.gz LLIHUIUKEGALRR-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245817663 131088945 /nfs/dbraw/zinc/08/89/45/131088945.db2.gz SHBHEOWWYUFXMB-IUODEOHRSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344577 131115120 /nfs/dbraw/zinc/11/51/20/131115120.db2.gz LTUUSSNXXIEVOH-WOPDTQHZSA-N 1 0 291.351 2.652 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000248534344 131115729 /nfs/dbraw/zinc/11/57/29/131115729.db2.gz VGHCYRMVDNDIJV-COPLHBTASA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)C1 ZINC000266542886 131748126 /nfs/dbraw/zinc/74/81/26/131748126.db2.gz QMUONUXYFCTRBF-CHWSQXEVSA-N 1 0 277.368 2.682 20 5 CFBDRO C[C@H]([NH2+]Cc1cccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000267459832 131873417 /nfs/dbraw/zinc/87/34/17/131873417.db2.gz UQXWQGRWVZCXFU-NSHDSACASA-N 1 0 259.309 2.784 20 5 CFBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+]1CCCC1 ZINC000268435804 132009194 /nfs/dbraw/zinc/00/91/94/132009194.db2.gz BYCXJRAZFNRENN-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268535245 132023263 /nfs/dbraw/zinc/02/32/63/132023263.db2.gz YBLOZYNJNPEWBH-CYBMUJFWSA-N 1 0 292.383 2.688 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000268893873 132084524 /nfs/dbraw/zinc/08/45/24/132084524.db2.gz OPOASHDCCASVRZ-FZMZJTMJSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000268923778 132088719 /nfs/dbraw/zinc/08/87/19/132088719.db2.gz KNAFXIWFWIJZHK-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000183474314 393519659 /nfs/dbraw/zinc/51/96/59/393519659.db2.gz HULAJFBXJDCIHK-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000312850479 393521908 /nfs/dbraw/zinc/52/19/08/393521908.db2.gz WCUJNYLQCWWMIC-ONGXEEELSA-N 1 0 281.331 2.606 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCC2)c(Cl)c1 ZINC000184366888 393528009 /nfs/dbraw/zinc/52/80/09/393528009.db2.gz SUUQQKYCDSPEFE-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000186798319 393549261 /nfs/dbraw/zinc/54/92/61/393549261.db2.gz ZEKVCHLBOXNNCB-ZLKJLUDKSA-N 1 0 264.325 2.549 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CCO)CC1)CCC2 ZINC000193319491 393648330 /nfs/dbraw/zinc/64/83/30/393648330.db2.gz SCHIEJNKNYXSER-HNNXBMFYSA-N 1 0 290.363 2.724 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CCC1)CCC2 ZINC000193281970 393648345 /nfs/dbraw/zinc/64/83/45/393648345.db2.gz WDINEMREMKCYLE-OAHLLOKOSA-N 1 0 290.363 2.724 20 5 CFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193313550 393648365 /nfs/dbraw/zinc/64/83/65/393648365.db2.gz FNBRWFZFZHUVKA-RBSFLKMASA-N 1 0 290.363 2.721 20 5 CFBDRO CCOc1cc(NCC[N@H+](CC)C2CC2)ccc1[N+](=O)[O-] ZINC000080984601 393730322 /nfs/dbraw/zinc/73/03/22/393730322.db2.gz KPEOTARAHDESFN-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000090716829 393781347 /nfs/dbraw/zinc/78/13/47/393781347.db2.gz QSYYOVFCNMGNBA-FZMZJTMJSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000112209040 393889895 /nfs/dbraw/zinc/88/98/95/393889895.db2.gz DVADYBYKXUKKOC-LBPRGKRZSA-N 1 0 275.352 2.799 20 5 CFBDRO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000470175821 393898563 /nfs/dbraw/zinc/89/85/63/393898563.db2.gz SQHVQZYOUBWYEB-LVRJJXTDSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114475507 393900164 /nfs/dbraw/zinc/90/01/64/393900164.db2.gz DLXWFNCGFLSUQN-LLVKDONJSA-N 1 0 293.367 2.866 20 5 CFBDRO C[C@@H](O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114771606 393902750 /nfs/dbraw/zinc/90/27/50/393902750.db2.gz OIKFFXUNDZTFCP-LLVKDONJSA-N 1 0 290.319 2.715 20 5 CFBDRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246212333 393855223 /nfs/dbraw/zinc/85/52/23/393855223.db2.gz KKMBZLGXJGIBGT-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000251600469 393932341 /nfs/dbraw/zinc/93/23/41/393932341.db2.gz ZEKVCHLBOXNNCB-LEWSCRJBSA-N 1 0 264.325 2.549 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000429266733 393949582 /nfs/dbraw/zinc/94/95/82/393949582.db2.gz VMYBRVMLECLUHF-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO C[NH+](C)CCSc1ccc2ncccc2c1[N+](=O)[O-] ZINC000126008723 394018247 /nfs/dbraw/zinc/01/82/47/394018247.db2.gz CJAGHQNDAZHETP-UHFFFAOYSA-N 1 0 277.349 2.797 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@H]1OC ZINC000430201549 393967005 /nfs/dbraw/zinc/96/70/05/393967005.db2.gz KONUXVPOXYUPGW-UONOGXRCSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000430229035 393970497 /nfs/dbraw/zinc/97/04/97/393970497.db2.gz UKARKYAZPWGHOJ-GFCCVEGCSA-N 1 0 296.367 2.849 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430259211 393974315 /nfs/dbraw/zinc/97/43/15/393974315.db2.gz DYBXIQVHFCWCFZ-LBPRGKRZSA-N 1 0 276.336 2.872 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000270108976 394009997 /nfs/dbraw/zinc/00/99/97/394009997.db2.gz MHOWMCFZOQLEAK-LALPHHSUSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125773325 394013851 /nfs/dbraw/zinc/01/38/51/394013851.db2.gz PYHYUXAVLVQBOU-LBPRGKRZSA-N 1 0 264.325 2.706 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354416241 394047097 /nfs/dbraw/zinc/04/70/97/394047097.db2.gz OHTCNQKUATYRPB-BBRMVZONSA-N 1 0 292.379 2.932 20 5 CFBDRO COc1cc(CN2CCC=C(C)C2)c([N+](=O)[O-])cc1OC ZINC000437345256 394053933 /nfs/dbraw/zinc/05/39/33/394053933.db2.gz IDILJKMITYGGMN-UHFFFAOYSA-N 1 0 292.335 2.764 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC[C@@H]1CCOC1 ZINC000437786106 394075099 /nfs/dbraw/zinc/07/50/99/394075099.db2.gz BQUNGAPKGFUWQG-LLVKDONJSA-N 1 0 298.770 2.807 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357237348 394085330 /nfs/dbraw/zinc/08/53/30/394085330.db2.gz LFUCGLAGPCMQDR-LLVKDONJSA-N 1 0 292.383 2.705 20 5 CFBDRO Cc1cc(NC[C@H](C)C[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420208733 394095846 /nfs/dbraw/zinc/09/58/46/394095846.db2.gz BGNKQSXVSLSXLU-SSDOTTSWSA-N 1 0 291.273 2.929 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1CC[NH2+]C1 ZINC000420226537 394099960 /nfs/dbraw/zinc/09/99/60/394099960.db2.gz GXEGLTHMNPJJFC-SSDOTTSWSA-N 1 0 290.150 2.923 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000439779216 394130372 /nfs/dbraw/zinc/13/03/72/394130372.db2.gz CNVRESRGGSNOLH-GHGZQGFNSA-N 1 0 290.363 2.843 20 5 CFBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360084560 394145362 /nfs/dbraw/zinc/14/53/62/394145362.db2.gz UBLUXAPXSQQJGT-GHMZBOCLSA-N 1 0 281.331 2.571 20 5 CFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000444759559 394146430 /nfs/dbraw/zinc/14/64/30/394146430.db2.gz GNKURDCDSVIVDN-INIZCTEOSA-N 1 0 292.379 2.764 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420995147 394149285 /nfs/dbraw/zinc/14/92/85/394149285.db2.gz DESJMKCGDCLOHI-ZFWWWQNUSA-N 1 0 291.395 2.990 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421005902 394154559 /nfs/dbraw/zinc/15/45/59/394154559.db2.gz AQQUEKCDPFOXBD-LBPRGKRZSA-N 1 0 296.342 2.718 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286434992 394197090 /nfs/dbraw/zinc/19/70/90/394197090.db2.gz SDANVJYKPBWIPK-IUODEOHRSA-N 1 0 275.352 2.658 20 5 CFBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421366807 394204151 /nfs/dbraw/zinc/20/41/51/394204151.db2.gz VTJRGTJISFICHP-GNXSNYGWSA-N 1 0 290.363 2.558 20 5 CFBDRO CCOCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219855 394212907 /nfs/dbraw/zinc/21/29/07/394212907.db2.gz VCUCYBKZJGPLNK-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO COCCOCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000289134287 394216139 /nfs/dbraw/zinc/21/61/39/394216139.db2.gz YCIXDSBCUCBLEP-ZDUSSCGKSA-N 1 0 296.367 2.559 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110741 394216344 /nfs/dbraw/zinc/21/63/44/394216344.db2.gz GJLOQFNQKQAJKF-RYUDHWBXSA-N 1 0 266.341 2.540 20 5 CFBDRO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000135303625 394216611 /nfs/dbraw/zinc/21/66/11/394216611.db2.gz BEUYKTSCNNDCSY-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366083156 394239684 /nfs/dbraw/zinc/23/96/84/394239684.db2.gz JPDBVAIODSKWIH-QWHCGFSZSA-N 1 0 293.342 2.797 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187461 394245876 /nfs/dbraw/zinc/24/58/76/394245876.db2.gz DIDNJVKZLGKFNV-QWHCGFSZSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCOCC1 ZINC000449190267 394247120 /nfs/dbraw/zinc/24/71/20/394247120.db2.gz QMJZKJRZHHURHL-STQMWFEESA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422916816 394259262 /nfs/dbraw/zinc/25/92/62/394259262.db2.gz BOAUYHSHBGNUTE-OBJOEFQTSA-N 1 0 277.368 2.694 20 5 CFBDRO CC[C@@H]([NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423482957 394284014 /nfs/dbraw/zinc/28/40/14/394284014.db2.gz XNOFHDOANRIXQV-YGRLFVJLSA-N 1 0 277.368 2.644 20 5 CFBDRO CC[C@@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423522006 394289165 /nfs/dbraw/zinc/28/91/65/394289165.db2.gz GYKJVTHAZRDTGE-OAHLLOKOSA-N 1 0 277.368 2.778 20 5 CFBDRO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099598 394357007 /nfs/dbraw/zinc/35/70/07/394357007.db2.gz MVDYZDYVJOYSIN-NSHDSACASA-N 1 0 293.367 2.550 20 5 CFBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451287503 394373463 /nfs/dbraw/zinc/37/34/63/394373463.db2.gz GDTKLAKHXYUDJR-CQSZACIVSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1c([C@@H](C)NCCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000519762641 394377747 /nfs/dbraw/zinc/37/77/47/394377747.db2.gz JIELOEYWCKDSIK-CYBMUJFWSA-N 1 0 279.384 2.942 20 5 CFBDRO CC/C=C/C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453323848 394385534 /nfs/dbraw/zinc/38/55/34/394385534.db2.gz QFSGYRCNQLCTAD-OIOWFRMASA-N 1 0 278.356 2.831 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453354063 394389863 /nfs/dbraw/zinc/38/98/63/394389863.db2.gz IFAWNMNXIBUTKP-LSDHHAIUSA-N 1 0 290.363 2.987 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O ZINC000539054283 394621309 /nfs/dbraw/zinc/62/13/09/394621309.db2.gz FOYXPHNPAJPUII-JOOBJXAISA-N 1 0 298.408 2.711 20 5 CFBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000540036188 394641191 /nfs/dbraw/zinc/64/11/91/394641191.db2.gz CIVIMQWFNDDKGY-BXUZGUMPSA-N 1 0 275.352 2.798 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000542931076 394718760 /nfs/dbraw/zinc/71/87/60/394718760.db2.gz DXPUODUCDQPCQN-UHFFFAOYSA-N 1 0 284.743 2.859 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000558980085 395080672 /nfs/dbraw/zinc/08/06/72/395080672.db2.gz CIRPAAFXBDZACB-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000356850383 155394603 /nfs/dbraw/zinc/39/46/03/155394603.db2.gz QFKYTOHMMLNNAY-JSGCOSHPSA-N 1 0 278.352 2.542 20 5 CFBDRO CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000345560746 154206058 /nfs/dbraw/zinc/20/60/58/154206058.db2.gz RWBBYDJJFZXYKT-ZDUSSCGKSA-N 1 0 293.367 2.962 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000348065359 154304217 /nfs/dbraw/zinc/30/42/17/154304217.db2.gz QJPQDPNTPSOLEH-STQMWFEESA-N 1 0 276.336 2.882 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348107160 154323071 /nfs/dbraw/zinc/32/30/71/154323071.db2.gz IXCHSUOZEZZNAX-UONOGXRCSA-N 1 0 276.336 2.882 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348128915 154332020 /nfs/dbraw/zinc/33/20/20/154332020.db2.gz WLHZHFBQXHHROH-KBPBESRZSA-N 1 0 260.337 2.916 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000348274972 154389579 /nfs/dbraw/zinc/38/95/79/154389579.db2.gz MBDIUJIFUNQTKH-HIFRSBDPSA-N 1 0 280.368 2.900 20 5 CFBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355060823 154901946 /nfs/dbraw/zinc/90/19/46/154901946.db2.gz OCVJMKIBRZTYQL-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO COCCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000355486620 155020604 /nfs/dbraw/zinc/02/06/04/155020604.db2.gz OSHDAIHULXTSHE-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000355731500 155069356 /nfs/dbraw/zinc/06/93/56/155069356.db2.gz OHOKNVXXDWWISE-NSHDSACASA-N 1 0 286.397 2.933 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1 ZINC000358217695 155675604 /nfs/dbraw/zinc/67/56/04/155675604.db2.gz CUSAGABPSRTVNB-NEPJUHHUSA-N 1 0 296.392 2.844 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000359080361 155978974 /nfs/dbraw/zinc/97/89/74/155978974.db2.gz FJQQTQXOLWWSFH-LLVKDONJSA-N 1 0 292.383 2.750 20 5 CFBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362955268 156124878 /nfs/dbraw/zinc/12/48/78/156124878.db2.gz PVEHFEHGDNSJSM-GFCCVEGCSA-N 1 0 280.372 2.873 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000363907733 156204665 /nfs/dbraw/zinc/20/46/65/156204665.db2.gz OSYABUSWPGQLIN-UHFFFAOYSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H]1COCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366798691 156240591 /nfs/dbraw/zinc/24/05/91/156240591.db2.gz YMXALKDXLXDFLO-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000367098275 156282262 /nfs/dbraw/zinc/28/22/62/156282262.db2.gz FMRDGNMCVHZSKK-CQSZACIVSA-N 1 0 276.336 2.644 20 5 CFBDRO C[C@H]1COCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374349778 157103601 /nfs/dbraw/zinc/10/36/01/157103601.db2.gz ILIDQSVHBLXXCX-SNVBAGLBSA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374400083 157108839 /nfs/dbraw/zinc/10/88/39/157108839.db2.gz OPKHIXLLMFLMIG-VXGBXAGGSA-N 1 0 294.326 2.592 20 5 CFBDRO C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000374641108 157142941 /nfs/dbraw/zinc/14/29/41/157142941.db2.gz FTHIYISJLHZYQJ-CHWSQXEVSA-N 1 0 282.365 2.704 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CC2)C1 ZINC000408173879 157383719 /nfs/dbraw/zinc/38/37/19/157383719.db2.gz DXKAVLIUGOKDRJ-LBPRGKRZSA-N 1 0 276.336 2.768 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340311837 161595669 /nfs/dbraw/zinc/59/56/69/161595669.db2.gz HFSORQRFDNUAEK-LLVKDONJSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000344370935 162027999 /nfs/dbraw/zinc/02/79/99/162027999.db2.gz OLZQNSUQZGQBDV-DRDHIDPGSA-N 1 0 276.336 2.624 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344410922 162038573 /nfs/dbraw/zinc/03/85/73/162038573.db2.gz PMEWTKNDOHNSOI-DDJMYBDESA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344416670 162039512 /nfs/dbraw/zinc/03/95/12/162039512.db2.gz JLYZVSGCSYSCLB-TXEJJXNPSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344430346 162041713 /nfs/dbraw/zinc/04/17/13/162041713.db2.gz JROLOXXITBNZMC-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344583578 162071341 /nfs/dbraw/zinc/07/13/41/162071341.db2.gz UWGWMWKFTYQGIA-BXUZGUMPSA-N 1 0 280.368 2.790 20 5 CFBDRO COCCC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000344701363 162101749 /nfs/dbraw/zinc/10/17/49/162101749.db2.gz QFVDGVLCGCGYRV-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)CC1 ZINC000344703225 162102428 /nfs/dbraw/zinc/10/24/28/162102428.db2.gz VDOYKTINMOIXBW-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO CO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000344716926 162105104 /nfs/dbraw/zinc/10/51/04/162105104.db2.gz QNMRGHNPEHKFNU-DDJMYBDESA-N 1 0 278.352 2.869 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H](C)O ZINC000344796993 162124405 /nfs/dbraw/zinc/12/44/05/162124405.db2.gz PBPBAHZZSDYSJH-PGJRDNSLSA-N 1 0 278.352 2.747 20 5 CFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c[nH]nc1C ZINC000344840914 162132710 /nfs/dbraw/zinc/13/27/10/162132710.db2.gz GECDMFNBYRXQJZ-IZZDOVSWSA-N 1 0 286.335 2.819 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CCO ZINC000344882742 162140836 /nfs/dbraw/zinc/14/08/36/162140836.db2.gz XUYHZWCDSWLWCS-OEMOTLHWSA-N 1 0 278.352 2.606 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C=C[C@@H](CO)C1 ZINC000345042061 162167661 /nfs/dbraw/zinc/16/76/61/162167661.db2.gz XPTDUGWZJHIMLU-UZSWLCPZSA-N 1 0 288.347 2.525 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000347183452 162620343 /nfs/dbraw/zinc/62/03/43/162620343.db2.gz XDDXQAQRHJUSHT-ZDUSSCGKSA-N 1 0 295.770 2.575 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000350099046 163058923 /nfs/dbraw/zinc/05/89/23/163058923.db2.gz MMNGFUTZIRRUIZ-KBPBESRZSA-N 1 0 278.352 2.806 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccco2)n1 ZINC000351519756 163140032 /nfs/dbraw/zinc/14/00/32/163140032.db2.gz VJNKBQJOISKMOV-CHWSQXEVSA-N 1 0 290.323 2.658 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cnc(C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000351757137 163188696 /nfs/dbraw/zinc/18/86/96/163188696.db2.gz MZSOFBAJWNNWSF-OAHLLOKOSA-N 1 0 286.335 2.934 20 5 CFBDRO COc1cc(C[N@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000352776316 163232859 /nfs/dbraw/zinc/23/28/59/163232859.db2.gz BSMSYHXHCQUFOH-NSHDSACASA-N 1 0 282.365 2.541 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000353131320 163313852 /nfs/dbraw/zinc/31/38/52/163313852.db2.gz YSAGDEHDNNXASC-GFCCVEGCSA-N 1 0 283.397 2.620 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000408244537 287152495 /nfs/dbraw/zinc/15/24/95/287152495.db2.gz CLEHZOZDRUZFIS-WFASDCNBSA-N 1 0 276.336 2.768 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000284183575 195997838 /nfs/dbraw/zinc/99/78/38/195997838.db2.gz APHWNMLOBYULMQ-ZDUSSCGKSA-N 1 0 292.379 2.811 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000020127927 171014114 /nfs/dbraw/zinc/01/41/14/171014114.db2.gz WDRVRBLBUFATAT-LLVKDONJSA-N 1 0 257.293 2.841 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000020370283 171167599 /nfs/dbraw/zinc/16/75/99/171167599.db2.gz ONYCGPCVBTVYCJ-GFCCVEGCSA-N 1 0 280.372 2.912 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000021061333 171297117 /nfs/dbraw/zinc/29/71/17/171297117.db2.gz WCXZDGOBADQNCS-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO CCC(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021509652 171309875 /nfs/dbraw/zinc/30/98/75/171309875.db2.gz VFNARRFOAGKMCP-UHFFFAOYSA-N 1 0 252.314 2.882 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284932222 196160318 /nfs/dbraw/zinc/16/03/18/196160318.db2.gz WGGACUIERALFNF-CVEARBPZSA-N 1 0 290.363 2.781 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285020943 196179566 /nfs/dbraw/zinc/17/95/66/196179566.db2.gz HKVVDJTXTJYSPZ-DTWKUNHWSA-N 1 0 269.370 2.579 20 5 CFBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306477 196246292 /nfs/dbraw/zinc/24/62/92/196246292.db2.gz SHLXHHZPOOVQTD-NSHDSACASA-N 1 0 295.383 2.769 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000285382076 196267054 /nfs/dbraw/zinc/26/70/54/196267054.db2.gz CXGBYVVDFNKRAM-UHFFFAOYSA-N 1 0 294.351 2.582 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000285408674 196275786 /nfs/dbraw/zinc/27/57/86/196275786.db2.gz FTGTVSDHPXPJGF-HNNXBMFYSA-N 1 0 278.352 2.952 20 5 CFBDRO Cc1ccc(C[NH2+]C2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000285535344 196319051 /nfs/dbraw/zinc/31/90/51/196319051.db2.gz PMERGIGKUQJWCT-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000285566472 196329819 /nfs/dbraw/zinc/32/98/19/196329819.db2.gz SCBALDYRWUKMOG-UHFFFAOYSA-N 1 0 294.351 2.582 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176983 173010316 /nfs/dbraw/zinc/01/03/16/173010316.db2.gz FBXHDZXBFRSXIO-SWLSCSKDSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000038028738 174017925 /nfs/dbraw/zinc/01/79/25/174017925.db2.gz ODUZZSNGFBRPRV-ZDUSSCGKSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H](CNCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000038028741 174018302 /nfs/dbraw/zinc/01/83/02/174018302.db2.gz VUXWVOWCRVOHFS-CYBMUJFWSA-N 1 0 277.368 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2Cc3ccccc3C2)cc1 ZINC000040675971 174373186 /nfs/dbraw/zinc/37/31/86/174373186.db2.gz FBNPQGHGGIUWMI-UHFFFAOYSA-N 1 0 282.343 2.894 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCC(O)CC1 ZINC000286191168 196521658 /nfs/dbraw/zinc/52/16/58/196521658.db2.gz QUQGCYQUDHRBJX-UHFFFAOYSA-N 1 0 298.770 2.684 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000044498907 175184558 /nfs/dbraw/zinc/18/45/58/175184558.db2.gz HQESCPVUROLEOH-LLVKDONJSA-N 1 0 274.324 2.662 20 5 CFBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000076653022 177044178 /nfs/dbraw/zinc/04/41/78/177044178.db2.gz PMPOAUKRDLCNAH-NSHDSACASA-N 1 0 279.340 2.572 20 5 CFBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000393667765 270308113 /nfs/dbraw/zinc/30/81/13/270308113.db2.gz HCVWPBKNJPTIFM-UHFFFAOYSA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000313061712 260242626 /nfs/dbraw/zinc/24/26/26/260242626.db2.gz OEMVSKBBJGLOKB-MFKMUULPSA-N 1 0 264.325 2.670 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277228056 263040169 /nfs/dbraw/zinc/04/01/69/263040169.db2.gz SLJJYZRRKWSYRT-LBPRGKRZSA-N 1 0 293.367 2.524 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277228054 263040216 /nfs/dbraw/zinc/04/02/16/263040216.db2.gz SLJJYZRRKWSYRT-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000414770770 263042267 /nfs/dbraw/zinc/04/22/67/263042267.db2.gz ONACEXCRYQHUTL-FZMZJTMJSA-N 1 0 277.368 2.640 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224073287 270255743 /nfs/dbraw/zinc/25/57/43/270255743.db2.gz QFYHGKFRTRSXNH-SLEUVZQESA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000093232582 263309703 /nfs/dbraw/zinc/30/97/03/263309703.db2.gz JXPJSAKIQNZSSG-VXGBXAGGSA-N 1 0 263.341 2.798 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NCCC[NH+]1CCCC1 ZINC000520428461 265818210 /nfs/dbraw/zinc/81/82/10/265818210.db2.gz VPVGJBDFTMAQKP-OAHLLOKOSA-N 1 0 289.379 2.658 20 5 CFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000827720306 782041373 /nfs/dbraw/zinc/04/13/73/782041373.db2.gz CAGPNZQLSVCNQP-GXTWGEPZSA-N 1 0 289.335 2.550 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCC1CCCC1 ZINC000313252264 270290471 /nfs/dbraw/zinc/29/04/71/270290471.db2.gz NOEHRRFZGCZFIF-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316198914 270294006 /nfs/dbraw/zinc/29/40/06/270294006.db2.gz PFPZXKNOLQMXSI-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000322796438 270296793 /nfs/dbraw/zinc/29/67/93/270296793.db2.gz OXSNPYCMILJKQX-SMDDNHRTSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000395961581 270314247 /nfs/dbraw/zinc/31/42/47/270314247.db2.gz TWOJQXNDRNEVKE-GFCCVEGCSA-N 1 0 278.352 2.716 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1 ZINC000397921949 270320291 /nfs/dbraw/zinc/32/02/91/270320291.db2.gz IAYMXBBZWVNITK-VXNVDRBHSA-N 1 0 258.368 2.640 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000515285366 270365945 /nfs/dbraw/zinc/36/59/45/270365945.db2.gz DPSJPPXXDDTVMO-UHFFFAOYSA-N 1 0 296.396 2.506 20 5 CFBDRO CSCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515500564 270372069 /nfs/dbraw/zinc/37/20/69/270372069.db2.gz SUSKEBRPASNIOU-GFCCVEGCSA-N 1 0 266.366 2.925 20 5 CFBDRO CCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)COC1 ZINC000453352968 273602710 /nfs/dbraw/zinc/60/27/10/273602710.db2.gz HBIPSGDQBFJJJA-OAHLLOKOSA-N 1 0 290.363 2.988 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153578860 273642143 /nfs/dbraw/zinc/64/21/43/273642143.db2.gz DTUDKWVLKFTACE-SECBINFHSA-N 1 0 286.763 2.785 20 5 CFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000076940642 274024828 /nfs/dbraw/zinc/02/48/28/274024828.db2.gz PVXFHMPDWRMXPM-UHFFFAOYSA-N 1 0 280.368 2.742 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000282431430 274080578 /nfs/dbraw/zinc/08/05/78/274080578.db2.gz RJIUGQDTUSVCOT-FZMZJTMJSA-N 1 0 278.352 2.903 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000286415309 274438865 /nfs/dbraw/zinc/43/88/65/274438865.db2.gz MOAZYGUBXWAMAP-BXUZGUMPSA-N 1 0 293.342 2.797 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)c1ccccc1 ZINC000423248631 274498745 /nfs/dbraw/zinc/49/87/45/274498745.db2.gz NRESEOLQNZREMJ-CJNGLKHVSA-N 1 0 299.374 2.815 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(C)C)CC1 ZINC000301358227 274723614 /nfs/dbraw/zinc/72/36/14/274723614.db2.gz MWDYQLHHSOISHP-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000343784401 274762921 /nfs/dbraw/zinc/76/29/21/274762921.db2.gz DOFYHTBKPJBHPP-ZIAGYGMSSA-N 1 0 289.379 2.966 20 5 CFBDRO Cc1nc(NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301633681 274844337 /nfs/dbraw/zinc/84/43/37/274844337.db2.gz KCUNSDVJBWOXBP-GFCCVEGCSA-N 1 0 280.372 2.686 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000300409333 275033718 /nfs/dbraw/zinc/03/37/18/275033718.db2.gz XAZZAVIHOIAKSK-ZJUUUORDSA-N 1 0 297.305 2.912 20 5 CFBDRO CC(C)[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279048054 275706670 /nfs/dbraw/zinc/70/66/70/275706670.db2.gz JXWZHBFJOPFESV-HUUCEWRRSA-N 1 0 292.379 2.924 20 5 CFBDRO CC(C)c1ccc(CN2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347031550 276052874 /nfs/dbraw/zinc/05/28/74/276052874.db2.gz ADNSOJIZHKQOTA-ZDUSSCGKSA-N 1 0 277.368 2.641 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414966284 276053645 /nfs/dbraw/zinc/05/36/45/276053645.db2.gz WCWIJKXBXBZFGR-WFASDCNBSA-N 1 0 291.395 2.806 20 5 CFBDRO CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447574408 276168562 /nfs/dbraw/zinc/16/85/62/276168562.db2.gz MZUROCHQNFTHJI-NWDGAFQWSA-N 1 0 278.356 2.665 20 5 CFBDRO CCCC[C@H](C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000343687168 276242029 /nfs/dbraw/zinc/24/20/29/276242029.db2.gz ZUEGRPNSEITICZ-NWDGAFQWSA-N 1 0 268.361 2.596 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177333 276573834 /nfs/dbraw/zinc/57/38/34/276573834.db2.gz SECSDFHQESQGLE-GZBFAFLISA-N 1 0 294.395 2.913 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000286316193 277069658 /nfs/dbraw/zinc/06/96/58/277069658.db2.gz UJMPNCBNNMFHSL-DGCLKSJQSA-N 1 0 293.342 2.654 20 5 CFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268340153 277144926 /nfs/dbraw/zinc/14/49/26/277144926.db2.gz KXVNYOAEXWTQBC-IAQYHMDHSA-N 1 0 292.335 2.541 20 5 CFBDRO C[NH2+]C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000420306093 277263257 /nfs/dbraw/zinc/26/32/57/277263257.db2.gz ZUJWSVREPBGTEX-LBPRGKRZSA-N 1 0 277.368 2.648 20 5 CFBDRO C[NH2+]C[C@H](C)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414840253 277282540 /nfs/dbraw/zinc/28/25/40/277282540.db2.gz MVYDFFABPSKACY-LBPRGKRZSA-N 1 0 279.384 2.663 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358178204 277625063 /nfs/dbraw/zinc/62/50/63/277625063.db2.gz PZXVQUDKKIHVJK-OLZOCXBDSA-N 1 0 280.368 2.931 20 5 CFBDRO CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000130822979 278035251 /nfs/dbraw/zinc/03/52/51/278035251.db2.gz UMVQFCZVGVKPHV-LLVKDONJSA-N 1 0 266.341 2.531 20 5 CFBDRO C[C@@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278971940 278234900 /nfs/dbraw/zinc/23/49/00/278234900.db2.gz CFUCBVCXALWYKV-HZMBPMFUSA-N 1 0 278.352 2.678 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCC1(C)C ZINC000449625490 278298925 /nfs/dbraw/zinc/29/89/25/278298925.db2.gz SMPHKIYFGLRUII-FZMZJTMJSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291692255 278313506 /nfs/dbraw/zinc/31/35/06/278313506.db2.gz HNOWDZLDWDXJPC-CHWSQXEVSA-N 1 0 286.335 2.799 20 5 CFBDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000087017725 278340888 /nfs/dbraw/zinc/34/08/88/278340888.db2.gz YENKOHFXTDYJBQ-GFCCVEGCSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000290206089 278379961 /nfs/dbraw/zinc/37/99/61/278379961.db2.gz PNNKPOXCHXQUDF-IAQYHMDHSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000450599055 278982839 /nfs/dbraw/zinc/98/28/39/278982839.db2.gz YPSLQXZZHAYDKO-ZDUSSCGKSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC[C@H]1C ZINC000449322429 279382532 /nfs/dbraw/zinc/38/25/32/279382532.db2.gz PFVMOHYVPQMWEZ-NQBHXWOUSA-N 1 0 280.393 2.867 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1CCO ZINC000449262260 279382765 /nfs/dbraw/zinc/38/27/65/279382765.db2.gz HAGOXUPBNMZBNM-NFAWXSAZSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286190200 279952457 /nfs/dbraw/zinc/95/24/57/279952457.db2.gz BAJLDMNBRGJDFS-WCQYABFASA-N 1 0 293.342 2.797 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000126513328 280653681 /nfs/dbraw/zinc/65/36/81/280653681.db2.gz UITFTVAQUCMSJJ-ZDUSSCGKSA-N 1 0 266.366 2.970 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186490012 280847646 /nfs/dbraw/zinc/84/76/46/280847646.db2.gz WSRNHNJMMZJXDH-NAGRZINJSA-N 1 0 264.325 2.573 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190914744 280892773 /nfs/dbraw/zinc/89/27/73/280892773.db2.gz IDPYHOIMBGIPGE-IOKDEZFASA-N 1 0 276.336 2.765 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)c1 ZINC000446905256 281009717 /nfs/dbraw/zinc/00/97/17/281009717.db2.gz RKVICCODJSLJTQ-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000268881281 281013512 /nfs/dbraw/zinc/01/35/12/281013512.db2.gz WLGATTUVSRLZAM-ZIAGYGMSSA-N 1 0 289.379 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279776746 281022838 /nfs/dbraw/zinc/02/28/38/281022838.db2.gz NKRYUNBABXBJIN-FZMZJTMJSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000252118705 281075466 /nfs/dbraw/zinc/07/54/66/281075466.db2.gz KNUFDNFSWPGNGK-PTEHBNRSSA-N 1 0 264.325 2.640 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305672120 281154373 /nfs/dbraw/zinc/15/43/73/281154373.db2.gz XMNZKKZYUMIGMW-MBNYWOFBSA-N 1 0 278.352 2.749 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)COC1 ZINC000393957475 281193722 /nfs/dbraw/zinc/19/37/22/281193722.db2.gz IRVXIRBHROKXHY-LLVKDONJSA-N 1 0 264.325 2.672 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000396658048 281196837 /nfs/dbraw/zinc/19/68/37/281196837.db2.gz NPEDOJSHCOGOMG-SNVBAGLBSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2COC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000396796094 281198306 /nfs/dbraw/zinc/19/83/06/281198306.db2.gz FFFDNQNWFPSSMI-LBPRGKRZSA-N 1 0 264.325 2.560 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449344594 281242295 /nfs/dbraw/zinc/24/22/95/281242295.db2.gz RUKAMAJBQGHTJQ-ABAIWWIYSA-N 1 0 278.352 2.540 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871792 281288426 /nfs/dbraw/zinc/28/84/26/281288426.db2.gz DHLSLPDQNMRTLH-DOMZBBRYSA-N 1 0 291.395 2.902 20 5 CFBDRO CN(CCC[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000530489765 281426068 /nfs/dbraw/zinc/42/60/68/281426068.db2.gz LSFQRRJZMFWBID-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO Cc1c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000539055881 281565432 /nfs/dbraw/zinc/56/54/32/281565432.db2.gz MSESWUROBUBJJP-LLVKDONJSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)O ZINC000542157920 281620276 /nfs/dbraw/zinc/62/02/76/281620276.db2.gz JSFATWXAIGOTQU-TUAOUCFPSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000554523279 281895635 /nfs/dbraw/zinc/89/56/35/281895635.db2.gz XTMOPEWHVBMQME-GWCFXTLKSA-N 1 0 291.351 2.700 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2OCC)cc1[N+](=O)[O-] ZINC000556078747 281925775 /nfs/dbraw/zinc/92/57/75/281925775.db2.gz ZJIGFISVPTZTNO-NVBFEUDRSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000558167024 281977733 /nfs/dbraw/zinc/97/77/33/281977733.db2.gz WMHQOCDUOMISBG-VXGBXAGGSA-N 1 0 264.325 2.733 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000558251521 281977920 /nfs/dbraw/zinc/97/79/20/281977920.db2.gz ZVTMOOQOJOSINN-CABCVRRESA-N 1 0 276.336 2.752 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447516781 290044831 /nfs/dbraw/zinc/04/48/31/290044831.db2.gz HWSHESZZXNRLIC-WCFLWFBJSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000277697070 290055086 /nfs/dbraw/zinc/05/50/86/290055086.db2.gz HWNLDXFPUMIJMN-MJVIPROJSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000563153313 290109777 /nfs/dbraw/zinc/10/97/77/290109777.db2.gz RDESFFVHYMBFOU-CHWSQXEVSA-N 1 0 277.368 2.635 20 5 CFBDRO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000563365116 290139354 /nfs/dbraw/zinc/13/93/54/290139354.db2.gz BSAQRTIWJJLJRY-UHFFFAOYSA-N 1 0 293.367 2.678 20 5 CFBDRO CSC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417192 290146554 /nfs/dbraw/zinc/14/65/54/290146554.db2.gz JRRMVGNDHJWNTN-BXKDBHETSA-N 1 0 266.366 2.923 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417763 290147222 /nfs/dbraw/zinc/14/72/22/290147222.db2.gz LLKIBNPXJYLSIE-ZFWWWQNUSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417998 290147237 /nfs/dbraw/zinc/14/72/37/290147237.db2.gz NVNWVSJGCKNFBR-WQAKAFBOSA-N 1 0 278.377 2.923 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820081 290176946 /nfs/dbraw/zinc/17/69/46/290176946.db2.gz BZYQLDPQYJRCHQ-RISCZKNCSA-N 1 0 278.352 2.844 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000563955366 290186385 /nfs/dbraw/zinc/18/63/85/290186385.db2.gz GSLWFLVZEHUNHA-UHFFFAOYSA-N 1 0 279.340 2.654 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000364300891 290233585 /nfs/dbraw/zinc/23/35/85/290233585.db2.gz HCDQRWFVSWHULY-IINYFYTJSA-N 1 0 295.770 2.779 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cn[nH]c1 ZINC000566474624 290391559 /nfs/dbraw/zinc/39/15/59/290391559.db2.gz GWPPYXGOFYMMSZ-NOZJJQNGSA-N 1 0 272.308 2.656 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000086682657 292844029 /nfs/dbraw/zinc/84/40/29/292844029.db2.gz WSINBKBAYPQFPL-DGCLKSJQSA-N 1 0 266.341 2.916 20 5 CFBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000349193900 297078997 /nfs/dbraw/zinc/07/89/97/297078997.db2.gz WXDQIGVGCNMSSZ-ZJUUUORDSA-N 1 0 283.759 2.777 20 5 CFBDRO Cc1cccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302484875 301997811 /nfs/dbraw/zinc/99/78/11/301997811.db2.gz HVNLCQKIYVFOAP-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000166261628 322386246 /nfs/dbraw/zinc/38/62/46/322386246.db2.gz ZQFFMRFGHYXOFA-MLGOLLRUSA-N 1 0 291.395 2.894 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCCO ZINC000168273679 322389161 /nfs/dbraw/zinc/38/91/61/322389161.db2.gz ZLZOTIPRHWBONV-VXGBXAGGSA-N 1 0 266.341 2.715 20 5 CFBDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccccc1[N+](=O)[O-] ZINC000569847397 322500516 /nfs/dbraw/zinc/50/05/16/322500516.db2.gz TUZAFIGTUZRJFH-KRWDZBQOSA-N 1 0 297.358 2.653 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2ccccc2[N+](=O)[O-])CC1 ZINC000570154655 322516211 /nfs/dbraw/zinc/51/62/11/322516211.db2.gz FIQCUCOTECRCGW-HAQNSBGRSA-N 1 0 264.325 2.739 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000570580901 322540463 /nfs/dbraw/zinc/54/04/63/322540463.db2.gz HREDMBNLWJDFOD-JMSVASOKSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(C)C ZINC000570943049 322561284 /nfs/dbraw/zinc/56/12/84/322561284.db2.gz XQUILTPFFHMLPF-OFQRWUPVSA-N 1 0 292.379 2.967 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC(F)(F)C1 ZINC000571655764 322591583 /nfs/dbraw/zinc/59/15/83/322591583.db2.gz RGDSFHWLCBCOHC-LLVKDONJSA-N 1 0 268.263 2.969 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000574927178 322711907 /nfs/dbraw/zinc/71/19/07/322711907.db2.gz ZKALUZOZAOXXLU-SKDRFNHKSA-N 1 0 264.350 2.677 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388200488 324500261 /nfs/dbraw/zinc/50/02/61/324500261.db2.gz AIHPPXVZSIRHIU-NHYWBVRUSA-N 1 0 278.352 2.806 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000576039963 324569803 /nfs/dbraw/zinc/56/98/03/324569803.db2.gz UUMBXZLZYDVNKV-ZMLRMANQSA-N 1 0 264.325 2.731 20 5 CFBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000577218471 324711386 /nfs/dbraw/zinc/71/13/86/324711386.db2.gz BDQACTLKGLMLAF-UHFFFAOYSA-N 1 0 278.230 2.602 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577608385 324757793 /nfs/dbraw/zinc/75/77/93/324757793.db2.gz FZNYUKZSWHBAGU-KGLIPLIRSA-N 1 0 289.379 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCCC[NH2+]C1)CCC2 ZINC000578185433 324824379 /nfs/dbraw/zinc/82/43/79/324824379.db2.gz CVHZWSQWURJGLF-XJKSGUPXSA-N 1 0 289.379 2.704 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578378820 324846677 /nfs/dbraw/zinc/84/66/77/324846677.db2.gz PWOVNOHSUDZMHW-UMVBOHGHSA-N 1 0 276.336 2.739 20 5 CFBDRO C[C@@H]([NH2+]Cc1ncccc1O)c1cccc([N+](=O)[O-])c1 ZINC000579221008 324931702 /nfs/dbraw/zinc/93/17/02/324931702.db2.gz VZVDUDBHXIEJOE-SNVBAGLBSA-N 1 0 273.292 2.546 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580095200 325007699 /nfs/dbraw/zinc/00/76/99/325007699.db2.gz LQNIEOJQDHCKCS-JSGCOSHPSA-N 1 0 276.336 2.597 20 5 CFBDRO COCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580449449 325038052 /nfs/dbraw/zinc/03/80/52/325038052.db2.gz QHTRAIXIZRWXDO-GXFFZTMASA-N 1 0 264.325 2.597 20 5 CFBDRO CCOC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581260032 325106140 /nfs/dbraw/zinc/10/61/40/325106140.db2.gz DKUPCBWRJVRSFC-CYBMUJFWSA-N 1 0 278.352 2.987 20 5 CFBDRO O=[N+]([O-])c1cc(F)cc(OCCC2CC[NH2+]CC2)c1 ZINC000581602705 325135538 /nfs/dbraw/zinc/13/55/38/325135538.db2.gz LLHURHZIOGFECV-UHFFFAOYSA-N 1 0 268.288 2.502 20 5 CFBDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000582735763 325230577 /nfs/dbraw/zinc/23/05/77/325230577.db2.gz NNVICQPJCWUOPI-HOCLYGCPSA-N 1 0 289.379 2.512 20 5 CFBDRO C[C@@H](CCCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583391458 325284076 /nfs/dbraw/zinc/28/40/76/325284076.db2.gz VWPKURWIOLJEIZ-FZMZJTMJSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@H](CC[NH+](C)C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000583437262 325287627 /nfs/dbraw/zinc/28/76/27/325287627.db2.gz CGRLWSKPFRRRAJ-LLVKDONJSA-N 1 0 292.383 2.621 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000221678205 519619355 /nfs/dbraw/zinc/61/93/55/519619355.db2.gz YCIDFQLJDLZWEA-UHFFFAOYSA-N 1 0 269.320 2.876 20 5 CFBDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928739 533833891 /nfs/dbraw/zinc/83/38/91/533833891.db2.gz ZCTRYHXVMZMNKV-LBPRGKRZSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000413301115 534098191 /nfs/dbraw/zinc/09/81/91/534098191.db2.gz KLBACLLAHWFCGY-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000339388750 519228727 /nfs/dbraw/zinc/22/87/27/519228727.db2.gz JJAURGZBKUVENE-SNVBAGLBSA-N 1 0 276.296 2.691 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1ccccc1[N+](=O)[O-] ZINC000221678839 519619706 /nfs/dbraw/zinc/61/97/06/519619706.db2.gz KCAQZDQGQQSSBV-UHFFFAOYSA-N 1 0 251.330 2.737 20 5 CFBDRO CC(C)CCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364838007 519638249 /nfs/dbraw/zinc/63/82/49/519638249.db2.gz CCGZPESGULJSCU-CYBMUJFWSA-N 1 0 280.372 2.864 20 5 CFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157502018 519651698 /nfs/dbraw/zinc/65/16/98/519651698.db2.gz XKMOXOXKDIZNSV-UHFFFAOYSA-N 1 0 288.351 2.702 20 5 CFBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359544 519805059 /nfs/dbraw/zinc/80/50/59/519805059.db2.gz QPVSAQQXYSAJGB-HOCLYGCPSA-N 1 0 292.379 2.931 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000328272340 520609884 /nfs/dbraw/zinc/60/98/84/520609884.db2.gz WIVCIFBSEGCNBK-GFCCVEGCSA-N 1 0 284.743 2.905 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148510213 520735150 /nfs/dbraw/zinc/73/51/50/520735150.db2.gz QSDRULQWVHDFKK-VIFPVBQESA-N 1 0 286.763 2.785 20 5 CFBDRO CC[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000311686288 521084580 /nfs/dbraw/zinc/08/45/80/521084580.db2.gz NWVMYSHLJKPDRH-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000192827966 521296396 /nfs/dbraw/zinc/29/63/96/521296396.db2.gz XGAOPYDCWLCMAW-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000361589672 521354628 /nfs/dbraw/zinc/35/46/28/521354628.db2.gz QPWKSHOWCXTOGS-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171678906 521669212 /nfs/dbraw/zinc/66/92/12/521669212.db2.gz ZMRMLJBGYPXHRR-UHFFFAOYSA-N 1 0 264.325 2.848 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000339253310 522681227 /nfs/dbraw/zinc/68/12/27/522681227.db2.gz KLSXEQLPHIEJBE-UHFFFAOYSA-N 1 0 293.367 2.901 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363672787 523596743 /nfs/dbraw/zinc/59/67/43/523596743.db2.gz OGGQNSRZPUVTGW-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000361001083 523973572 /nfs/dbraw/zinc/97/35/72/523973572.db2.gz YLDWNNXZNKOFMQ-NSHDSACASA-N 1 0 270.354 2.657 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000227830437 524021252 /nfs/dbraw/zinc/02/12/52/524021252.db2.gz RAMVWKZXWPSBEO-KBPBESRZSA-N 1 0 278.352 2.806 20 5 CFBDRO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000313966699 524511883 /nfs/dbraw/zinc/51/18/83/524511883.db2.gz GSRUUMGZAUDVHR-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO Cn1cc[nH+]c1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414306918 534794576 /nfs/dbraw/zinc/79/45/76/534794576.db2.gz RQUJPDBRTLPJJV-UHFFFAOYSA-N 1 0 298.249 2.542 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000230667309 524578920 /nfs/dbraw/zinc/57/89/20/524578920.db2.gz ZENWUPSMUQIBJO-OCCSQVGLSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000062053120 524578949 /nfs/dbraw/zinc/57/89/49/524578949.db2.gz UIBWCCIZRXZIMF-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1cccc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000218825308 524672804 /nfs/dbraw/zinc/67/28/04/524672804.db2.gz TXWQDOXTEWWUCF-UHFFFAOYSA-N 1 0 265.357 2.903 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000068913199 524756454 /nfs/dbraw/zinc/75/64/54/524756454.db2.gz CGJVKNSJDWQIPN-VIFPVBQESA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361155517 524918696 /nfs/dbraw/zinc/91/86/96/524918696.db2.gz UJNUEFITCQXQMN-JFDUVMPXSA-N 1 0 289.379 2.632 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052098614 525178099 /nfs/dbraw/zinc/17/80/99/525178099.db2.gz UEQANPHNLZVTOG-INIZCTEOSA-N 1 0 286.331 2.592 20 5 CFBDRO Cc1cc(NC[C@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000311764476 525278105 /nfs/dbraw/zinc/27/81/05/525278105.db2.gz GKCJQRSDJATNEH-SNVBAGLBSA-N 1 0 267.304 2.548 20 5 CFBDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160079115 525319675 /nfs/dbraw/zinc/31/96/75/525319675.db2.gz HRBXASZYQRQUBI-LBPRGKRZSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160079238 525422422 /nfs/dbraw/zinc/42/24/22/525422422.db2.gz HRBXASZYQRQUBI-GFCCVEGCSA-N 1 0 278.352 2.798 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000062726286 525463184 /nfs/dbraw/zinc/46/31/84/525463184.db2.gz UTVBOMDWSVFLPR-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553703 525595137 /nfs/dbraw/zinc/59/51/37/525595137.db2.gz MHQWFQVFEKAPSS-NWDGAFQWSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361158037 525653266 /nfs/dbraw/zinc/65/32/66/525653266.db2.gz YVLYHKRQZHFTMU-JFDUVMPXSA-N 1 0 289.379 2.632 20 5 CFBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000305108984 525698911 /nfs/dbraw/zinc/69/89/11/525698911.db2.gz CFXVBWLHELAZEM-AAEUAGOBSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230411567 525728377 /nfs/dbraw/zinc/72/83/77/525728377.db2.gz CZRYFUKXBXVUNC-CHWSQXEVSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092391945 525740953 /nfs/dbraw/zinc/74/09/53/525740953.db2.gz KNECDQQNLMHVEY-YPMHNXCESA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cccc1[N+](=O)[O-] ZINC000166262469 525918624 /nfs/dbraw/zinc/91/86/24/525918624.db2.gz VFSKQLQJCDGFIG-LRDDRELGSA-N 1 0 291.395 2.894 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000361399468 525919009 /nfs/dbraw/zinc/91/90/09/525919009.db2.gz FUUMTCUFGIPLCB-WFASDCNBSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000313075131 525922104 /nfs/dbraw/zinc/92/21/04/525922104.db2.gz WDYZGAGKNSYTPB-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000305115089 525925147 /nfs/dbraw/zinc/92/51/47/525925147.db2.gz HQSCSLCWUYJJIO-WFASDCNBSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000084726465 526061467 /nfs/dbraw/zinc/06/14/67/526061467.db2.gz CINUTHVUFSCLBY-LLVKDONJSA-N 1 0 261.325 2.552 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H](CO)C2)ccc1Cl ZINC000360876204 527329543 /nfs/dbraw/zinc/32/95/43/527329543.db2.gz ZDBAPKYZHZVVKI-LBPRGKRZSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000227378222 527348671 /nfs/dbraw/zinc/34/86/71/527348671.db2.gz YLSGSGQUKNXFTN-HOCLYGCPSA-N 1 0 290.363 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000314789481 527350672 /nfs/dbraw/zinc/35/06/72/527350672.db2.gz MXWRVTABAIZCLA-VXGBXAGGSA-N 1 0 296.342 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000305202561 527350744 /nfs/dbraw/zinc/35/07/44/527350744.db2.gz BHLRDNSWCNCLJW-KRWDZBQOSA-N 1 0 298.342 2.518 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)c(F)c1 ZINC000313329726 527351198 /nfs/dbraw/zinc/35/11/98/527351198.db2.gz LCVJZDUEMIVQKJ-KGLIPLIRSA-N 1 0 282.315 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000143965658 527361564 /nfs/dbraw/zinc/36/15/64/527361564.db2.gz QBXWLOFCWKJVLM-OAHLLOKOSA-N 1 0 275.352 2.659 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000361637860 527400630 /nfs/dbraw/zinc/40/06/30/527400630.db2.gz VUYRBWUPYHKRLK-CYBMUJFWSA-N 1 0 298.346 2.764 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188304 527401003 /nfs/dbraw/zinc/40/10/03/527401003.db2.gz ALEUHBJALHEQNI-HOCLYGCPSA-N 1 0 289.379 2.701 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000365849086 527490106 /nfs/dbraw/zinc/49/01/06/527490106.db2.gz RZWKGWMDAYLXTE-ZDUSSCGKSA-N 1 0 292.383 2.921 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CCO)C(C)C ZINC000468630469 527501784 /nfs/dbraw/zinc/50/17/84/527501784.db2.gz YBOAFOCYURQRJO-OVHOFWQVSA-N 1 0 292.379 2.995 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000414530030 527528814 /nfs/dbraw/zinc/52/88/14/527528814.db2.gz WNGDSXYCBRDPOP-PPJWJQMQSA-N 1 0 290.363 2.701 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000414145182 528103669 /nfs/dbraw/zinc/10/36/69/528103669.db2.gz NUESYFBGVGXLQY-QKCSRTOESA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)C[C@@H]([NH3+])CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414677937 528346157 /nfs/dbraw/zinc/34/61/57/528346157.db2.gz PXDXJBKZFZXOID-CQSZACIVSA-N 1 0 291.395 2.933 20 5 CFBDRO CCC[NH2+]CCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414867832 528510173 /nfs/dbraw/zinc/51/01/73/528510173.db2.gz JKZGYSSWJQSKKZ-ZDUSSCGKSA-N 1 0 279.384 2.505 20 5 CFBDRO CCC[NH2+]CCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423309748 528516064 /nfs/dbraw/zinc/51/60/64/528516064.db2.gz LWVUAMGTVJGDFS-GFCCVEGCSA-N 1 0 295.383 2.644 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000116279092 528939590 /nfs/dbraw/zinc/93/95/90/528939590.db2.gz SQZUJNVUUJKPHW-SNVBAGLBSA-N 1 0 286.759 2.839 20 5 CFBDRO CCC[C@@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311287 529011731 /nfs/dbraw/zinc/01/17/31/529011731.db2.gz BRPWEQVEGZSCBC-LSDHHAIUSA-N 1 0 277.368 2.763 20 5 CFBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414529418 529189666 /nfs/dbraw/zinc/18/96/66/529189666.db2.gz PAQAWTJZZSKBEP-PWSUYJOCSA-N 1 0 272.370 2.541 20 5 CFBDRO CCOCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449091589 535512384 /nfs/dbraw/zinc/51/23/84/535512384.db2.gz QMQDZSHUDCDHRS-ZDUSSCGKSA-N 1 0 280.368 2.932 20 5 CFBDRO CC[NH+](CC)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450208145 535542997 /nfs/dbraw/zinc/54/29/97/535542997.db2.gz KLVPIEAGIVNCOZ-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000452029203 535754153 /nfs/dbraw/zinc/75/41/53/535754153.db2.gz YBNBUKCNUSTGEI-UKRRQHHQSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@H]([NH2+]CCC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000432412132 535803356 /nfs/dbraw/zinc/80/33/56/535803356.db2.gz ANGPNMWTTQYHNI-WDIPEOLASA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269012611 536075855 /nfs/dbraw/zinc/07/58/55/536075855.db2.gz XQTVJEHZYVNRAK-RYUDHWBXSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000754662196 574112129 /nfs/dbraw/zinc/11/21/29/574112129.db2.gz KZMLZRRXAFSSMU-JTQLQIEISA-N 1 0 280.353 2.512 20 5 CFBDRO CC(C)C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000746055755 574132244 /nfs/dbraw/zinc/13/22/44/574132244.db2.gz DJKRUVFPURVNCU-UHFFFAOYSA-N 1 0 266.345 2.649 20 5 CFBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000738052023 574156442 /nfs/dbraw/zinc/15/64/42/574156442.db2.gz DRJREXYAFITVAK-UHFFFAOYSA-N 1 0 274.324 2.776 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732567774 574161211 /nfs/dbraw/zinc/16/12/11/574161211.db2.gz BGAFEBQWMNOQNH-UHFFFAOYSA-N 1 0 277.368 2.905 20 5 CFBDRO Cc1ccc(C(=O)OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000755412871 574254306 /nfs/dbraw/zinc/25/43/06/574254306.db2.gz IQCITUHOEPBAEA-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCC1 ZINC000742172871 574317171 /nfs/dbraw/zinc/31/71/71/574317171.db2.gz INNZKXVRGCCTBC-UHFFFAOYSA-N 1 0 286.335 2.900 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCC3)c(F)c1 ZINC000934395554 618029753 /nfs/dbraw/zinc/02/97/53/618029753.db2.gz KYHULNOKEFEECW-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000891863077 617791116 /nfs/dbraw/zinc/79/11/16/617791116.db2.gz ULOVEZYERZMWBB-GHMZBOCLSA-N 1 0 294.351 2.929 20 5 CFBDRO COc1c(O)ccc(C[NH+]2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000891911690 617819829 /nfs/dbraw/zinc/81/98/29/617819829.db2.gz ZBFLFSFNSFEAPT-UHFFFAOYSA-N 1 0 294.351 2.931 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC[C@H]1C ZINC000932501862 617825024 /nfs/dbraw/zinc/82/50/24/617825024.db2.gz QRQTXRTZLSKSGY-BXUZGUMPSA-N 1 0 294.351 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CCCC2)cc1F ZINC000934010199 617862428 /nfs/dbraw/zinc/86/24/28/617862428.db2.gz WOFPCGBVTSZBCQ-AWEZNQCLSA-N 1 0 296.342 2.765 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000934300918 617992075 /nfs/dbraw/zinc/99/20/75/617992075.db2.gz CMJLQVACXVMYMY-NSHDSACASA-N 1 0 296.392 2.931 20 5 CFBDRO CCOc1cc(C[N@H+]2CC[C@H](OCC)C2)ccc1[N+](=O)[O-] ZINC000932972625 618129935 /nfs/dbraw/zinc/12/99/35/618129935.db2.gz GFKAPNPDXZPFGD-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925595835 618281660 /nfs/dbraw/zinc/28/16/60/618281660.db2.gz SYHUYEFMYIGCEM-MLGOLLRUSA-N 1 0 285.347 2.773 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000158665251 618412264 /nfs/dbraw/zinc/41/22/64/618412264.db2.gz XRCUKNAYHDQCBH-KBPBESRZSA-N 1 0 296.392 2.504 20 5 CFBDRO Cc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000235877479 618456391 /nfs/dbraw/zinc/45/63/91/618456391.db2.gz OUGTZRGRSPDSHK-CYBMUJFWSA-N 1 0 291.351 2.620 20 5 CFBDRO C[C@@H]1CC[N@H+](CCNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893354343 618459311 /nfs/dbraw/zinc/45/93/11/618459311.db2.gz JGMSPNVVPJWZQB-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CCCC[N@H+](C)CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000747220917 618472295 /nfs/dbraw/zinc/47/22/95/618472295.db2.gz SCTOWQRIGCAXBX-UHFFFAOYSA-N 1 0 299.346 2.886 20 5 CFBDRO Cc1ccc(N2CC[C@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895324231 618533749 /nfs/dbraw/zinc/53/37/49/618533749.db2.gz FRMRVQSYVKYTQZ-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO C[NH+](C)CC[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000895331722 618538322 /nfs/dbraw/zinc/53/83/22/618538322.db2.gz WGCFUDXWEHCBKQ-JTQLQIEISA-N 1 0 299.321 2.651 20 5 CFBDRO CC[C@@](C)([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000895396686 618566771 /nfs/dbraw/zinc/56/67/71/618566771.db2.gz SYMOLGHHKPGPLE-OAHLLOKOSA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000840882630 618641548 /nfs/dbraw/zinc/64/15/48/618641548.db2.gz QNGYDPJYWGGCPK-DGFSRKRXSA-N 1 0 295.383 2.623 20 5 CFBDRO Cc1nccn1CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000312105003 618875749 /nfs/dbraw/zinc/87/57/49/618875749.db2.gz JQSSGLGYPYWEOW-UHFFFAOYSA-N 1 0 260.297 2.520 20 5 CFBDRO [NH3+]CCCCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697405 618910983 /nfs/dbraw/zinc/91/09/83/618910983.db2.gz VWYRIPZRRBMBCY-UHFFFAOYSA-N 1 0 290.323 2.706 20 5 CFBDRO CCON1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000925695728 618945438 /nfs/dbraw/zinc/94/54/38/618945438.db2.gz WHXLXDJDISXTHQ-LBPRGKRZSA-N 1 0 293.367 2.661 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261787552 619266782 /nfs/dbraw/zinc/26/67/82/619266782.db2.gz FYHDHFNHOFMQCP-ZYHUDNBSSA-N 1 0 297.786 2.807 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)C[NH3+] ZINC000262006474 619366736 /nfs/dbraw/zinc/36/67/36/619366736.db2.gz URJJEZOEQQWZKI-UHFFFAOYSA-N 1 0 285.775 2.665 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000894860390 619488165 /nfs/dbraw/zinc/48/81/65/619488165.db2.gz CBZUSAFYIRGGPZ-UHFFFAOYSA-N 1 0 294.351 2.929 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262087846 619533569 /nfs/dbraw/zinc/53/35/69/619533569.db2.gz UPAIHTKCTAFNSA-GWCFXTLKSA-N 1 0 297.786 2.950 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@H]1CCCN2CCSC[C@@H]12 ZINC000895565580 619559412 /nfs/dbraw/zinc/55/94/12/619559412.db2.gz ACXHJOHBQFEFBV-ONGXEEELSA-N 1 0 299.421 2.648 20 5 CFBDRO C[C@H]1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895735054 619596590 /nfs/dbraw/zinc/59/65/90/619596590.db2.gz CGIAVAADMWBGPB-CMPLNLGQSA-N 1 0 286.335 2.648 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCC1(OC)OC)c1cccc([N+](=O)[O-])c1 ZINC000925229808 620050780 /nfs/dbraw/zinc/05/07/80/620050780.db2.gz INZBUQSWPHWKNF-ZIAGYGMSSA-N 1 0 294.351 2.787 20 5 CFBDRO COc1cc(C[NH2+]CC(C)(C)C2CC2)c([N+](=O)[O-])cc1O ZINC000897443389 620173088 /nfs/dbraw/zinc/17/30/88/620173088.db2.gz VWUCKRMHCCELQG-UHFFFAOYSA-N 1 0 294.351 2.835 20 5 CFBDRO C[C@H](C[NH2+][C@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897458969 620176281 /nfs/dbraw/zinc/17/62/81/620176281.db2.gz GVDSDATYQVDHRR-CHWSQXEVSA-N 1 0 290.363 3.000 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000897460833 620176820 /nfs/dbraw/zinc/17/68/20/620176820.db2.gz JJEDQGHIAULFJJ-NSHDSACASA-N 1 0 287.319 2.589 20 5 CFBDRO CC[C@H](COC)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465396 620177098 /nfs/dbraw/zinc/17/70/98/620177098.db2.gz VKTXNWJEEYXOFY-VXGBXAGGSA-N 1 0 266.341 2.713 20 5 CFBDRO CCOC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463654 620177195 /nfs/dbraw/zinc/17/71/95/620177195.db2.gz AZTVWXWVITWFIR-NWDGAFQWSA-N 1 0 266.341 2.713 20 5 CFBDRO CCOC1CC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465739 620177211 /nfs/dbraw/zinc/17/72/11/620177211.db2.gz HLWGLVHPLYWFIY-PNESKVBLSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@H](C[NH2+]CC1=CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897468919 620177748 /nfs/dbraw/zinc/17/77/48/620177748.db2.gz BXLXCSGJQXSWER-GFCCVEGCSA-N 1 0 276.336 2.635 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1O ZINC000897953948 620310458 /nfs/dbraw/zinc/31/04/58/620310458.db2.gz VTSAUXJVFKKZEE-ADEWGFFLSA-N 1 0 292.335 2.587 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1[N+](=O)[O-] ZINC000897957829 620311304 /nfs/dbraw/zinc/31/13/04/620311304.db2.gz DPESCLXTPOUQMG-ZMLRMANQSA-N 1 0 292.335 2.587 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000897957695 620311440 /nfs/dbraw/zinc/31/14/40/620311440.db2.gz DPESCLXTPOUQMG-YUSALJHKSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CC1 ZINC000898203945 620344504 /nfs/dbraw/zinc/34/45/04/620344504.db2.gz LMDZLBGXIVSUHM-BLLLJJGKSA-N 1 0 292.379 2.667 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898375283 620377413 /nfs/dbraw/zinc/37/74/13/620377413.db2.gz CPHNXEUBKLLYPL-KKUMJFAQSA-N 1 0 288.347 2.597 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000899871092 620607782 /nfs/dbraw/zinc/60/77/82/620607782.db2.gz NTASOCVNBZOWFT-UHFFFAOYSA-N 1 0 266.316 2.504 20 5 CFBDRO CC[C@H](NC[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902428951 621076072 /nfs/dbraw/zinc/07/60/72/621076072.db2.gz INPCPBHDCUXOGG-QEJZJMRPSA-N 1 0 291.395 2.819 20 5 CFBDRO CC1(C)C[NH2+]C[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902447519 621090067 /nfs/dbraw/zinc/09/00/67/621090067.db2.gz YVFWFXCMEFUFLE-LSDHHAIUSA-N 1 0 289.379 2.560 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C2CCC2)cc([N+](=O)[O-])c1 ZINC000903116610 621260343 /nfs/dbraw/zinc/26/03/43/621260343.db2.gz BRLCWDPCQQGTSY-VIFPVBQESA-N 1 0 250.298 2.807 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903172024 621273950 /nfs/dbraw/zinc/27/39/50/621273950.db2.gz LXJHSKBMRUOLTL-GWCFXTLKSA-N 1 0 282.340 2.679 20 5 CFBDRO C/C=C\C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903205655 621287525 /nfs/dbraw/zinc/28/75/25/621287525.db2.gz DJEVJNGLNAMXTI-LWTINBJPSA-N 1 0 250.298 2.830 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903216676 621290688 /nfs/dbraw/zinc/29/06/88/621290688.db2.gz GHQPPWSHWKZSHR-MJVIPROJSA-N 1 0 294.351 2.679 20 5 CFBDRO COC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000903246207 621297399 /nfs/dbraw/zinc/29/73/99/621297399.db2.gz SFRBRLZJJXPFID-OCCSQVGLSA-N 1 0 280.368 2.959 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903285421 621305822 /nfs/dbraw/zinc/30/58/22/621305822.db2.gz ZVPOJJSUUNBPLI-CFVHAMKPSA-N 1 0 292.310 2.560 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000903286926 621318478 /nfs/dbraw/zinc/31/84/78/621318478.db2.gz JLPHEUNDTGFMFZ-QKCSRTOESA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287315 621318626 /nfs/dbraw/zinc/31/86/26/621318626.db2.gz NSWIAUXZTRSCDL-BZPMIXESSA-N 1 0 277.368 2.728 20 5 CFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000903287502 621319205 /nfs/dbraw/zinc/31/92/05/621319205.db2.gz PPBMHHXMPORYDM-RAIGVLPGSA-N 1 0 292.335 2.587 20 5 CFBDRO CN1CC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903318466 621331317 /nfs/dbraw/zinc/33/13/17/621331317.db2.gz QAWVEAQPKNEURR-IUODEOHRSA-N 1 0 289.379 2.611 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C2CC(CCO)C2)cc1[N+](=O)[O-] ZINC000903328547 621340214 /nfs/dbraw/zinc/34/02/14/621340214.db2.gz LZBGWLFNGWAOCY-DCBWTQNWSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]1COC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903393181 621352589 /nfs/dbraw/zinc/35/25/89/621352589.db2.gz IDUQICUFRVHHNQ-WKPIXPDZSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000903405908 621361434 /nfs/dbraw/zinc/36/14/34/621361434.db2.gz FXQBMQRKYQJHLQ-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903445453 621383758 /nfs/dbraw/zinc/38/37/58/621383758.db2.gz TVVPKFVXXDLGDU-IBDUZEINSA-N 1 0 255.705 2.580 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903867697 621454136 /nfs/dbraw/zinc/45/41/36/621454136.db2.gz SGFQHVCCXBPGDV-AWEZNQCLSA-N 1 0 295.770 2.576 20 5 CFBDRO Cc1ccc(-c2noc([C@@]3(C)CCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000904554184 621604525 /nfs/dbraw/zinc/60/45/25/621604525.db2.gz NLRWWYOLCWTCLW-CQSZACIVSA-N 1 0 288.307 2.552 20 5 CFBDRO Cc1cc2c(cc1-c1cc([N+](=O)[O-])ccc1CO)C[NH2+]CC2 ZINC000904797523 621649525 /nfs/dbraw/zinc/64/95/25/621649525.db2.gz YFLMPCNPRNFABV-UHFFFAOYSA-N 1 0 298.342 2.708 20 5 CFBDRO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000905032217 621683622 /nfs/dbraw/zinc/68/36/22/621683622.db2.gz BBMYXEOMAMNUHE-LBPRGKRZSA-N 1 0 291.351 2.655 20 5 CFBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000905046508 621685729 /nfs/dbraw/zinc/68/57/29/621685729.db2.gz BTJIZKDSHWNQQK-UHFFFAOYSA-N 1 0 286.331 2.632 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000905249580 621727091 /nfs/dbraw/zinc/72/70/91/621727091.db2.gz SSDMTKFEXMARKM-UHFFFAOYSA-N 1 0 272.707 2.534 20 5 CFBDRO Cc1ccc(C2(C[NH2+]CC[N+](=O)[O-])CCC2)cc1C ZINC000905237741 621732175 /nfs/dbraw/zinc/73/21/75/621732175.db2.gz KXWGNCRGVXMGHN-UHFFFAOYSA-N 1 0 262.353 2.591 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000905282487 621737298 /nfs/dbraw/zinc/73/72/98/621737298.db2.gz ZINRBVRICIWAOU-GJZGRUSLSA-N 1 0 262.353 2.827 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000905391908 621765423 /nfs/dbraw/zinc/76/54/23/621765423.db2.gz WRJRNPPDJVRJFV-HNQUOIGGSA-N 1 0 299.168 2.719 20 5 CFBDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905428160 621769527 /nfs/dbraw/zinc/76/95/27/621769527.db2.gz ZBXJIRTWHFDAMV-ZFWWWQNUSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCC=CCC2)cc1 ZINC000905624080 621800349 /nfs/dbraw/zinc/80/03/49/621800349.db2.gz MECNUMVJKCEBKL-MRXNPFEDSA-N 1 0 290.363 2.964 20 5 CFBDRO CN(CC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000058617293 623054520 /nfs/dbraw/zinc/05/45/20/623054520.db2.gz IRQFQWYFBSEPNM-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000062350945 623266165 /nfs/dbraw/zinc/26/61/65/623266165.db2.gz MNKVIUUIWGFDEF-CQSZACIVSA-N 1 0 264.325 2.504 20 5 CFBDRO Cc1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823270113 623280780 /nfs/dbraw/zinc/28/07/80/623280780.db2.gz NDOKUMOWVWFZJZ-GFCCVEGCSA-N 1 0 288.307 2.768 20 5 CFBDRO C[NH2+]C[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063169302 623330528 /nfs/dbraw/zinc/33/05/28/623330528.db2.gz ZAAALDDCFYOPDK-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000231675464 623362760 /nfs/dbraw/zinc/36/27/60/623362760.db2.gz CNBUNUJDSKDXCE-SDDRHHMPSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000231983946 623378826 /nfs/dbraw/zinc/37/88/26/623378826.db2.gz ACBNCEXMMXSOBO-AWEZNQCLSA-N 1 0 292.360 2.522 20 5 CFBDRO CCCCN(Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000914783721 623936944 /nfs/dbraw/zinc/93/69/44/623936944.db2.gz CMJRNQQVPLQDCL-UHFFFAOYSA-N 1 0 266.345 2.630 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1Cl ZINC000827366272 623993545 /nfs/dbraw/zinc/99/35/45/623993545.db2.gz UGOSXSPGGWZLBH-OLZOCXBDSA-N 1 0 296.754 2.641 20 5 CFBDRO C[N@@H+]1CCC[C@H]1CSCc1ccc([N+](=O)[O-])cc1 ZINC000917350640 624334599 /nfs/dbraw/zinc/33/45/99/624334599.db2.gz JIMACPPFAXRICS-ZDUSSCGKSA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000917432301 624343726 /nfs/dbraw/zinc/34/37/26/624343726.db2.gz CDQHHAKPTHGRBR-FRRDWIJNSA-N 1 0 278.356 2.649 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000828967507 624344112 /nfs/dbraw/zinc/34/41/12/624344112.db2.gz QDCXDMNOXVFXNC-SNVBAGLBSA-N 1 0 298.364 2.688 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174856546 624413992 /nfs/dbraw/zinc/41/39/92/624413992.db2.gz IEWSRKUCPWEXOJ-CYBMUJFWSA-N 1 0 297.786 2.774 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000829572227 624456867 /nfs/dbraw/zinc/45/68/67/624456867.db2.gz HLTOUXWCRWTIGU-CQSZACIVSA-N 1 0 263.341 2.514 20 5 CFBDRO C[N@H+](CCC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829937136 624585408 /nfs/dbraw/zinc/58/54/08/624585408.db2.gz HQIJXABMIURZLM-AWEZNQCLSA-N 1 0 280.368 2.996 20 5 CFBDRO CCC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000921045348 624802173 /nfs/dbraw/zinc/80/21/73/624802173.db2.gz BHBRZANAPVOASM-UHFFFAOYSA-N 1 0 266.345 2.649 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCC2)O1 ZINC000830733644 624829834 /nfs/dbraw/zinc/82/98/34/624829834.db2.gz AZGPZJVLOIDRKV-LLVKDONJSA-N 1 0 294.326 2.877 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000831527672 625041870 /nfs/dbraw/zinc/04/18/70/625041870.db2.gz GRRHHZPBEXGWEA-QMTHXVAHSA-N 1 0 282.315 2.591 20 5 CFBDRO Cc1ccncc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834887533 625909837 /nfs/dbraw/zinc/90/98/37/625909837.db2.gz SKFQLHVNZHHFAF-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000922560837 626308746 /nfs/dbraw/zinc/30/87/46/626308746.db2.gz WNXIAQKQPUVEJA-IUODEOHRSA-N 1 0 291.395 2.900 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)O1 ZINC000851735928 634500778 /nfs/dbraw/zinc/50/07/78/634500778.db2.gz LAWOLAXDJRPYPR-AWEZNQCLSA-N 1 0 292.335 2.511 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000922812788 626368994 /nfs/dbraw/zinc/36/89/94/626368994.db2.gz TYOYPWUIQOAMMR-AWEZNQCLSA-N 1 0 264.325 2.644 20 5 CFBDRO COC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000922949160 626431471 /nfs/dbraw/zinc/43/14/71/626431471.db2.gz BSCVBKKXPSQWEH-NSHDSACASA-N 1 0 272.370 2.665 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN(CCC[NH2+]C1CC1)C1CC1 ZINC000923370203 626469139 /nfs/dbraw/zinc/46/91/39/626469139.db2.gz RWAGZTOUVHYMST-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C12CCC2 ZINC000839189338 626530414 /nfs/dbraw/zinc/53/04/14/626530414.db2.gz RFRZQGMTBLHGNT-ZIAGYGMSSA-N 1 0 294.326 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000839681192 626552251 /nfs/dbraw/zinc/55/22/51/626552251.db2.gz QNGRYXHYCGOCIH-GOEBONIOSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000761521017 626842341 /nfs/dbraw/zinc/84/23/41/626842341.db2.gz SNPFRXQIJHFKLM-LLVKDONJSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCO)CCC2)cc1Cl ZINC000761528359 626842925 /nfs/dbraw/zinc/84/29/25/626842925.db2.gz RULQRLHPIDENNW-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000763267942 626974597 /nfs/dbraw/zinc/97/45/97/626974597.db2.gz ONNMCAUOOBOWNJ-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](C4CC4)C3)c2c1 ZINC000763334330 626980665 /nfs/dbraw/zinc/98/06/65/626980665.db2.gz VZAGVYZQQOEPHA-CYBMUJFWSA-N 1 0 286.335 2.634 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000765643669 627152739 /nfs/dbraw/zinc/15/27/39/627152739.db2.gz RDYFRJUDMVWPQO-WDEREUQCSA-N 1 0 281.331 2.653 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000851905183 634582437 /nfs/dbraw/zinc/58/24/37/634582437.db2.gz BBFBPAINBHFFJN-VXGBXAGGSA-N 1 0 294.351 2.787 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@H+](C)C(C)C)c1 ZINC000771066695 627574522 /nfs/dbraw/zinc/57/45/22/627574522.db2.gz CPYHNIIEQZCORH-UHFFFAOYSA-N 1 0 299.346 2.885 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000771458303 627605973 /nfs/dbraw/zinc/60/59/73/627605973.db2.gz GIFFXRAZRFHUGW-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000775386056 628017919 /nfs/dbraw/zinc/01/79/19/628017919.db2.gz CNABBVVSZNEMPQ-OAHLLOKOSA-N 1 0 288.351 2.706 20 5 CFBDRO CC1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581664 628160408 /nfs/dbraw/zinc/16/04/08/628160408.db2.gz GPIIVKTZPOAECQ-CQSZACIVSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589173 628162013 /nfs/dbraw/zinc/16/20/13/628162013.db2.gz PVSFPUWAZUYZHE-JMSVASOKSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599226 628163758 /nfs/dbraw/zinc/16/37/58/628163758.db2.gz XODGVYFLMKFKGC-KYOSRNDESA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776598572 628163889 /nfs/dbraw/zinc/16/38/89/628163889.db2.gz RNJVUYKIGQOCLL-TYNCELHUSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957824 628267005 /nfs/dbraw/zinc/26/70/05/628267005.db2.gz WYVRWHCICDTILS-GFCCVEGCSA-N 1 0 286.335 2.758 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000780569050 628478472 /nfs/dbraw/zinc/47/84/72/628478472.db2.gz ZDEAFUWCAFDJHV-AWEZNQCLSA-N 1 0 262.309 2.686 20 5 CFBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597143 628724958 /nfs/dbraw/zinc/72/49/58/628724958.db2.gz REZOYVPXEJRISL-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000783638687 628729962 /nfs/dbraw/zinc/72/99/62/628729962.db2.gz ISTKIZFIEPMPPB-ONGXEEELSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350122 628808133 /nfs/dbraw/zinc/80/81/33/628808133.db2.gz YETSUWSORWQWJJ-SWLSCSKDSA-N 1 0 292.379 2.996 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000784390502 628813673 /nfs/dbraw/zinc/81/36/73/628813673.db2.gz HLWXSAZNIAEKKM-XJKSGUPXSA-N 1 0 290.363 2.916 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514527 628823079 /nfs/dbraw/zinc/82/30/79/628823079.db2.gz XKFPOPXXXVQOIX-ZFWWWQNUSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788703359 629093799 /nfs/dbraw/zinc/09/37/99/629093799.db2.gz KSQYJPFGQBBLDZ-SNVBAGLBSA-N 1 0 281.356 2.643 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-] ZINC000788777174 629099093 /nfs/dbraw/zinc/09/90/93/629099093.db2.gz NULWGMJBDDRPKH-NSHDSACASA-N 1 0 287.319 2.855 20 5 CFBDRO O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000790367887 629235468 /nfs/dbraw/zinc/23/54/68/629235468.db2.gz CTLFVDFOAJBHGJ-UHFFFAOYSA-N 1 0 297.270 2.600 20 5 CFBDRO O=[N+]([O-])CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000791052818 629284072 /nfs/dbraw/zinc/28/40/72/629284072.db2.gz DXMXIOWYSURMLU-UHFFFAOYSA-N 1 0 262.353 2.608 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791566675 629333114 /nfs/dbraw/zinc/33/31/14/629333114.db2.gz COMBVLWUJSPKHG-AOOOYVTPSA-N 1 0 295.314 2.545 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000798404492 630187526 /nfs/dbraw/zinc/18/75/26/630187526.db2.gz PQXBMCUIAIBUCO-UHFFFAOYSA-N 1 0 263.341 2.517 20 5 CFBDRO CSCCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000799159878 630280640 /nfs/dbraw/zinc/28/06/40/630280640.db2.gz NGSNSXBVQGPEKB-UHFFFAOYSA-N 1 0 294.380 2.587 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000801517567 630452489 /nfs/dbraw/zinc/45/24/89/630452489.db2.gz HYIZXCOYXAVUGY-ZDUSSCGKSA-N 1 0 295.358 2.508 20 5 CFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545218 630455803 /nfs/dbraw/zinc/45/58/03/630455803.db2.gz KXMYOXXDEYPUJC-JRPNMDOOSA-N 1 0 296.342 2.715 20 5 CFBDRO C[C@H](Nc1ccc(N)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000804503219 630688832 /nfs/dbraw/zinc/68/88/32/630688832.db2.gz HAHKOLHUPRWSCY-JTQLQIEISA-N 1 0 280.372 2.565 20 5 CFBDRO CC[NH+](CC)CCCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807915737 630922054 /nfs/dbraw/zinc/92/20/54/630922054.db2.gz BECIXPNZSBBZRN-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000808447239 630993495 /nfs/dbraw/zinc/99/34/95/630993495.db2.gz YEGXRMJHRRLDEU-MLGOLLRUSA-N 1 0 286.331 2.807 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000809747899 631279633 /nfs/dbraw/zinc/27/96/33/631279633.db2.gz WQAIAPMUDOKANM-INIZCTEOSA-N 1 0 286.331 2.808 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811803756 631623642 /nfs/dbraw/zinc/62/36/42/631623642.db2.gz QZVWTJYCLHPKSJ-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC000811821882 631628385 /nfs/dbraw/zinc/62/83/85/631628385.db2.gz UEZWBYGCQXPMHU-LSDHHAIUSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000842476733 631641427 /nfs/dbraw/zinc/64/14/27/631641427.db2.gz UGRPUBJKRFTULC-BFVZDQMLSA-N 1 0 297.786 2.724 20 5 CFBDRO O=[N+]([O-])c1c(Cl)cccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000842646788 631691034 /nfs/dbraw/zinc/69/10/34/631691034.db2.gz JIEVCOCPTXPAOD-SECBINFHSA-N 1 0 294.698 2.723 20 5 CFBDRO CC(C)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000843105868 631836857 /nfs/dbraw/zinc/83/68/57/631836857.db2.gz YGSGUUILULTNBU-CQSZACIVSA-N 1 0 297.786 2.678 20 5 CFBDRO CC1([NH3+])CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000843108840 631838915 /nfs/dbraw/zinc/83/89/15/631838915.db2.gz VFGWNGVRAUYKOK-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844374572 632184447 /nfs/dbraw/zinc/18/44/47/632184447.db2.gz IAUNQNZOLXNUEC-GWCFXTLKSA-N 1 0 284.331 2.621 20 5 CFBDRO C[C@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844416755 632201563 /nfs/dbraw/zinc/20/15/63/632201563.db2.gz QPKNHITUBYOYGD-LLVKDONJSA-N 1 0 296.342 2.574 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568949 632289964 /nfs/dbraw/zinc/28/99/64/632289964.db2.gz ZXZSFBYUMHFMDM-NXEZZACHSA-N 1 0 263.341 2.874 20 5 CFBDRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581388 632292387 /nfs/dbraw/zinc/29/23/87/632292387.db2.gz FDBVMMKBWCSJTP-VHSXEESVSA-N 1 0 283.397 2.969 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1(C)C ZINC000815587889 632293214 /nfs/dbraw/zinc/29/32/14/632293214.db2.gz WTRHKUWHUKMJAI-CUOATXAZSA-N 1 0 293.367 2.641 20 5 CFBDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815645933 632304658 /nfs/dbraw/zinc/30/46/58/632304658.db2.gz UTVWGSJHPJATTO-RKDXNWHRSA-N 1 0 255.293 2.576 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000105909040 632434583 /nfs/dbraw/zinc/43/45/83/632434583.db2.gz DXZDAYQGIHMECY-MLGOLLRUSA-N 1 0 286.331 2.979 20 5 CFBDRO CN(CC[NH+]1CCCCC1)c1cccc(F)c1[N+](=O)[O-] ZINC000845766645 632557872 /nfs/dbraw/zinc/55/78/72/632557872.db2.gz IJMIYAYYVUMXNA-UHFFFAOYSA-N 1 0 281.331 2.656 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1F ZINC000817292377 632596668 /nfs/dbraw/zinc/59/66/68/632596668.db2.gz SWLYOJDHMBWEER-LBPRGKRZSA-N 1 0 294.326 2.613 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000817369077 632615679 /nfs/dbraw/zinc/61/56/79/632615679.db2.gz QIGSROOWRCGXQU-AWEZNQCLSA-N 1 0 292.383 2.878 20 5 CFBDRO CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906684 632728464 /nfs/dbraw/zinc/72/84/64/632728464.db2.gz BFONCSGERRVPBE-KGLIPLIRSA-N 1 0 297.786 2.868 20 5 CFBDRO CC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846952795 632857095 /nfs/dbraw/zinc/85/70/95/632857095.db2.gz RMOJAATZAYYMNE-LLVKDONJSA-N 1 0 276.336 2.957 20 5 CFBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847025933 632891885 /nfs/dbraw/zinc/89/18/85/632891885.db2.gz KJJPYTQARZBCCW-AWEZNQCLSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000819075381 632953465 /nfs/dbraw/zinc/95/34/65/632953465.db2.gz IGUREHAGVVTTPG-RISCZKNCSA-N 1 0 280.368 2.900 20 5 CFBDRO CC(C)[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819093013 632962756 /nfs/dbraw/zinc/96/27/56/632962756.db2.gz IKAZRVWECIEHLR-FZMZJTMJSA-N 1 0 266.341 2.510 20 5 CFBDRO Cc1cscc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819269955 633046700 /nfs/dbraw/zinc/04/67/00/633046700.db2.gz RFGUKRFMKFDNBL-CQSZACIVSA-N 1 0 292.360 2.788 20 5 CFBDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819363581 633111750 /nfs/dbraw/zinc/11/17/50/633111750.db2.gz JOQXNFNMLROTQU-ILXRZTDVSA-N 1 0 278.352 2.652 20 5 CFBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC000848506012 633268031 /nfs/dbraw/zinc/26/80/31/633268031.db2.gz NBMIGJNEFUUGJX-ZDUSSCGKSA-N 1 0 278.356 2.794 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848786265 633343565 /nfs/dbraw/zinc/34/35/65/633343565.db2.gz PXERXYGCOAVPAG-OCCSQVGLSA-N 1 0 290.367 2.606 20 5 CFBDRO CC[C@@H](C)NC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000849006551 633457395 /nfs/dbraw/zinc/45/73/95/633457395.db2.gz PZLAIIAIXGRMGQ-GFCCVEGCSA-N 1 0 292.383 2.830 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368256 633958428 /nfs/dbraw/zinc/95/84/28/633958428.db2.gz APBLGGXPGCCUIB-HZPDHXFCSA-N 1 0 284.315 2.863 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)c1 ZINC000850369406 633959987 /nfs/dbraw/zinc/95/99/87/633959987.db2.gz JIHXMPYMNUPBST-HZPDHXFCSA-N 1 0 284.315 2.863 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537704 634042201 /nfs/dbraw/zinc/04/22/01/634042201.db2.gz XNZFAWMYOAYRIT-PRHODGIISA-N 1 0 285.294 2.873 20 5 CFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000853015353 634876163 /nfs/dbraw/zinc/87/61/63/634876163.db2.gz YJDFZXCYLLKQAT-PHIMTYICSA-N 1 0 297.305 2.863 20 5 CFBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000853588831 635043460 /nfs/dbraw/zinc/04/34/60/635043460.db2.gz HGRLWUPCLWRMOR-AWEZNQCLSA-N 1 0 292.383 2.878 20 5 CFBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000857086118 635928146 /nfs/dbraw/zinc/92/81/46/635928146.db2.gz IXSPNIYNLSBEJL-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159151961 650249488 /nfs/dbraw/zinc/24/94/88/650249488.db2.gz BAELINQBQPEWRZ-WPRPVWTQSA-N 1 0 254.717 2.994 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccns1 ZINC000860053078 636771098 /nfs/dbraw/zinc/77/10/98/636771098.db2.gz PISCVZLRUORFLT-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO Cc1ccc(CSCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000865359944 638282575 /nfs/dbraw/zinc/28/25/75/638282575.db2.gz ZICPKJAZWVDXTI-UHFFFAOYSA-N 1 0 254.355 2.698 20 5 CFBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)C[C@H]2C1 ZINC000865732864 638541446 /nfs/dbraw/zinc/54/14/46/638541446.db2.gz MRLJCBLOFIFHSZ-AOOOYVTPSA-N 1 0 297.305 2.530 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000865777953 638568184 /nfs/dbraw/zinc/56/81/84/638568184.db2.gz DLFJFMSWMFSWTR-CQSZACIVSA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865860656 638621778 /nfs/dbraw/zinc/62/17/78/638621778.db2.gz WOFQHCLJMPDYMV-CEFRJJNVSA-N 1 0 288.347 2.909 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865876730 638637912 /nfs/dbraw/zinc/63/79/12/638637912.db2.gz RIBJHICAFUMRDN-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO COCCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866234298 638776243 /nfs/dbraw/zinc/77/62/43/638776243.db2.gz LMYVFNPPDJQITE-LLVKDONJSA-N 1 0 284.331 2.681 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCO1 ZINC000866243360 638778421 /nfs/dbraw/zinc/77/84/21/638778421.db2.gz QMKFCDNKAIQTKY-RISCZKNCSA-N 1 0 296.342 2.824 20 5 CFBDRO COC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242885 638778585 /nfs/dbraw/zinc/77/85/85/638778585.db2.gz UFXULQDIFIFFQM-MNOVXSKESA-N 1 0 284.331 2.537 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCO1 ZINC000866243357 638778660 /nfs/dbraw/zinc/77/86/60/638778660.db2.gz QMKFCDNKAIQTKY-FZMZJTMJSA-N 1 0 296.342 2.824 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866271986 638786042 /nfs/dbraw/zinc/78/60/42/638786042.db2.gz HGDVUBXFSNPAIM-RISCZKNCSA-N 1 0 298.358 2.926 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866276287 638787427 /nfs/dbraw/zinc/78/74/27/638787427.db2.gz MVGMRIQOMMLIOZ-XHDPSFHLSA-N 1 0 298.358 2.926 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340345 638799408 /nfs/dbraw/zinc/79/94/08/638799408.db2.gz DBYRVHGFSKBCIG-LAPROLRISA-N 1 0 296.342 2.582 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340346 638799441 /nfs/dbraw/zinc/79/94/41/638799441.db2.gz DBYRVHGFSKBCIG-UUSVCDRXSA-N 1 0 296.342 2.582 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345017 638800583 /nfs/dbraw/zinc/80/05/83/638800583.db2.gz FCBQXRPWZGWUOS-VWYCJHECSA-N 1 0 284.331 2.678 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1=CCOCC1 ZINC000866365472 638805175 /nfs/dbraw/zinc/80/51/75/638805175.db2.gz HKNANTRZYFZXBL-LLVKDONJSA-N 1 0 294.326 2.601 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866390101 638812276 /nfs/dbraw/zinc/81/22/76/638812276.db2.gz YRBLNQSKKYEHFD-LERXQTSPSA-N 1 0 296.342 2.822 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866390099 638812422 /nfs/dbraw/zinc/81/24/22/638812422.db2.gz YRBLNQSKKYEHFD-BPNCWPANSA-N 1 0 296.342 2.822 20 5 CFBDRO C/C=C\C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866398317 638814933 /nfs/dbraw/zinc/81/49/33/638814933.db2.gz MLCKNTCXZVFIGO-UMBAGQNISA-N 1 0 252.289 2.831 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725240 638871066 /nfs/dbraw/zinc/87/10/66/638871066.db2.gz QFDAPKMYBZZXOV-OCCSQVGLSA-N 1 0 295.770 2.575 20 5 CFBDRO CC[C@H](COC)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000079754331 650616865 /nfs/dbraw/zinc/61/68/65/650616865.db2.gz SKWAKVPSTUTTOX-LLVKDONJSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016081 641547468 /nfs/dbraw/zinc/54/74/68/641547468.db2.gz DJQMYEMRVCZTFL-ZJUUUORDSA-N 1 0 268.288 2.564 20 5 CFBDRO CC[NH+]1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872018970 641549920 /nfs/dbraw/zinc/54/99/20/641549920.db2.gz QWUGBEBOZILWOZ-NSHDSACASA-N 1 0 295.358 2.869 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025107 641556598 /nfs/dbraw/zinc/55/65/98/641556598.db2.gz ZIOHDOXDBUKURJ-MNOVXSKESA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872027953 641558234 /nfs/dbraw/zinc/55/82/34/641558234.db2.gz GZZQALARGICEOE-QWRGUYRKSA-N 1 0 283.347 2.725 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034951 641565539 /nfs/dbraw/zinc/56/55/39/641565539.db2.gz SJASKWUBWMUZEN-ZANVPECISA-N 1 0 270.304 2.546 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872035789 641567415 /nfs/dbraw/zinc/56/74/15/641567415.db2.gz YZTALWIKQNDGTE-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036136 641568958 /nfs/dbraw/zinc/56/89/58/641568958.db2.gz QJIOQXREDKEKHJ-KWBADKCTSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036321 641568993 /nfs/dbraw/zinc/56/89/93/641568993.db2.gz RKHBWRUDVJEPMF-NEPJUHHUSA-N 1 0 295.358 2.726 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038667 641572185 /nfs/dbraw/zinc/57/21/85/641572185.db2.gz OQVQIAYHISDNLN-NXEZZACHSA-N 1 0 270.304 2.546 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065038 641597757 /nfs/dbraw/zinc/59/77/57/641597757.db2.gz RCVRYILSMWNIFH-VHSXEESVSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066816 641598880 /nfs/dbraw/zinc/59/88/80/641598880.db2.gz QZMKGJKYLXJXIU-JBLDHEPKSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069063 641599798 /nfs/dbraw/zinc/59/97/98/641599798.db2.gz LNPWCXNAAYVRRY-ZYHUDNBSSA-N 1 0 296.342 2.936 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072405 641603066 /nfs/dbraw/zinc/60/30/66/641603066.db2.gz FJXYXZZPGHSILN-UTLUCORTSA-N 1 0 270.304 2.808 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872084145 641617730 /nfs/dbraw/zinc/61/77/30/641617730.db2.gz DWWHFDLBEGBCIC-GMTAPVOTSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089733 641623695 /nfs/dbraw/zinc/62/36/95/641623695.db2.gz CVXSCBNFUAGWAZ-PXWWUCIGSA-N 1 0 294.326 2.952 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872091287 641624869 /nfs/dbraw/zinc/62/48/69/641624869.db2.gz WFZNDNMPOISHQD-MXWKQRLJSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000872112431 641642418 /nfs/dbraw/zinc/64/24/18/641642418.db2.gz JCNZVXGQSCTZCP-VXGBXAGGSA-N 1 0 292.335 2.589 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[C@@H]2C=CCC2)cc1 ZINC000872245649 641715840 /nfs/dbraw/zinc/71/58/40/641715840.db2.gz DVLPCVNQMRHXKO-CZUORRHYSA-N 1 0 290.363 2.964 20 5 CFBDRO C[NH2+]C1(CNc2cc(C)c([N+](=O)[O-])cn2)CCCCC1 ZINC000872630186 641881087 /nfs/dbraw/zinc/88/10/87/641881087.db2.gz XYVKCCDKFUYHMT-UHFFFAOYSA-N 1 0 278.356 2.632 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1ccco1 ZINC000873011218 641983678 /nfs/dbraw/zinc/98/36/78/641983678.db2.gz TVROADBWJVPNFW-AWEZNQCLSA-N 1 0 290.319 2.628 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCn1cccn1 ZINC000873010494 641983693 /nfs/dbraw/zinc/98/36/93/641983693.db2.gz IFEIGQNASWWZTC-UHFFFAOYSA-N 1 0 288.351 2.588 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C1CC1)N(C)C ZINC000873017035 641985486 /nfs/dbraw/zinc/98/54/86/641985486.db2.gz VNNGKAKNHGKUNT-MRXNPFEDSA-N 1 0 291.395 2.641 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000873058504 641998696 /nfs/dbraw/zinc/99/86/96/641998696.db2.gz PKTNTZWBVCSTKJ-CMPLNLGQSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC(C)(O)CC1 ZINC000873069687 642003174 /nfs/dbraw/zinc/00/31/74/642003174.db2.gz LJLPYUBCSIDXIS-UHFFFAOYSA-N 1 0 292.379 2.995 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000873078845 642007182 /nfs/dbraw/zinc/00/71/82/642007182.db2.gz QMUXDTVRMZBFDW-HDJSIYSDSA-N 1 0 292.379 2.852 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000873098368 642012675 /nfs/dbraw/zinc/01/26/75/642012675.db2.gz FGJAHECRFALTRH-YPMHNXCESA-N 1 0 278.352 2.869 20 5 CFBDRO COCC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873133403 642024490 /nfs/dbraw/zinc/02/44/90/642024490.db2.gz HGJFDCUHQNMZQZ-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000873150100 642031304 /nfs/dbraw/zinc/03/13/04/642031304.db2.gz XCQJRRLVPMVETB-XJKSGUPXSA-N 1 0 290.363 2.869 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000084439909 650774641 /nfs/dbraw/zinc/77/46/41/650774641.db2.gz SPNXQLWAZNWYNS-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](C[NH+](C)C)C1 ZINC000876730608 642985592 /nfs/dbraw/zinc/98/55/92/642985592.db2.gz HYCGZAHRHDIYPL-CQSZACIVSA-N 1 0 291.395 2.595 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)[C@@H]1C ZINC000876894874 643055195 /nfs/dbraw/zinc/05/51/95/643055195.db2.gz STGLYNOODGJAKQ-BWDQXMCASA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@H]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876972735 643088435 /nfs/dbraw/zinc/08/84/35/643088435.db2.gz ZAMPMTKLCZEBGL-FEPKRQSRSA-N 1 0 292.383 2.911 20 5 CFBDRO CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877028135 643110279 /nfs/dbraw/zinc/11/02/79/643110279.db2.gz YINNROVUMDCBRC-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877062624 643129276 /nfs/dbraw/zinc/12/92/76/643129276.db2.gz AVSUQTOUZNKNDH-JTQLQIEISA-N 1 0 289.162 2.921 20 5 CFBDRO CC[C@@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877086139 643144416 /nfs/dbraw/zinc/14/44/16/643144416.db2.gz UBODYFPWKSIUAI-MLCFOIATSA-N 1 0 278.356 2.663 20 5 CFBDRO C[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H]1C ZINC000877337072 643241371 /nfs/dbraw/zinc/24/13/71/643241371.db2.gz NBIYJMIJGXPMTG-BFKVFCTQSA-N 1 0 292.383 2.909 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H]1C ZINC000877337074 643241825 /nfs/dbraw/zinc/24/18/25/643241825.db2.gz NBIYJMIJGXPMTG-LYGKVCMISA-N 1 0 292.383 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000877488229 643303562 /nfs/dbraw/zinc/30/35/62/643303562.db2.gz CTJJXPCPYFWKBJ-CYBMUJFWSA-N 1 0 290.363 2.680 20 5 CFBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877614895 643400828 /nfs/dbraw/zinc/40/08/28/643400828.db2.gz ONRWPXULERKILZ-KPPDAEKUSA-N 1 0 266.345 2.519 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCC34CC4)C2)c1 ZINC000877661261 643439414 /nfs/dbraw/zinc/43/94/14/643439414.db2.gz ZGIAETJFDSDRKK-PNESKVBLSA-N 1 0 290.367 2.665 20 5 CFBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877777726 643554265 /nfs/dbraw/zinc/55/42/65/643554265.db2.gz CSGNIGHBAREPHO-KOLCDFICSA-N 1 0 286.759 2.887 20 5 CFBDRO CC1(C)CO[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000878303497 643829579 /nfs/dbraw/zinc/82/95/79/643829579.db2.gz SXFPBHMNHWKDOQ-CYBMUJFWSA-N 1 0 290.363 2.768 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000878416587 643884273 /nfs/dbraw/zinc/88/42/73/643884273.db2.gz MDXCKTOIWOUJNE-VIFPVBQESA-N 1 0 280.353 2.549 20 5 CFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000878421723 643887381 /nfs/dbraw/zinc/88/73/81/643887381.db2.gz CMGKTTPUEUOIGF-NEPJUHHUSA-N 1 0 294.351 2.581 20 5 CFBDRO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318288 644223337 /nfs/dbraw/zinc/22/33/37/644223337.db2.gz SKGWNGFQCKAUQH-YPMHNXCESA-N 1 0 264.325 2.594 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)nc2c1 ZINC000879530175 644308719 /nfs/dbraw/zinc/30/87/19/644308719.db2.gz NTODIKMWNXXWOB-TXEJJXNPSA-N 1 0 298.346 2.869 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879559927 644319977 /nfs/dbraw/zinc/31/99/77/644319977.db2.gz TZOUCSMFXQRVSZ-QWRGUYRKSA-N 1 0 296.367 2.919 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879962630 644478850 /nfs/dbraw/zinc/47/88/50/644478850.db2.gz VFZCUXNGFPQNEK-NSHDSACASA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1ccc(C[NH+]2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000880239039 644602366 /nfs/dbraw/zinc/60/23/66/644602366.db2.gz SEEXNWOUUGFKBE-UHFFFAOYSA-N 1 0 252.289 2.837 20 5 CFBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000128432396 644706558 /nfs/dbraw/zinc/70/65/58/644706558.db2.gz QVQHEFPSNALAPI-CYBMUJFWSA-N 1 0 283.347 2.539 20 5 CFBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000094801404 650963751 /nfs/dbraw/zinc/96/37/51/650963751.db2.gz FWIXUGYZTOMGRE-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO CC(=O)c1c(N[C@@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000882381815 645295206 /nfs/dbraw/zinc/29/52/06/645295206.db2.gz HTHCAVQMMDNJRI-NSHDSACASA-N 1 0 293.367 2.938 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000882965062 645532998 /nfs/dbraw/zinc/53/29/98/645532998.db2.gz VJTAZPVWGVVSCD-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883090165 645601584 /nfs/dbraw/zinc/60/15/84/645601584.db2.gz DFDHUTOFRRJTKK-IHVVCDCBSA-N 1 0 278.352 2.628 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)CC1CCC1 ZINC000883126669 645615324 /nfs/dbraw/zinc/61/53/24/645615324.db2.gz WXQQUTHKOYKSTD-AWEZNQCLSA-N 1 0 292.379 2.852 20 5 CFBDRO COc1cc(C[NH2+]C[C@H]2C=CCC2)c([N+](=O)[O-])cc1OC ZINC000883238509 645686880 /nfs/dbraw/zinc/68/68/80/645686880.db2.gz DYUGZRZTQOYTLA-NSHDSACASA-N 1 0 292.335 2.668 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccns1 ZINC000883246241 645694468 /nfs/dbraw/zinc/69/44/68/645694468.db2.gz DTSCBNVGPNRNFL-ZDUSSCGKSA-N 1 0 289.360 2.871 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000883319268 645737738 /nfs/dbraw/zinc/73/77/38/645737738.db2.gz VEQYTEWATBBKRS-GYSYKLTISA-N 1 0 296.342 2.680 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000883320156 645738097 /nfs/dbraw/zinc/73/80/97/645738097.db2.gz CDMXBVRGWOKADI-UPJWGTAASA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000253203264 651040205 /nfs/dbraw/zinc/04/02/05/651040205.db2.gz ZKYMVDJXUXLICV-CMPLNLGQSA-N 1 0 297.786 2.665 20 5 CFBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000883354921 645760112 /nfs/dbraw/zinc/76/01/12/645760112.db2.gz FEVZUXDWZJFRBQ-JSGCOSHPSA-N 1 0 277.368 2.648 20 5 CFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883420478 645814625 /nfs/dbraw/zinc/81/46/25/645814625.db2.gz MDYRYEHPWOIDGU-KBPBESRZSA-N 1 0 295.358 2.505 20 5 CFBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000886049004 646842466 /nfs/dbraw/zinc/84/24/66/646842466.db2.gz CXEWUUSIVWKHOQ-ZDUSSCGKSA-N 1 0 272.308 2.655 20 5 CFBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000886209443 646921906 /nfs/dbraw/zinc/92/19/06/646921906.db2.gz NAAIFSDUSRQPFE-ZDUSSCGKSA-N 1 0 293.367 2.769 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(C2CC2)CC1 ZINC000886216186 646924880 /nfs/dbraw/zinc/92/48/80/646924880.db2.gz YTPLFJCYSZSCHM-UHFFFAOYSA-N 1 0 261.325 2.612 20 5 CFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229551 646930152 /nfs/dbraw/zinc/93/01/52/646930152.db2.gz RNZREMKCNLIIKU-QWHCGFSZSA-N 1 0 293.367 2.672 20 5 CFBDRO C[N@H+](CCC(C)(C)C)Cc1cccnc1[N+](=O)[O-] ZINC000886265440 646939493 /nfs/dbraw/zinc/93/94/93/646939493.db2.gz IWYDJGLBNVCDDE-UHFFFAOYSA-N 1 0 251.330 2.858 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000886284503 646952302 /nfs/dbraw/zinc/95/23/02/646952302.db2.gz ZIKTYTCYZAOASZ-XSRFYTQQSA-N 1 0 281.331 2.996 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000886310862 646963098 /nfs/dbraw/zinc/96/30/98/646963098.db2.gz XDDPMSPTPYHUMO-ZDUSSCGKSA-N 1 0 291.351 2.571 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)cc1[N+](=O)[O-] ZINC000886636467 647080700 /nfs/dbraw/zinc/08/07/00/647080700.db2.gz OKMFKNOIHYFHQF-HZPDHXFCSA-N 1 0 290.363 2.640 20 5 CFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886650330 647089465 /nfs/dbraw/zinc/08/94/65/647089465.db2.gz UMARLWYJPSUESK-WOPDTQHZSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(C3CC3)CCC2)c1 ZINC000887147519 647231702 /nfs/dbraw/zinc/23/17/02/647231702.db2.gz QBLBMNMPYLWHOV-AWEZNQCLSA-N 1 0 276.336 2.551 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)C2(Cl)CC2)cc1[N+](=O)[O-] ZINC000924842210 648056753 /nfs/dbraw/zinc/05/67/53/648056753.db2.gz PGSVOPPXVDKXKF-SECBINFHSA-N 1 0 284.743 2.853 20 5 CFBDRO C[C@H]1NCCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925571426 648223010 /nfs/dbraw/zinc/22/30/10/648223010.db2.gz HSZCDYXJKKCLLL-CJNGLKHVSA-N 1 0 291.395 2.648 20 5 CFBDRO C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000925784780 648322313 /nfs/dbraw/zinc/32/23/13/648322313.db2.gz NTAGCYJEWJZKKH-WKPIXPDZSA-N 1 0 289.379 2.515 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000926268843 648452377 /nfs/dbraw/zinc/45/23/77/648452377.db2.gz IUULXTIQZTZFTJ-HBYGRHMLSA-N 1 0 278.352 2.664 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc([N+](=O)[O-])cc1 ZINC000926941152 648665542 /nfs/dbraw/zinc/66/55/42/648665542.db2.gz CPSACPIQKGGOSY-ZIEJDFEHSA-N 1 0 288.347 2.837 20 5 CFBDRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC[N+](=O)[O-] ZINC000929370551 649040797 /nfs/dbraw/zinc/04/07/97/649040797.db2.gz ROQFDYQVNVKECF-VIFPVBQESA-N 1 0 276.258 2.975 20 5 CFBDRO O=[N+]([O-])CC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000929912318 649149183 /nfs/dbraw/zinc/14/91/83/649149183.db2.gz PQJOHGHCYAPHGM-UHFFFAOYSA-N 1 0 266.316 2.847 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])ccc1OCC(C)C ZINC000930201781 649205883 /nfs/dbraw/zinc/20/58/83/649205883.db2.gz HNVBSLLOVPHIOC-GFCCVEGCSA-N 1 0 296.367 2.657 20 5 CFBDRO CCSc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930215346 649207972 /nfs/dbraw/zinc/20/79/72/649207972.db2.gz SWKUUNQACWHSAB-SNVBAGLBSA-N 1 0 254.355 2.726 20 5 CFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000930233639 649211208 /nfs/dbraw/zinc/21/12/08/649211208.db2.gz SNMJEUPZCGWTME-SNVBAGLBSA-N 1 0 282.315 2.542 20 5 CFBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930239239 649211908 /nfs/dbraw/zinc/21/19/08/649211908.db2.gz UZFAMUPEZHZBRN-OASPWFOLSA-N 1 0 268.744 2.903 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000930823873 649331971 /nfs/dbraw/zinc/33/19/71/649331971.db2.gz XKDFCDIOMJDOCY-UHFFFAOYSA-N 1 0 254.717 2.586 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C)CC1 ZINC000932344937 649580997 /nfs/dbraw/zinc/58/09/97/649580997.db2.gz DNILZGRKXVWEKC-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000932370822 649586611 /nfs/dbraw/zinc/58/66/11/649586611.db2.gz VPWIQNJSASJVRT-VIFPVBQESA-N 1 0 270.304 2.637 20 5 CFBDRO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934127679 649753613 /nfs/dbraw/zinc/75/36/13/649753613.db2.gz NZMAOOTXPLGFHF-ZLKJLUDKSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934200355 649759249 /nfs/dbraw/zinc/75/92/49/649759249.db2.gz CQXIVMJLLBPBIW-JTQLQIEISA-N 1 0 293.348 2.781 20 5 CFBDRO CCCCC1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934205592 649760926 /nfs/dbraw/zinc/76/09/26/649760926.db2.gz OWXQYUDQZAIJGI-CQSZACIVSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000934234096 649764986 /nfs/dbraw/zinc/76/49/86/649764986.db2.gz JHVMKSWAKIZOOS-SNVBAGLBSA-N 1 0 277.349 2.772 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000934338517 649776527 /nfs/dbraw/zinc/77/65/27/649776527.db2.gz WSNLSDWMKFACQQ-GWCFXTLKSA-N 1 0 291.307 2.877 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000934776581 649829997 /nfs/dbraw/zinc/82/99/97/649829997.db2.gz ZACNEYXJWMTEQH-PWSUYJOCSA-N 1 0 284.406 2.841 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000934779744 649830249 /nfs/dbraw/zinc/83/02/49/649830249.db2.gz YOALEJPXIFZCBM-OCCSQVGLSA-N 1 0 278.377 2.780 20 5 CFBDRO Cc1c(C[NH2+]CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000037999790 770097362 /nfs/dbraw/zinc/09/73/62/770097362.db2.gz WBKNSIOLCULRDH-CYBMUJFWSA-N 1 0 264.325 2.562 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001167406966 770432581 /nfs/dbraw/zinc/43/25/81/770432581.db2.gz YUZYDGOAZPWAMA-CYBMUJFWSA-N 1 0 294.399 2.977 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000723991042 770735383 /nfs/dbraw/zinc/73/53/83/770735383.db2.gz YSZINPNPFSIQGX-ZIAGYGMSSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[NH+](CC)C[C@H](C)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC001224181969 775120942 /nfs/dbraw/zinc/12/09/42/775120942.db2.gz BWYUDJBHWHWDCN-LBPRGKRZSA-N 1 0 295.383 2.854 20 5 CFBDRO CC(C)=CCC/C(C)=C/COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224614567 775226523 /nfs/dbraw/zinc/22/65/23/775226523.db2.gz CASGDSIVWSHFJX-AAGJOFLKSA-N 1 0 298.447 2.680 20 5 CFBDRO C[C@H](OCCC[N+](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001224622072 775229257 /nfs/dbraw/zinc/22/92/57/775229257.db2.gz FSMQOZTUGNEKNR-LBPRGKRZSA-N 1 0 267.349 2.769 20 5 CFBDRO C[N+](C)(C)CCCO[C@@H]1CCc2cc(F)ccc21 ZINC001224621402 775229785 /nfs/dbraw/zinc/22/97/85/775229785.db2.gz SVQGJJGNHINXDQ-OAHLLOKOSA-N 1 0 252.353 2.926 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000693919470 775249769 /nfs/dbraw/zinc/24/97/69/775249769.db2.gz OXOUTJHDUBHSAK-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO C[N+](C)(C)CCO[C@@H](C(=O)c1ccco1)c1ccco1 ZINC001224775419 775271660 /nfs/dbraw/zinc/27/16/60/775271660.db2.gz KDHQUQWVKHUAHC-OAHLLOKOSA-N 1 0 278.328 2.519 20 5 CFBDRO CCCOc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001225255340 775379861 /nfs/dbraw/zinc/37/98/61/775379861.db2.gz AXJKLSKDNJLIIX-CYBMUJFWSA-N 1 0 252.378 2.949 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1cc[nH]n1 ZINC001225367178 775431616 /nfs/dbraw/zinc/43/16/16/775431616.db2.gz RAMCNGWKCXZIEO-LBPRGKRZSA-N 1 0 260.361 2.550 20 5 CFBDRO Cc1c(O[C@H]2CC[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001218028161 775453492 /nfs/dbraw/zinc/45/34/92/775453492.db2.gz SUKOEFCPUFAWJI-GWCFXTLKSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[NH2+][C@@H](C)C1 ZINC001218062523 775465911 /nfs/dbraw/zinc/46/59/11/775465911.db2.gz VDBFPIQRLFIPPI-CABZTGNLSA-N 1 0 264.325 2.731 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225575378 775507711 /nfs/dbraw/zinc/50/77/11/775507711.db2.gz PECQXBNMDFXVHX-NSHDSACASA-N 1 0 268.288 2.597 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC001225575793 775508273 /nfs/dbraw/zinc/50/82/73/775508273.db2.gz WVUJVFJBFCIHEW-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225578050 775509053 /nfs/dbraw/zinc/50/90/53/775509053.db2.gz LLRPJUMAELMSKB-GFCCVEGCSA-N 1 0 282.315 2.986 20 5 CFBDRO Cc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001225664338 775547681 /nfs/dbraw/zinc/54/76/81/775547681.db2.gz ZVLDOAZEBIMBKM-HAQNSBGRSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001225682730 775556842 /nfs/dbraw/zinc/55/68/42/775556842.db2.gz MMFGCEACJXZBNB-UHFFFAOYSA-N 1 0 276.336 2.909 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001225681852 775557175 /nfs/dbraw/zinc/55/71/75/775557175.db2.gz FKCLWSVANVOTJM-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO COc1ccc(OC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001225768582 775587898 /nfs/dbraw/zinc/58/78/98/775587898.db2.gz AJZBPCVJLQKDPQ-UHFFFAOYSA-N 1 0 292.335 2.609 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225778705 775590471 /nfs/dbraw/zinc/59/04/71/775590471.db2.gz JRNMTOSOERMPGZ-SECBINFHSA-N 1 0 286.278 2.735 20 5 CFBDRO C[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225785980 775593122 /nfs/dbraw/zinc/59/31/22/775593122.db2.gz NHEFDOKAYFUBPT-UHFFFAOYSA-N 1 0 270.716 2.721 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001225905506 775629978 /nfs/dbraw/zinc/62/99/78/775629978.db2.gz VCDNOBXZVAOZNK-GDNZZTSVSA-N 1 0 280.299 2.738 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225907376 775631138 /nfs/dbraw/zinc/63/11/38/775631138.db2.gz NDQRCOJXUFUIRJ-LBPRGKRZSA-N 1 0 282.315 2.986 20 5 CFBDRO CCC(=O)Nc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001226058744 775684138 /nfs/dbraw/zinc/68/41/38/775684138.db2.gz ANMQPSNMCDJBNT-GFCCVEGCSA-O 1 0 265.377 2.509 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc([N+](=O)[O-])cc1Cl ZINC001226256835 775758156 /nfs/dbraw/zinc/75/81/56/775758156.db2.gz YYMHYXLEIBJNJU-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001226443357 775824797 /nfs/dbraw/zinc/82/47/97/775824797.db2.gz SNXCDWBOQNDTHI-PTEHBNRSSA-N 1 0 292.335 2.607 20 5 CFBDRO O=[N+]([O-])c1cccc(OC2CC[NH+](C3CC3)CC2)c1 ZINC001226763658 775953050 /nfs/dbraw/zinc/95/30/50/775953050.db2.gz YVJPPWLHMWUVGX-UHFFFAOYSA-N 1 0 262.309 2.600 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908122 776012373 /nfs/dbraw/zinc/01/23/73/776012373.db2.gz DNSJXDYFYCQFID-QMMMGPOBSA-N 1 0 288.706 2.860 20 5 CFBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](C3CC3)CC2)cc1Cl ZINC001226918070 776016628 /nfs/dbraw/zinc/01/66/28/776016628.db2.gz PQAGQSRLCKEFOK-UHFFFAOYSA-N 1 0 297.742 2.649 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226918383 776016851 /nfs/dbraw/zinc/01/68/51/776016851.db2.gz UINZTERGGBXKMZ-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226918560 776017709 /nfs/dbraw/zinc/01/77/09/776017709.db2.gz ZRQQRMGDTMEJRN-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)n1 ZINC001227062987 776079679 /nfs/dbraw/zinc/07/96/79/776079679.db2.gz XETIIMQSFWAPIS-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccccn2)cn1 ZINC001227294566 776172837 /nfs/dbraw/zinc/17/28/37/776172837.db2.gz KHNIYRLMSHLPPY-CYBMUJFWSA-N 1 0 272.372 2.617 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001227523688 776218839 /nfs/dbraw/zinc/21/88/39/776218839.db2.gz PSRMEIYYZDFCKO-AULYBMBSSA-N 1 0 264.325 2.846 20 5 CFBDRO Cc1ccnc(O[C@H](C)C[N+](C)(C)C)c1Br ZINC001227902572 776324408 /nfs/dbraw/zinc/32/44/08/776324408.db2.gz IKANKNYFZCAAOZ-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227990402 776352973 /nfs/dbraw/zinc/35/29/73/776352973.db2.gz LXAVUCXMKBIGEH-UHFFFAOYSA-N 1 0 279.340 2.632 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018164 776365554 /nfs/dbraw/zinc/36/55/54/776365554.db2.gz WIKYWRRLFPCXIN-SECBINFHSA-N 1 0 285.731 2.505 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nnc(Cl)c2ccccc21 ZINC001228277178 776442439 /nfs/dbraw/zinc/44/24/39/776442439.db2.gz GAKGNJAOIXYULK-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO CCC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001228453589 776496558 /nfs/dbraw/zinc/49/65/58/776496558.db2.gz ACJOAWMIFJWAIV-GFCCVEGCSA-N 1 0 250.362 2.753 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001228570361 776524157 /nfs/dbraw/zinc/52/41/57/776524157.db2.gz CCKPLBZRPNJICE-CYBMUJFWSA-N 1 0 264.325 2.685 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)cc(F)c1[N+](=O)[O-])C2 ZINC001228610224 776538649 /nfs/dbraw/zinc/53/86/49/776538649.db2.gz RJYGWIBTNXIJHA-URLYPYJESA-N 1 0 298.289 2.877 20 5 CFBDRO Cc1c(NCC[NH+]2CCSCC2)cc(F)cc1[N+](=O)[O-] ZINC001167837705 776589542 /nfs/dbraw/zinc/58/95/42/776589542.db2.gz QOGZBSMCSCTFOJ-UHFFFAOYSA-N 1 0 299.371 2.503 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c2cccnc12 ZINC001228747622 776595623 /nfs/dbraw/zinc/59/56/23/776595623.db2.gz OUCFXXLWMHDCFP-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001228933775 776661568 /nfs/dbraw/zinc/66/15/68/776661568.db2.gz JZQHQFYFUGGCRB-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229113290 776721375 /nfs/dbraw/zinc/72/13/75/776721375.db2.gz ACDFVOBEDJVSTB-GDXASINISA-N 1 0 276.336 2.797 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](OCc2cccc(C)c2[N+](=O)[O-])C1 ZINC001223662034 776745825 /nfs/dbraw/zinc/74/58/25/776745825.db2.gz ZXSMHJPJWIPMIW-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO CC(C)c1cccc(O[C@@H](C)C[N+](C)(C)C)c(=O)c1 ZINC001229635229 776862753 /nfs/dbraw/zinc/86/27/53/776862753.db2.gz UTFUGGGHQHQTAG-ZDUSSCGKSA-N 1 0 264.389 2.644 20 5 CFBDRO Cc1cc(O)c(OC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC001229750048 776886489 /nfs/dbraw/zinc/88/64/89/776886489.db2.gz JQEVTONYKDIBDI-UHFFFAOYSA-N 1 0 292.335 2.614 20 5 CFBDRO Cc1ncc(O[C@H](C)C[N+](C)(C)C)cc1Br ZINC001229892000 776911817 /nfs/dbraw/zinc/91/18/17/776911817.db2.gz YAVJAKPCKZYIOK-SECBINFHSA-N 1 0 288.209 2.626 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001229895702 776912517 /nfs/dbraw/zinc/91/25/17/776912517.db2.gz VIFUJBXQBWIJJK-LLVKDONJSA-N 1 0 282.315 2.905 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229915522 776916962 /nfs/dbraw/zinc/91/69/62/776916962.db2.gz PVNSTUMEFNDOBI-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001230144971 776955312 /nfs/dbraw/zinc/95/53/12/776955312.db2.gz BNDUSQQDRAWQGR-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO O=[N+]([O-])c1cccc2cc(O[C@@H]3C[NH+]4CCC3CC4)cnc21 ZINC001231156432 777159599 /nfs/dbraw/zinc/15/95/99/777159599.db2.gz KPXVREXPYWFQDX-OAHLLOKOSA-N 1 0 299.330 2.616 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)[nH]c2ccc(F)cc21 ZINC001231391547 777207477 /nfs/dbraw/zinc/20/74/77/777207477.db2.gz FYDMSVMHSKKAEV-SNVBAGLBSA-O 1 0 279.335 2.553 20 5 CFBDRO OC1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219925 777479000 /nfs/dbraw/zinc/47/90/00/777479000.db2.gz XNJKXSVAEFUJMP-UHFFFAOYSA-N 1 0 293.370 2.740 20 5 CFBDRO C[NH+](C)C1CCC(Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226333928 777511635 /nfs/dbraw/zinc/51/16/35/777511635.db2.gz PDTAPZNDJGAFQX-UHFFFAOYSA-N 1 0 280.324 2.552 20 5 CFBDRO CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168000130 777550775 /nfs/dbraw/zinc/55/07/75/777550775.db2.gz NSMHXDIVEMGSRH-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226916052 777697884 /nfs/dbraw/zinc/69/78/84/777697884.db2.gz WZPSNWLIXIYJDL-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001233574546 777996800 /nfs/dbraw/zinc/99/68/00/777996800.db2.gz JMYGISKCBZUOAX-SNVBAGLBSA-N 1 0 297.311 2.612 20 5 CFBDRO CC[NH+]1CCC(Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233695627 778042917 /nfs/dbraw/zinc/04/29/17/778042917.db2.gz NVKIMSVXFBADLL-UHFFFAOYSA-N 1 0 286.278 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc2ncccc2c1O[C@H]1C[NH+]2CCC1CC2 ZINC001233777970 778073682 /nfs/dbraw/zinc/07/36/82/778073682.db2.gz DJQPAHLOPQKFLH-HNNXBMFYSA-N 1 0 299.330 2.616 20 5 CFBDRO O=[N+]([O-])c1ccc2ncccc2c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001233777973 778073804 /nfs/dbraw/zinc/07/38/04/778073804.db2.gz DJQPAHLOPQKFLH-OAHLLOKOSA-N 1 0 299.330 2.616 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233778638 778075390 /nfs/dbraw/zinc/07/53/90/778075390.db2.gz LPEOCWWPANCYLC-NSHDSACASA-N 1 0 287.319 2.616 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234057582 778155495 /nfs/dbraw/zinc/15/54/95/778155495.db2.gz VZEYBEZPQFBQEE-SNVBAGLBSA-N 1 0 268.288 2.515 20 5 CFBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC1(C)CC[NH2+]CC1 ZINC001168188852 778233097 /nfs/dbraw/zinc/23/30/97/778233097.db2.gz FAXBGLXLJMCMAZ-UHFFFAOYSA-N 1 0 267.304 2.596 20 5 CFBDRO F[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2cc3ccccc3cc21 ZINC001168227165 778258922 /nfs/dbraw/zinc/25/89/22/778258922.db2.gz OIPJXWXIFTYZPW-ZBFHGGJFSA-N 1 0 296.349 2.895 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2c(c(Cl)c1)C(=O)CC2 ZINC001234846790 778307378 /nfs/dbraw/zinc/30/73/78/778307378.db2.gz SZNMUGCGPPMUPT-JTQLQIEISA-N 1 0 282.791 2.942 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000159444951 778568385 /nfs/dbraw/zinc/56/83/85/778568385.db2.gz MSJFIDIKWHZZHH-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO Cc1ccc2c(c1O[C@@H](C)C[N+](C)(C)C)CCCC2=O ZINC001234852437 779272774 /nfs/dbraw/zinc/27/27/74/779272774.db2.gz WAAKBSMCJVISTL-ZDUSSCGKSA-N 1 0 276.400 2.988 20 5 CFBDRO CCC1(Nc2c(Cl)cc(C)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168586922 780010155 /nfs/dbraw/zinc/01/01/55/780010155.db2.gz NTLWEANUFKJYRI-UHFFFAOYSA-N 1 0 269.732 2.721 20 5 CFBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001168596927 780027260 /nfs/dbraw/zinc/02/72/60/780027260.db2.gz TYBJQLOPLXIJJB-ONGXEEELSA-N 1 0 298.774 2.928 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000453164494 780421689 /nfs/dbraw/zinc/42/16/89/780421689.db2.gz ALGRPYJSOMPUCW-LSDHHAIUSA-N 1 0 290.363 2.685 20 5 CFBDRO C[NH+](C)CCCCNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001161730983 780491337 /nfs/dbraw/zinc/49/13/37/780491337.db2.gz NHUMNFRJFCMBRJ-UHFFFAOYSA-N 1 0 276.340 2.830 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000701050667 780753095 /nfs/dbraw/zinc/75/30/95/780753095.db2.gz VABYLBGPGZTDHH-RZGXBDKHSA-N 1 0 282.315 2.635 20 5 CFBDRO CC1(C)CC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000701968720 780858703 /nfs/dbraw/zinc/85/87/03/780858703.db2.gz FYNOYUYTZPAMMC-AWEZNQCLSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2(F)CCC2)cc1 ZINC000702508514 780927867 /nfs/dbraw/zinc/92/78/67/780927867.db2.gz NLSNDDGCBNJJKJ-CYBMUJFWSA-N 1 0 282.315 2.500 20 5 CFBDRO Cc1c(C[NH2+]C2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000702968688 780972876 /nfs/dbraw/zinc/97/28/76/780972876.db2.gz UNLYMNHPUKBAAC-UHFFFAOYSA-N 1 0 278.352 2.686 20 5 CFBDRO CC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000703523344 781024658 /nfs/dbraw/zinc/02/46/58/781024658.db2.gz LCFXVKULFPWELN-UHFFFAOYSA-N 1 0 282.315 2.517 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCSC2)cs1 ZINC000704790526 781117536 /nfs/dbraw/zinc/11/75/36/781117536.db2.gz NQTPGUFEYWWRPK-SECBINFHSA-N 1 0 272.395 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCSC2)c(F)c1 ZINC000704872384 781125742 /nfs/dbraw/zinc/12/57/42/781125742.db2.gz UCOZYNDNVDMXLT-SNVBAGLBSA-N 1 0 284.356 2.967 20 5 CFBDRO C[C@H]([NH2+]CCc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000709826689 781319519 /nfs/dbraw/zinc/31/95/19/781319519.db2.gz RZXZSDMCICCKGS-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCC2CCC2)cc1 ZINC000711164822 781393614 /nfs/dbraw/zinc/39/36/14/781393614.db2.gz DOSYGCRZGLEKJT-HNNXBMFYSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1F ZINC000711473967 781439914 /nfs/dbraw/zinc/43/99/14/781439914.db2.gz YNHJMHZDYYSSIE-LLVKDONJSA-N 1 0 270.279 2.915 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000711702119 781465893 /nfs/dbraw/zinc/46/58/93/781465893.db2.gz KIQNXQALARSGGT-NSHDSACASA-N 1 0 262.309 2.659 20 5 CFBDRO COc1cc(C[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000124337288 187133075 /nfs/dbraw/zinc/13/30/75/187133075.db2.gz FSWYJWHBBRWCLR-SNVBAGLBSA-N 1 0 280.324 2.596 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CO1 ZINC000594937820 349519405 /nfs/dbraw/zinc/51/94/05/349519405.db2.gz JAPFPQLWIRBEOK-CHWSQXEVSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000273050374 192030215 /nfs/dbraw/zinc/03/02/15/192030215.db2.gz KGRJPVBFPTZXIG-GJZGRUSLSA-N 1 0 294.326 2.781 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000594941950 349521091 /nfs/dbraw/zinc/52/10/91/349521091.db2.gz DDGFFNZSBSLUFX-OLZOCXBDSA-N 1 0 298.770 2.948 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCO[C@@H]1CC1(F)F ZINC000594971114 349536053 /nfs/dbraw/zinc/53/60/53/349536053.db2.gz UWQWOGKAWLPYKZ-MASHWEEQSA-N 1 0 298.289 2.622 20 5 CFBDRO COc1cc(C[NH2+]CCCC2CCC2)c([N+](=O)[O-])cc1O ZINC000594978159 349536645 /nfs/dbraw/zinc/53/66/45/349536645.db2.gz QNCKHLWFJDOOEJ-UHFFFAOYSA-N 1 0 294.351 2.979 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594985710 349538797 /nfs/dbraw/zinc/53/87/97/349538797.db2.gz NOMVZZTXNSBKRD-GFCCVEGCSA-N 1 0 286.278 2.738 20 5 CFBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594993533 349541410 /nfs/dbraw/zinc/54/14/10/349541410.db2.gz BIAQLNBHUASDCL-JTQLQIEISA-N 1 0 270.354 2.561 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000595010837 349547891 /nfs/dbraw/zinc/54/78/91/349547891.db2.gz ZERAKPDZWUYZRF-OUAUKWLOSA-N 1 0 264.325 2.910 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000595018966 349552162 /nfs/dbraw/zinc/55/21/62/349552162.db2.gz VADVYTFTLVLGCC-RYUDHWBXSA-N 1 0 296.367 2.661 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018998 349552246 /nfs/dbraw/zinc/55/22/46/349552246.db2.gz PDOLQTYLPWQNQD-ABAIWWIYSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000595029310 349556842 /nfs/dbraw/zinc/55/68/42/349556842.db2.gz WMZQQNIPWSWQAL-FZMZJTMJSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCOCC1 ZINC000595035473 349558141 /nfs/dbraw/zinc/55/81/41/349558141.db2.gz JAWMWVBBTNDTEL-NSHDSACASA-N 1 0 294.351 2.681 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056911 349568706 /nfs/dbraw/zinc/56/87/06/349568706.db2.gz SMQPUEGOYPLVFW-HUUCEWRRSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)(C)O ZINC000595038429 349560287 /nfs/dbraw/zinc/56/02/87/349560287.db2.gz NUFGPXGESPHYCE-YGRLFVJLSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC000595041831 349560584 /nfs/dbraw/zinc/56/05/84/349560584.db2.gz SKSWAPDZCNSSDQ-CYBMUJFWSA-N 1 0 286.335 2.724 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CCCO ZINC000595042143 349561098 /nfs/dbraw/zinc/56/10/98/349561098.db2.gz PJBXQNSMJHPGEL-RYUDHWBXSA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595088902 349576953 /nfs/dbraw/zinc/57/69/53/349576953.db2.gz LORGOLMXJZNGDO-WCQYABFASA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)CC1CC1 ZINC000595088160 349577155 /nfs/dbraw/zinc/57/71/55/349577155.db2.gz HYNBPIXWYSZIGP-DOMZBBRYSA-N 1 0 290.363 2.580 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)CC1CC1 ZINC000595088161 349577593 /nfs/dbraw/zinc/57/75/93/349577593.db2.gz HYNBPIXWYSZIGP-IUODEOHRSA-N 1 0 290.363 2.580 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000595092776 349579273 /nfs/dbraw/zinc/57/92/73/349579273.db2.gz WMUCHCJGVBFWMZ-JSGCOSHPSA-N 1 0 292.379 2.962 20 5 CFBDRO CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000595305156 349598348 /nfs/dbraw/zinc/59/83/48/349598348.db2.gz XCYWVKKDWOEZNP-UHFFFAOYSA-N 1 0 284.331 2.717 20 5 CFBDRO CC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595318437 349601468 /nfs/dbraw/zinc/60/14/68/349601468.db2.gz KXAKMTSSQDGBJJ-LLVKDONJSA-N 1 0 267.329 2.903 20 5 CFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333340 349604745 /nfs/dbraw/zinc/60/47/45/349604745.db2.gz SDHLGGRPJWXGCO-WCBMZHEXSA-N 1 0 253.302 2.512 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595324437 349602495 /nfs/dbraw/zinc/60/24/95/349602495.db2.gz FOKFOBXVKXQIRH-WCBMZHEXSA-N 1 0 253.302 2.512 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595292535 349592178 /nfs/dbraw/zinc/59/21/78/349592178.db2.gz RWHXUHMAKIGYKP-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595291938 349592662 /nfs/dbraw/zinc/59/26/62/349592662.db2.gz YHQXQIKJHRHVLT-KOLCDFICSA-N 1 0 267.329 2.902 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000595333555 349604598 /nfs/dbraw/zinc/60/45/98/349604598.db2.gz JVUFZRFEFWNRFQ-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595396638 349616201 /nfs/dbraw/zinc/61/62/01/349616201.db2.gz NQXJFIQSKBFVDP-UWVGGRQHSA-N 1 0 267.329 2.759 20 5 CFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCC1CCC1)CC2 ZINC000595425960 349621616 /nfs/dbraw/zinc/62/16/16/349621616.db2.gz WQJPGXCTUDKKHG-UHFFFAOYSA-N 1 0 275.352 2.928 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000595449949 349629897 /nfs/dbraw/zinc/62/98/97/349629897.db2.gz MSGVYGIAEPXRFT-OUAUKWLOSA-N 1 0 282.315 2.732 20 5 CFBDRO Cc1noc(C[NH2+][C@H]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000595450843 349630420 /nfs/dbraw/zinc/63/04/20/349630420.db2.gz DQDKCJNPPYPGDK-JTQLQIEISA-N 1 0 253.302 2.560 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595453475 349630949 /nfs/dbraw/zinc/63/09/49/349630949.db2.gz PEOZBMVMPFHMKZ-ONGXEEELSA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000595467574 349636014 /nfs/dbraw/zinc/63/60/14/349636014.db2.gz HXMJFLBWWYBVHS-JGVFFNPUSA-N 1 0 293.245 2.664 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000595473687 349637796 /nfs/dbraw/zinc/63/77/96/349637796.db2.gz AUNSYUTUTVSSMV-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO CO[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000595476738 349638344 /nfs/dbraw/zinc/63/83/44/349638344.db2.gz OHTWCQJKZRBGHE-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO Cc1noc(CN[C@@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000595477991 349638360 /nfs/dbraw/zinc/63/83/60/349638360.db2.gz XVUCKTRDFMAIKW-ZETCQYMHSA-N 1 0 267.310 2.804 20 5 CFBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000595488210 349640951 /nfs/dbraw/zinc/64/09/51/349640951.db2.gz FHVFMHUSLXTJCY-NSHDSACASA-N 1 0 297.355 2.671 20 5 CFBDRO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000595495171 349642240 /nfs/dbraw/zinc/64/22/40/349642240.db2.gz RKOZYZGKGFARDI-JTQLQIEISA-N 1 0 270.304 2.591 20 5 CFBDRO C[N@H+](CCNc1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000068996833 346879252 /nfs/dbraw/zinc/87/92/52/346879252.db2.gz KHRIATAANSBRRX-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO CC[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000595537008 349654028 /nfs/dbraw/zinc/65/40/28/349654028.db2.gz ZUCNXMYYFNEFSL-AWEZNQCLSA-N 1 0 291.395 2.553 20 5 CFBDRO Cc1c(C[N@H+](C2CC2)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000595537187 349654131 /nfs/dbraw/zinc/65/41/31/349654131.db2.gz AJFQIRPOTUWQME-UHFFFAOYSA-N 1 0 290.363 2.783 20 5 CFBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000595553023 349657301 /nfs/dbraw/zinc/65/73/01/349657301.db2.gz UFWHHKVUKOTKJS-UWVGGRQHSA-N 1 0 267.329 2.806 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595670803 349695873 /nfs/dbraw/zinc/69/58/73/349695873.db2.gz DLYXTDSQTFBIFR-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC000595740997 349720557 /nfs/dbraw/zinc/72/05/57/349720557.db2.gz TWSKWJCLRFYSNF-CQSZACIVSA-N 1 0 292.383 2.694 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595750222 349722901 /nfs/dbraw/zinc/72/29/01/349722901.db2.gz JXIOZISBOAPSBO-MRXNPFEDSA-N 1 0 290.363 2.640 20 5 CFBDRO CCC1(CC)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595752441 349724332 /nfs/dbraw/zinc/72/43/32/349724332.db2.gz MRIDEBAAOCAATO-UHFFFAOYSA-N 1 0 280.372 2.694 20 5 CFBDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359537 346909935 /nfs/dbraw/zinc/90/99/35/346909935.db2.gz VWTKBCWHIQGQMI-ZFWWWQNUSA-N 1 0 278.352 2.685 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326502 346909987 /nfs/dbraw/zinc/90/99/87/346909987.db2.gz WZSMJNKXQKUFSM-GXTWGEPZSA-N 1 0 264.325 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000595808638 349736541 /nfs/dbraw/zinc/73/65/41/349736541.db2.gz ONFCQIYEOZJIGN-MWLCHTKSSA-N 1 0 250.273 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000595808639 349736868 /nfs/dbraw/zinc/73/68/68/349736868.db2.gz ONFCQIYEOZJIGN-ONGXEEELSA-N 1 0 250.273 2.576 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000595766611 349728244 /nfs/dbraw/zinc/72/82/44/349728244.db2.gz XGEAEHBKJFIKMF-CYBMUJFWSA-N 1 0 294.351 2.760 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296040305 290029441 /nfs/dbraw/zinc/02/94/41/290029441.db2.gz NYUTWSQFHMKELA-OUJBWJOFSA-N 1 0 266.366 2.997 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595782249 349731651 /nfs/dbraw/zinc/73/16/51/349731651.db2.gz IGONWBBSAGNHIO-MWLCHTKSSA-N 1 0 267.329 2.902 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)[NH3+] ZINC000595898503 349764344 /nfs/dbraw/zinc/76/43/44/349764344.db2.gz IYAYHAMMQLNSFS-UHFFFAOYSA-N 1 0 295.383 2.551 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835776 349748737 /nfs/dbraw/zinc/74/87/37/349748737.db2.gz VGTWWKIRVGXKST-JHJVBQTASA-N 1 0 276.336 2.624 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCCC1 ZINC000126354684 187234722 /nfs/dbraw/zinc/23/47/22/187234722.db2.gz ZXMHTGSYWSHPGM-LBPRGKRZSA-N 1 0 278.352 2.893 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596118770 349798991 /nfs/dbraw/zinc/79/89/91/349798991.db2.gz FFKGSIPINUMJCE-JTQLQIEISA-N 1 0 269.370 2.718 20 5 CFBDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000269696639 293157896 /nfs/dbraw/zinc/15/78/96/293157896.db2.gz KJUBBIXTWKQZFX-GWCFXTLKSA-N 1 0 264.325 2.670 20 5 CFBDRO C[N@@H+]1CC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413120785 529804971 /nfs/dbraw/zinc/80/49/71/529804971.db2.gz SBQUSOLWRGZGGE-LLVKDONJSA-N 1 0 286.335 2.507 20 5 CFBDRO C[NH+]1CCC2(CCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000596237579 349836678 /nfs/dbraw/zinc/83/66/78/349836678.db2.gz UXFPMOINEUEVHG-UHFFFAOYSA-N 1 0 281.381 2.578 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000295077435 199332810 /nfs/dbraw/zinc/33/28/10/199332810.db2.gz PYIYDJXVBCMCKV-LLVKDONJSA-N 1 0 266.341 2.542 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596307748 349859199 /nfs/dbraw/zinc/85/91/99/349859199.db2.gz ONUHOZVJBBVKAG-NSHDSACASA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000596306807 349858152 /nfs/dbraw/zinc/85/81/52/349858152.db2.gz IGYOVUNUEOIHOW-VIFPVBQESA-N 1 0 269.370 2.941 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000596336735 349869130 /nfs/dbraw/zinc/86/91/30/349869130.db2.gz SIQRDAQFARXDKM-SECBINFHSA-N 1 0 298.774 2.928 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000596337630 349869206 /nfs/dbraw/zinc/86/92/06/349869206.db2.gz YWSOHFJISJGHHV-LBPRGKRZSA-N 1 0 292.383 2.891 20 5 CFBDRO C[N@H+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000174840688 529877662 /nfs/dbraw/zinc/87/76/62/529877662.db2.gz WFBJTLLGGXIGCG-UHFFFAOYSA-N 1 0 280.372 2.694 20 5 CFBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])c(N)c1F)C1CC1 ZINC000413346687 529884388 /nfs/dbraw/zinc/88/43/88/529884388.db2.gz IOCKGHKFULLGHC-UHFFFAOYSA-N 1 0 296.346 2.602 20 5 CFBDRO CCC(=O)c1ccc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596427222 349899751 /nfs/dbraw/zinc/89/97/51/349899751.db2.gz BIFWWCFVFGMKBA-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000596489439 349918263 /nfs/dbraw/zinc/91/82/63/349918263.db2.gz VRYZVFWSGWKBKD-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO CCC[N@@H+]1CC[C@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596518498 349927700 /nfs/dbraw/zinc/92/77/00/349927700.db2.gz VDVKCEBCQNROBA-JTQLQIEISA-N 1 0 269.370 2.861 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccsc1 ZINC000075606773 347086484 /nfs/dbraw/zinc/08/64/84/347086484.db2.gz VTRMMZXDTVTFLK-GFCCVEGCSA-N 1 0 292.364 2.766 20 5 CFBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000295137005 199366056 /nfs/dbraw/zinc/36/60/56/199366056.db2.gz PGWUPMQMINFRTL-HNNXBMFYSA-N 1 0 278.352 2.762 20 5 CFBDRO CC(C)N(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000035677549 346320845 /nfs/dbraw/zinc/32/08/45/346320845.db2.gz QWGKMIRJKSBVBX-UHFFFAOYSA-N 1 0 293.411 2.846 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)C1 ZINC000075717119 347094585 /nfs/dbraw/zinc/09/45/85/347094585.db2.gz AFNHLZQCSLJGLC-QWHCGFSZSA-N 1 0 278.352 2.750 20 5 CFBDRO [NH3+]C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000596647785 349967753 /nfs/dbraw/zinc/96/77/53/349967753.db2.gz BQCZTGCIDCMPQB-HNNXBMFYSA-N 1 0 289.379 2.833 20 5 CFBDRO CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051210215 346501033 /nfs/dbraw/zinc/50/10/33/346501033.db2.gz OQMBRGWUMSPOIJ-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000057148218 346620030 /nfs/dbraw/zinc/62/00/30/346620030.db2.gz YDPMICALDXBTOX-JHJVBQTASA-N 1 0 292.383 2.768 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058563869 346646288 /nfs/dbraw/zinc/64/62/88/346646288.db2.gz CWCJKHSYVFALKB-LLVKDONJSA-N 1 0 264.325 2.704 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000063492941 346702292 /nfs/dbraw/zinc/70/22/92/346702292.db2.gz SFYDUCVQXOJOKT-UHFFFAOYSA-N 1 0 291.351 2.715 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000066810376 346780302 /nfs/dbraw/zinc/78/03/02/346780302.db2.gz RZMXODNEOLAIBE-NWDGAFQWSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000065961758 346745244 /nfs/dbraw/zinc/74/52/44/346745244.db2.gz KYCPZCMEHFSDNP-GFCCVEGCSA-N 1 0 293.367 2.818 20 5 CFBDRO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000076113407 347122563 /nfs/dbraw/zinc/12/25/63/347122563.db2.gz GRHGHWPJGJDMLN-GHMZBOCLSA-N 1 0 292.335 2.549 20 5 CFBDRO CC(C)CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000077211747 347174410 /nfs/dbraw/zinc/17/44/10/347174410.db2.gz QSPPXCNUFKQAQG-UHFFFAOYSA-N 1 0 293.367 2.536 20 5 CFBDRO CC[NH+]1CCC(CCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000078401558 347250104 /nfs/dbraw/zinc/25/01/04/347250104.db2.gz SDVUIQPXYMIAMR-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000078401505 347250401 /nfs/dbraw/zinc/25/04/01/347250401.db2.gz WCRKFUIFDYYKBY-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207728 347449603 /nfs/dbraw/zinc/44/96/03/347449603.db2.gz VLVNFKNYPLRKHE-ZJUUUORDSA-N 1 0 275.308 2.966 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)CC1 ZINC000090799921 347557279 /nfs/dbraw/zinc/55/72/79/347557279.db2.gz CJKSGHISJUEHLO-GRTSSRMGSA-N 1 0 292.379 2.809 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091453359 347586951 /nfs/dbraw/zinc/58/69/51/347586951.db2.gz LHXZAGRWDWHKRH-HNNXBMFYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000091484277 347590171 /nfs/dbraw/zinc/59/01/71/347590171.db2.gz LPKFKKJKCDVSEQ-DOMZBBRYSA-N 1 0 277.368 2.761 20 5 CFBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537969 347552021 /nfs/dbraw/zinc/55/20/21/347552021.db2.gz ZEQDSXOQBCBCJT-KBPBESRZSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1cc(N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000092649639 347636715 /nfs/dbraw/zinc/63/67/15/347636715.db2.gz BYNIXVYVSAGAQE-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[NH+]1CCC(CNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000094357480 347695546 /nfs/dbraw/zinc/69/55/46/347695546.db2.gz XDBSAYLVACMKPQ-UHFFFAOYSA-N 1 0 293.367 2.747 20 5 CFBDRO CCOc1cc(N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000117088546 347790156 /nfs/dbraw/zinc/79/01/56/347790156.db2.gz YGAUURFHBGRARK-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCF)C1CC1 ZINC000126852264 347838033 /nfs/dbraw/zinc/83/80/33/347838033.db2.gz AVBYRDNEYZQDSV-ZDUSSCGKSA-N 1 0 266.316 2.865 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]cn3)CC2)cc1 ZINC000144793595 347942189 /nfs/dbraw/zinc/94/21/89/347942189.db2.gz MFUUUJIIYZBLBT-UHFFFAOYSA-N 1 0 272.308 2.702 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCOCC2)cc1 ZINC000145473639 347943795 /nfs/dbraw/zinc/94/37/95/347943795.db2.gz IXRYKIMWAQGJEF-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000148470097 347950613 /nfs/dbraw/zinc/95/06/13/347950613.db2.gz NJQGFVWMIUJIQM-SECBINFHSA-N 1 0 296.758 2.539 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000157738132 348002517 /nfs/dbraw/zinc/00/25/17/348002517.db2.gz XEKUSXXUBCVJKW-MNOVXSKESA-N 1 0 291.351 2.700 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000517946233 260324162 /nfs/dbraw/zinc/32/41/62/260324162.db2.gz ZOPJBTIEYXCQHE-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO C[C@@](CO)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000169248558 348050852 /nfs/dbraw/zinc/05/08/52/348050852.db2.gz ZHKNOONJEHVKSK-INIZCTEOSA-N 1 0 286.331 2.592 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000215680222 348162996 /nfs/dbraw/zinc/16/29/96/348162996.db2.gz WPTJIVYJSQDRIC-ZDUSSCGKSA-N 1 0 278.352 2.950 20 5 CFBDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000227646272 348189026 /nfs/dbraw/zinc/18/90/26/348189026.db2.gz XXPXLKROVPATGH-XIKARTHZSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000227888147 348191785 /nfs/dbraw/zinc/19/17/85/348191785.db2.gz VTZFWJXPGPJMIK-VIFPVBQESA-N 1 0 297.305 2.769 20 5 CFBDRO CCC[C@H]([NH3+])c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229926683 348203994 /nfs/dbraw/zinc/20/39/94/348203994.db2.gz UGEQCTAUKLXFQZ-VIFPVBQESA-N 1 0 295.730 2.629 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087013935 179379698 /nfs/dbraw/zinc/37/96/98/179379698.db2.gz PRHQPRAVDMPZEA-LLVKDONJSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000245752139 348257435 /nfs/dbraw/zinc/25/74/35/348257435.db2.gz XSFDUCTVOWQLBI-DABQJJPHSA-N 1 0 278.352 2.683 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414120 348295253 /nfs/dbraw/zinc/29/52/53/348295253.db2.gz GXUMFSXYMCVMSA-UKRRQHHQSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417690 348296019 /nfs/dbraw/zinc/29/60/19/348296019.db2.gz SZQWYBAPAKOQDW-GOEBONIOSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CCC2 ZINC000278849774 348339750 /nfs/dbraw/zinc/33/97/50/348339750.db2.gz VMHCLGMMJPYVEI-MIGQKNRLSA-N 1 0 288.347 2.882 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000286116608 348346679 /nfs/dbraw/zinc/34/66/79/348346679.db2.gz NIAQXTVFGHPYCI-SECBINFHSA-N 1 0 294.742 2.865 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000300414648 348368301 /nfs/dbraw/zinc/36/83/01/348368301.db2.gz NTKRCACYHRTBAO-ZBINZKHDSA-N 1 0 276.336 2.813 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000220525828 539620885 /nfs/dbraw/zinc/62/08/85/539620885.db2.gz GIKVYJJVXOKLOM-JTQLQIEISA-N 1 0 291.355 2.613 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293206739 348361610 /nfs/dbraw/zinc/36/16/10/348361610.db2.gz RAMXAAWSNNJLFS-QWHCGFSZSA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000311419872 348412910 /nfs/dbraw/zinc/41/29/10/348412910.db2.gz KLIQVEOAEFQLGM-SNVBAGLBSA-N 1 0 269.320 2.875 20 5 CFBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000314395274 348425313 /nfs/dbraw/zinc/42/53/13/348425313.db2.gz CYUMIFCMKWNUNG-NWDGAFQWSA-N 1 0 293.367 2.806 20 5 CFBDRO COc1cc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1C ZINC000314848368 348428027 /nfs/dbraw/zinc/42/80/27/348428027.db2.gz VHNJOOAFVPLZQB-UHFFFAOYSA-N 1 0 293.367 2.808 20 5 CFBDRO C[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404374367 348591305 /nfs/dbraw/zinc/59/13/05/348591305.db2.gz RRRVQPCWLCNDTA-KOLCDFICSA-N 1 0 298.774 2.597 20 5 CFBDRO CN(c1sccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073627 348770266 /nfs/dbraw/zinc/77/02/66/348770266.db2.gz UTPWNWDHXUPGBP-ZACCUICWSA-N 1 0 281.381 2.718 20 5 CFBDRO COCC[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959304 348806220 /nfs/dbraw/zinc/80/62/20/348806220.db2.gz XTYRBEDIMRRVPC-LLVKDONJSA-N 1 0 291.351 2.633 20 5 CFBDRO CO[C@H](C)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000589189363 348817997 /nfs/dbraw/zinc/81/79/97/348817997.db2.gz SWECOVGWZQCQQQ-YQCJOKCJSA-N 1 0 278.352 2.965 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3sccc3[N+](=O)[O-])C2)C1 ZINC000590141950 348878042 /nfs/dbraw/zinc/87/80/42/348878042.db2.gz VZSGEIQIZIOUIV-ZDUSSCGKSA-N 1 0 281.381 2.578 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000591824001 349048795 /nfs/dbraw/zinc/04/87/95/349048795.db2.gz MJDHSMQIMDJKRP-UHFFFAOYSA-N 1 0 283.397 2.969 20 5 CFBDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000591348676 349010800 /nfs/dbraw/zinc/01/08/00/349010800.db2.gz AKTYYCHVSJGWSA-VBNZEHGJSA-N 1 0 290.363 2.865 20 5 CFBDRO Cc1ccc([C@@H](C)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000591577277 349030954 /nfs/dbraw/zinc/03/09/54/349030954.db2.gz LQRALJWXZITXEZ-CYBMUJFWSA-N 1 0 279.384 2.942 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3=CCCC3)C2)nc1 ZINC000592079996 349080785 /nfs/dbraw/zinc/08/07/85/349080785.db2.gz KBEBUXSJSSZVPD-ZDUSSCGKSA-N 1 0 288.351 2.586 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000592134191 349088948 /nfs/dbraw/zinc/08/89/48/349088948.db2.gz JJULIIMSSDYLJQ-ZBFHGGJFSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000592134190 349089062 /nfs/dbraw/zinc/08/90/62/349089062.db2.gz JJULIIMSSDYLJQ-HOCLYGCPSA-N 1 0 290.363 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000592140024 349090129 /nfs/dbraw/zinc/09/01/29/349090129.db2.gz UPJIAOBYPSNYEF-HNNXBMFYSA-N 1 0 283.331 2.979 20 5 CFBDRO C[C@H]1CC2(C[N@@H+]1Cc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592181549 349095878 /nfs/dbraw/zinc/09/58/78/349095878.db2.gz HROSEUFJXYLSRF-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592427649 349118396 /nfs/dbraw/zinc/11/83/96/349118396.db2.gz MLGZFDXMHXKGJF-RLWBPUTGSA-N 1 0 289.379 2.667 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592438321 349119589 /nfs/dbraw/zinc/11/95/89/349119589.db2.gz KLTUEGCZSKJKCA-HNNXBMFYSA-N 1 0 289.379 2.668 20 5 CFBDRO CC1([NH3+])CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592484395 349127034 /nfs/dbraw/zinc/12/70/34/349127034.db2.gz AFSSXDQDEXXWQW-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592520350 349131866 /nfs/dbraw/zinc/13/18/66/349131866.db2.gz LJSNDRMABSHSRH-HNNXBMFYSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1cncc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000593017904 349187820 /nfs/dbraw/zinc/18/78/20/349187820.db2.gz DHKYHOIYUNSSDG-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000593027609 349189655 /nfs/dbraw/zinc/18/96/55/349189655.db2.gz SUWNLCRNGKBWIC-GXFFZTMASA-N 1 0 292.335 2.660 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414251100 233206173 /nfs/dbraw/zinc/20/61/73/233206173.db2.gz GVGPCNURPBXEOC-CXTNEJHOSA-N 1 0 292.379 2.929 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593114408 349212283 /nfs/dbraw/zinc/21/22/83/349212283.db2.gz ALCPYHBSAPQDOO-LBPRGKRZSA-N 1 0 268.263 2.826 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000593050137 349193851 /nfs/dbraw/zinc/19/38/51/349193851.db2.gz CANLPBHILKMCGW-GWCFXTLKSA-N 1 0 284.331 2.621 20 5 CFBDRO CC(C)O[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593056110 349195864 /nfs/dbraw/zinc/19/58/64/349195864.db2.gz YCNMCYMCIBJEIH-OAHLLOKOSA-N 1 0 278.352 2.984 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC000593067736 349200196 /nfs/dbraw/zinc/20/01/96/349200196.db2.gz JYYBYTDRGCKGTO-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1c(C[NH+]2CCC([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000593080916 349203822 /nfs/dbraw/zinc/20/38/22/349203822.db2.gz BXBLNEZLBYIXAD-GFCCVEGCSA-N 1 0 292.379 2.744 20 5 CFBDRO C[C@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000593082821 349203860 /nfs/dbraw/zinc/20/38/60/349203860.db2.gz IIYOJEDAOVGPLY-LLVKDONJSA-N 1 0 296.342 2.574 20 5 CFBDRO C[NH+](C)C(C)(C)CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593458829 349274904 /nfs/dbraw/zinc/27/49/04/349274904.db2.gz OSPCPYLFCUYVTH-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000593682509 349309302 /nfs/dbraw/zinc/30/93/02/349309302.db2.gz QXQCUUBAQBEUQL-SNVBAGLBSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593718997 349314434 /nfs/dbraw/zinc/31/44/34/349314434.db2.gz SOEDGHPJYRXXJR-LBPRGKRZSA-N 1 0 278.352 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)CCF)CCCC2 ZINC000593718391 349314547 /nfs/dbraw/zinc/31/45/47/349314547.db2.gz GBZKKTGOLKRPCR-IUODEOHRSA-N 1 0 296.342 2.672 20 5 CFBDRO C[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593735027 349316446 /nfs/dbraw/zinc/31/64/46/349316446.db2.gz UUJSRELNPVMUJZ-SMDDNHRTSA-N 1 0 295.358 2.683 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CCOC ZINC000414479900 233263691 /nfs/dbraw/zinc/26/36/91/233263691.db2.gz JAPUGZGVANCDBK-GFCCVEGCSA-N 1 0 296.367 2.756 20 5 CFBDRO COCC1(C2CCC2)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000597190584 350049038 /nfs/dbraw/zinc/04/90/38/350049038.db2.gz DYNJUUKAYLKIRR-UHFFFAOYSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597209438 350056742 /nfs/dbraw/zinc/05/67/42/350056742.db2.gz BKUBPYHNHSXXLB-XJKSGUPXSA-N 1 0 290.363 2.675 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414498068 233272321 /nfs/dbraw/zinc/27/23/21/233272321.db2.gz HEOFYVLTTIGWEX-JQWIXIFHSA-N 1 0 296.392 2.977 20 5 CFBDRO COCC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000414508946 233276590 /nfs/dbraw/zinc/27/65/90/233276590.db2.gz DNUOAUYYEFWHEZ-UHFFFAOYSA-N 1 0 284.381 2.951 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414598068 233299846 /nfs/dbraw/zinc/29/98/46/233299846.db2.gz XQNDDGGAQWNWQV-NXEZZACHSA-N 1 0 264.306 2.895 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000104685959 186013578 /nfs/dbraw/zinc/01/35/78/186013578.db2.gz FKHGFLOMDAEQSH-JTQLQIEISA-N 1 0 252.314 2.834 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000104688501 186014129 /nfs/dbraw/zinc/01/41/29/186014129.db2.gz XNMALSQAHBTYDB-NSHDSACASA-N 1 0 252.314 2.704 20 5 CFBDRO Cc1ccc(NC(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000414660916 233317495 /nfs/dbraw/zinc/31/74/95/233317495.db2.gz OVVXGYDZYFZERQ-LLVKDONJSA-N 1 0 294.355 2.542 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000271309174 191064606 /nfs/dbraw/zinc/06/46/06/191064606.db2.gz LYIJZQHYKFYEJH-JSGCOSHPSA-N 1 0 277.368 2.822 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000091772436 180249092 /nfs/dbraw/zinc/24/90/92/180249092.db2.gz NAZLSBJSHLGXLR-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]([NH3+])c1ccccc1 ZINC000414828029 233369418 /nfs/dbraw/zinc/36/94/18/233369418.db2.gz IGAPIZMRWGLJMD-MRXNPFEDSA-N 1 0 285.347 2.693 20 5 CFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105443327 186057316 /nfs/dbraw/zinc/05/73/16/186057316.db2.gz KQNQQLAEJIUXJW-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000105448063 186058395 /nfs/dbraw/zinc/05/83/95/186058395.db2.gz YTVURIPNRPVFFX-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO CC1CC(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598648458 350302628 /nfs/dbraw/zinc/30/26/28/350302628.db2.gz SJABGCPYZHUYBE-UHFFFAOYSA-N 1 0 292.335 2.502 20 5 CFBDRO CC(C)CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598990285 350355598 /nfs/dbraw/zinc/35/55/98/350355598.db2.gz CDAHODFKDKMZRX-ZKKXHLJNSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599007625 350357969 /nfs/dbraw/zinc/35/79/69/350357969.db2.gz RFSSTFCKEUABSH-WGFVLNOWSA-N 1 0 288.347 2.765 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599007623 350358037 /nfs/dbraw/zinc/35/80/37/350358037.db2.gz RFSSTFCKEUABSH-ICGFCLIJSA-N 1 0 288.347 2.765 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000599006319 350358231 /nfs/dbraw/zinc/35/82/31/350358231.db2.gz GXEHMLHKNKGJRH-ZFWWWQNUSA-N 1 0 276.336 2.560 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599072982 350370544 /nfs/dbraw/zinc/37/05/44/350370544.db2.gz NDDIMGMXUCYPCH-KMUNFCNLSA-N 1 0 294.351 2.822 20 5 CFBDRO C/C=C/CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078738 350371560 /nfs/dbraw/zinc/37/15/60/350371560.db2.gz DTJNBIQNILXYFG-XGACYXMMSA-N 1 0 286.335 2.583 20 5 CFBDRO C/C=C/C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599081406 350372355 /nfs/dbraw/zinc/37/23/55/350372355.db2.gz KJOLINRANGEYJB-YEZKRMTDSA-N 1 0 250.298 2.830 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599091246 350374347 /nfs/dbraw/zinc/37/43/47/350374347.db2.gz ISGSGRWSOBPWSY-BZPMIXESSA-N 1 0 278.352 2.979 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000599139843 350382978 /nfs/dbraw/zinc/38/29/78/350382978.db2.gz QYYJENVZDIRIKV-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO Cc1cc(N2CC3(C2)CCCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599144356 350384281 /nfs/dbraw/zinc/38/42/81/350384281.db2.gz DDVKAFBNYLLIFU-UHFFFAOYSA-N 1 0 299.330 2.821 20 5 CFBDRO Cc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253555 180352791 /nfs/dbraw/zinc/35/27/91/180352791.db2.gz KANGDGJFIHQITL-HNNXBMFYSA-N 1 0 291.395 2.677 20 5 CFBDRO CCC(O)(CC)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000599683606 350482300 /nfs/dbraw/zinc/48/23/00/350482300.db2.gz WXDVBQUVYXBSRL-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600708218 350598104 /nfs/dbraw/zinc/59/81/04/350598104.db2.gz KBZQKPCKDMLCMO-IUODEOHRSA-N 1 0 289.379 2.838 20 5 CFBDRO Cc1ccc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708809 350599401 /nfs/dbraw/zinc/59/94/01/350599401.db2.gz GODQZAQZYZOPAM-DYEKYZERSA-N 1 0 277.368 2.694 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109544239 186260940 /nfs/dbraw/zinc/26/09/40/186260940.db2.gz OJSJJBNFRPQCBX-DGCLKSJQSA-N 1 0 264.325 2.733 20 5 CFBDRO CC[NH2+]Cc1cccc(-c2cc([N+](=O)[O-])ccc2CO)c1 ZINC000600781618 350610869 /nfs/dbraw/zinc/61/08/69/350610869.db2.gz FUSBJGKENGSEMN-UHFFFAOYSA-N 1 0 286.331 2.864 20 5 CFBDRO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788714 350612021 /nfs/dbraw/zinc/61/20/21/350612021.db2.gz MUTMDZGCPGEIBF-MEDUHNTESA-N 1 0 299.330 2.706 20 5 CFBDRO CC[NH+](CC)CCSc1ncc(F)cc1[N+](=O)[O-] ZINC000601119612 350673936 /nfs/dbraw/zinc/67/39/36/350673936.db2.gz COFZEYZCTZZHEB-UHFFFAOYSA-N 1 0 273.333 2.563 20 5 CFBDRO C[C@@H]([NH3+])C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000110651097 186311291 /nfs/dbraw/zinc/31/12/91/186311291.db2.gz OAOJOKBTSKKCBF-SNVBAGLBSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NCCC[NH2+]C1CCCCC1 ZINC000601102813 350668406 /nfs/dbraw/zinc/66/84/06/350668406.db2.gz GBTDAXMFWDSOFR-UHFFFAOYSA-N 1 0 296.346 2.853 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000601149478 350682068 /nfs/dbraw/zinc/68/20/68/350682068.db2.gz MKLGOYLRXVXTKD-JTNHKYCSSA-N 1 0 294.351 2.649 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000601154712 350683772 /nfs/dbraw/zinc/68/37/72/350683772.db2.gz UGHCGJPXZHIOTE-LBPRGKRZSA-N 1 0 294.330 2.558 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](C2CCC2)CC1 ZINC000601170887 350687985 /nfs/dbraw/zinc/68/79/85/350687985.db2.gz FXTHDCVIRPCTGC-UHFFFAOYSA-N 1 0 294.330 2.558 20 5 CFBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000601288638 350717707 /nfs/dbraw/zinc/71/77/07/350717707.db2.gz ACZAJBBDRISYQD-WCQYABFASA-N 1 0 266.341 2.797 20 5 CFBDRO CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298789 350719059 /nfs/dbraw/zinc/71/90/59/350719059.db2.gz LMGIWPLEYBQZID-NWDGAFQWSA-N 1 0 288.294 2.652 20 5 CFBDRO CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298788 350719265 /nfs/dbraw/zinc/71/92/65/350719265.db2.gz LMGIWPLEYBQZID-NEPJUHHUSA-N 1 0 288.294 2.652 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601301128 350719698 /nfs/dbraw/zinc/71/96/98/350719698.db2.gz RRRSRCRWRYWIAL-DKCNOQQISA-N 1 0 292.257 2.557 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCn2nccc21 ZINC000601320658 350723742 /nfs/dbraw/zinc/72/37/42/350723742.db2.gz IIHLCWZNFQBWOR-KGLIPLIRSA-N 1 0 298.346 2.903 20 5 CFBDRO [NH3+][C@H]1CCCCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601324507 350723770 /nfs/dbraw/zinc/72/37/70/350723770.db2.gz PDLXHGSBBRRHHX-ZDUSSCGKSA-N 1 0 297.786 2.952 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111297332 186392067 /nfs/dbraw/zinc/39/20/67/186392067.db2.gz OMURRYQRHYQMGE-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602485004 350902549 /nfs/dbraw/zinc/90/25/49/350902549.db2.gz LZUQQIAAPYBTFA-AAEUAGOBSA-N 1 0 280.372 2.729 20 5 CFBDRO O=[N+]([O-])c1sc(C[NH2+]C2CC2)cc1Br ZINC000602501094 350906305 /nfs/dbraw/zinc/90/63/05/350906305.db2.gz DJGZKNAXRQZWLI-UHFFFAOYSA-N 1 0 277.143 2.671 20 5 CFBDRO C[C@H]([NH2+]C1CC(n2cccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000602519139 350912976 /nfs/dbraw/zinc/91/29/76/350912976.db2.gz WHXWQYGBBNSKGV-ZOODHJKOSA-N 1 0 286.335 2.846 20 5 CFBDRO CCOC1CC(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000602531712 350915732 /nfs/dbraw/zinc/91/57/32/350915732.db2.gz ZQOGSDZYYAUZAF-UHFFFAOYSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000602538319 350917800 /nfs/dbraw/zinc/91/78/00/350917800.db2.gz DZVFBDGWEGAPGZ-SKDRFNHKSA-N 1 0 286.278 2.607 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602547321 350920085 /nfs/dbraw/zinc/92/00/85/350920085.db2.gz WWWBHUIOAAJFMF-SWLSCSKDSA-N 1 0 280.368 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3CC3)nc2c1 ZINC000602564583 350926561 /nfs/dbraw/zinc/92/65/61/350926561.db2.gz UPAUKAGMXKKPFE-UHFFFAOYSA-N 1 0 261.281 2.626 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCSC3)nc2c1 ZINC000602564545 350926708 /nfs/dbraw/zinc/92/67/08/350926708.db2.gz AMNJKPZTJQUTDQ-VIFPVBQESA-N 1 0 293.348 2.721 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCS3)nc2c1 ZINC000602570112 350928486 /nfs/dbraw/zinc/92/84/86/350928486.db2.gz UKEULERMYDQGRZ-JTQLQIEISA-N 1 0 293.348 2.721 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000602580481 350932388 /nfs/dbraw/zinc/93/23/88/350932388.db2.gz NLTNPTPKARYTQO-BTTYYORXSA-N 1 0 260.337 2.773 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000602581617 350933290 /nfs/dbraw/zinc/93/32/90/350933290.db2.gz WXELQPSRFVXIJP-OAHLLOKOSA-N 1 0 280.368 2.788 20 5 CFBDRO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602441340 350883548 /nfs/dbraw/zinc/88/35/48/350883548.db2.gz CMCKAVUICRATMW-FZMZJTMJSA-N 1 0 293.367 2.536 20 5 CFBDRO Cn1cc(C[N@@H+]2CCCC3(CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602476036 350896847 /nfs/dbraw/zinc/89/68/47/350896847.db2.gz VDNVVHOPPKUIIH-UHFFFAOYSA-N 1 0 292.383 2.875 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCSC3)nc2c1 ZINC000602643116 350959053 /nfs/dbraw/zinc/95/90/53/350959053.db2.gz IJRRIPPURXUDNB-SECBINFHSA-N 1 0 293.348 2.579 20 5 CFBDRO CO[C@@](C)(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602659533 350964446 /nfs/dbraw/zinc/96/44/46/350964446.db2.gz SEBRMGVLTGHIAM-INIZCTEOSA-N 1 0 292.379 2.884 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000602691858 350981768 /nfs/dbraw/zinc/98/17/68/350981768.db2.gz URUUVSXDYKCUOG-LSDHHAIUSA-N 1 0 280.368 2.522 20 5 CFBDRO CC[C@@H](C)[C@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771246 351019392 /nfs/dbraw/zinc/01/93/92/351019392.db2.gz AUTBTXDSIDNZTP-NEPJUHHUSA-N 1 0 294.399 2.999 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000602777000 351021150 /nfs/dbraw/zinc/02/11/50/351021150.db2.gz HSTCIGCBYXBXBI-CQSZACIVSA-N 1 0 286.335 2.547 20 5 CFBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795711 351027927 /nfs/dbraw/zinc/02/79/27/351027927.db2.gz NEPJGUOAFMFHDY-ZDUSSCGKSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1cccc(C(C)(C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602798332 351029145 /nfs/dbraw/zinc/02/91/45/351029145.db2.gz BPESUFBYYWINSL-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000602802610 351031832 /nfs/dbraw/zinc/03/18/32/351031832.db2.gz RJMKEXVPBQHOPX-AWEZNQCLSA-N 1 0 288.351 2.878 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCCC1(C)C ZINC000602813749 351036088 /nfs/dbraw/zinc/03/60/88/351036088.db2.gz XSOHVAKVWRYUDY-GFCCVEGCSA-N 1 0 280.372 2.658 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000602832468 351039883 /nfs/dbraw/zinc/03/98/83/351039883.db2.gz MVTGPTRHNQZFLK-STQMWFEESA-N 1 0 292.383 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](C1CCC1)C1CCC1 ZINC000602840331 351042087 /nfs/dbraw/zinc/04/20/87/351042087.db2.gz MOGKWRFGSSWCRG-UHFFFAOYSA-N 1 0 278.356 2.507 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000602845613 351044151 /nfs/dbraw/zinc/04/41/51/351044151.db2.gz LGYBYNLPMUHWFF-AWEZNQCLSA-N 1 0 292.383 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000602902646 351061415 /nfs/dbraw/zinc/06/14/15/351061415.db2.gz KBNBVVPKSXMGLM-CQSZACIVSA-N 1 0 292.383 2.612 20 5 CFBDRO CCC[C@@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218963 351120185 /nfs/dbraw/zinc/12/01/85/351120185.db2.gz OQTLHKMQEAUPIE-CMPLNLGQSA-N 1 0 289.339 2.596 20 5 CFBDRO C[C@](CO)([NH2+][C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965910 351073317 /nfs/dbraw/zinc/07/33/17/351073317.db2.gz RBCFIJUKCJNVLC-DZGCQCFKSA-N 1 0 276.336 2.501 20 5 CFBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000603028175 351091715 /nfs/dbraw/zinc/09/17/15/351091715.db2.gz AITAHWQCCXQIPY-OAHLLOKOSA-N 1 0 292.383 2.836 20 5 CFBDRO CC[C@@H]([NH3+])c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248411 351125206 /nfs/dbraw/zinc/12/52/06/351125206.db2.gz CLHFJNQSHRUAQV-ZWNOBZJWSA-N 1 0 289.339 2.514 20 5 CFBDRO CC(C)[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603846035 351185724 /nfs/dbraw/zinc/18/57/24/351185724.db2.gz WVMQITWFCUJBRP-ZDUSSCGKSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000604495110 351215364 /nfs/dbraw/zinc/21/53/64/351215364.db2.gz PJARYNFGGATLOY-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO CCC[NH+]1CCC(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000604531518 351217010 /nfs/dbraw/zinc/21/70/10/351217010.db2.gz LGHXFJYYPHLLJZ-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO CC(C)[NH2+][C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609385954 351500426 /nfs/dbraw/zinc/50/04/26/351500426.db2.gz IGMCDDBXOYVZCT-OAHLLOKOSA-N 1 0 291.395 2.600 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000609891969 351526447 /nfs/dbraw/zinc/52/64/47/351526447.db2.gz VCXIUTMICLLGQJ-JTQLQIEISA-N 1 0 298.774 2.610 20 5 CFBDRO CC[NH+]1CCC(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000610281882 351549476 /nfs/dbraw/zinc/54/94/76/351549476.db2.gz YWBOMDQSNIWOBR-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[NH+](C)[C@@]1(CNc2ccsc2[N+](=O)[O-])CCSC1 ZINC000610489076 351569655 /nfs/dbraw/zinc/56/96/55/351569655.db2.gz CTPZQKVPYKMBQV-LLVKDONJSA-N 1 0 287.410 2.506 20 5 CFBDRO CC[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000119821251 186853877 /nfs/dbraw/zinc/85/38/77/186853877.db2.gz FIXSLCIBPDKUNQ-GHMZBOCLSA-N 1 0 279.340 2.700 20 5 CFBDRO C[C@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000610602857 351585728 /nfs/dbraw/zinc/58/57/28/351585728.db2.gz NWIKLMBARJTOMU-STQMWFEESA-N 1 0 278.352 2.952 20 5 CFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000610660772 351588951 /nfs/dbraw/zinc/58/89/51/351588951.db2.gz CPGFVJWFOKHINU-UHFFFAOYSA-N 1 0 280.372 2.754 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000610664847 351590147 /nfs/dbraw/zinc/59/01/47/351590147.db2.gz AVWJCGBECLVGPE-NQBHXWOUSA-N 1 0 280.372 2.514 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCCC1 ZINC000610797328 351609810 /nfs/dbraw/zinc/60/98/10/351609810.db2.gz UONBVMLESRMJSN-CYBMUJFWSA-N 1 0 277.368 2.650 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(C)COC1 ZINC000610367472 351559936 /nfs/dbraw/zinc/55/99/36/351559936.db2.gz POBMYBXTWBPQDS-NSHDSACASA-N 1 0 264.325 2.624 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000611083771 351639106 /nfs/dbraw/zinc/63/91/06/351639106.db2.gz LOHQJDMWCZIYCC-CYBMUJFWSA-N 1 0 275.352 2.799 20 5 CFBDRO CC[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084670 351639348 /nfs/dbraw/zinc/63/93/48/351639348.db2.gz IQDVOUBFZPVQLO-SNVBAGLBSA-N 1 0 283.759 2.779 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108223 351641230 /nfs/dbraw/zinc/64/12/30/351641230.db2.gz IHBWHINXTRXYBF-CQSZACIVSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000611168386 351646947 /nfs/dbraw/zinc/64/69/47/351646947.db2.gz JTBQVDRWKDWYRG-LDAMZSCKSA-N 1 0 288.347 2.765 20 5 CFBDRO CCN1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000611222069 351652561 /nfs/dbraw/zinc/65/25/61/351652561.db2.gz WNUYNDIPNRRCQN-VHSXEESVSA-N 1 0 298.774 2.562 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1=CCCOC1 ZINC000611252950 351658226 /nfs/dbraw/zinc/65/82/26/351658226.db2.gz PVPDBYPDYBHRIJ-GFCCVEGCSA-N 1 0 276.336 2.934 20 5 CFBDRO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611254713 351659242 /nfs/dbraw/zinc/65/92/42/351659242.db2.gz MGTGJTDHISVBFO-UHFFFAOYSA-N 1 0 294.351 2.844 20 5 CFBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256594 351659284 /nfs/dbraw/zinc/65/92/84/351659284.db2.gz ILEHAXNFQQAFQK-VSKVDJIOSA-N 1 0 290.363 2.966 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000611411725 351685246 /nfs/dbraw/zinc/68/52/46/351685246.db2.gz WMUBORYFYRCBRU-NXEZZACHSA-N 1 0 267.354 2.695 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000611413135 351685896 /nfs/dbraw/zinc/68/58/96/351685896.db2.gz UEHYNJVQJGOIBX-BDAKNGLRSA-N 1 0 255.343 2.551 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412135 351685916 /nfs/dbraw/zinc/68/59/16/351685916.db2.gz IHDQKZYTSBXGAX-JTQLQIEISA-N 1 0 269.370 2.623 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CO)CCCCC1 ZINC000611461724 351692665 /nfs/dbraw/zinc/69/26/65/351692665.db2.gz UMEDWRACHOPRPN-SOFGYWHQSA-N 1 0 290.363 2.893 20 5 CFBDRO CCOc1cc(N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000611297741 351665501 /nfs/dbraw/zinc/66/55/01/351665501.db2.gz GQHMGXGAYCZUAB-ZDUSSCGKSA-N 1 0 293.367 2.524 20 5 CFBDRO CCC1(O)CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000611314661 351668126 /nfs/dbraw/zinc/66/81/26/351668126.db2.gz ZIAGDRJBBYJJIN-UHFFFAOYSA-N 1 0 278.352 2.768 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616644 351714230 /nfs/dbraw/zinc/71/42/30/351714230.db2.gz IWYWXPRWTAFPOK-ZDUSSCGKSA-N 1 0 292.383 2.750 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCOC[C@@H]1C ZINC000612578538 351837990 /nfs/dbraw/zinc/83/79/90/351837990.db2.gz RHDOQRNDOCPAIU-LBPRGKRZSA-N 1 0 264.325 2.514 20 5 CFBDRO C[N@H+]1CC=C(CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291773265 198088006 /nfs/dbraw/zinc/08/80/06/198088006.db2.gz BYIWXSDHANWWTP-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO Cn1cccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291750033 198080031 /nfs/dbraw/zinc/08/00/31/198080031.db2.gz QBYFCLKQTWSSDI-UHFFFAOYSA-N 1 0 273.336 2.958 20 5 CFBDRO COCC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000291753886 198080858 /nfs/dbraw/zinc/08/08/58/198080858.db2.gz QLXALLOPIPFSBE-UHFFFAOYSA-N 1 0 266.341 2.665 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000122922499 187059883 /nfs/dbraw/zinc/05/98/83/187059883.db2.gz IBQOYLKLUNSXCG-LBPRGKRZSA-N 1 0 263.341 2.798 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000123304198 187083621 /nfs/dbraw/zinc/08/36/21/187083621.db2.gz JTMANHBMLYFYSI-JTQLQIEISA-N 1 0 269.370 2.800 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000123627325 187101842 /nfs/dbraw/zinc/10/18/42/187101842.db2.gz WKIMMOCIHAGJDJ-SWLSCSKDSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000123647029 187102649 /nfs/dbraw/zinc/10/26/49/187102649.db2.gz PITRVCGIEHDVFE-AAEUAGOBSA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000123655172 187103049 /nfs/dbraw/zinc/10/30/49/187103049.db2.gz PFVRYEKOFMSRIN-JSGCOSHPSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000123846419 187111815 /nfs/dbraw/zinc/11/18/15/187111815.db2.gz XSBKERYZVIFMBD-JSGCOSHPSA-N 1 0 278.352 2.720 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123899238 187113837 /nfs/dbraw/zinc/11/38/37/187113837.db2.gz BTLNOUZVBIQUIP-ZIAGYGMSSA-N 1 0 266.341 2.652 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCN(C)C1 ZINC000615720612 352236403 /nfs/dbraw/zinc/23/64/03/352236403.db2.gz YADBFPSFYPAHMO-BMQCOBNYSA-N 1 0 289.379 2.682 20 5 CFBDRO Cc1nc(NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000132609061 187637294 /nfs/dbraw/zinc/63/72/94/187637294.db2.gz NFUJBWILPBFPAX-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])s2)CCCO1 ZINC000617843270 352656627 /nfs/dbraw/zinc/65/66/27/352656627.db2.gz UZFWOUBNNLPERD-LLVKDONJSA-N 1 0 299.396 2.569 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000618566848 352810945 /nfs/dbraw/zinc/81/09/45/352810945.db2.gz HVWKJTCKGMZKSA-KWCYVHTRSA-N 1 0 292.383 2.911 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(C(F)F)C3)nc2c1 ZINC000618618919 352839875 /nfs/dbraw/zinc/83/98/75/352839875.db2.gz QZPFWCDTDRTGTI-UHFFFAOYSA-N 1 0 296.277 2.604 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CC2(CO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618984885 352926867 /nfs/dbraw/zinc/92/68/67/352926867.db2.gz JTSDHEOIFKRLRF-AWEZNQCLSA-N 1 0 290.363 2.679 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292223298 198207439 /nfs/dbraw/zinc/20/74/39/198207439.db2.gz VCAGBJAGRMBNFI-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@H]1CC[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000292221056 198207465 /nfs/dbraw/zinc/20/74/65/198207465.db2.gz VADZVGXSAZESAW-RYUDHWBXSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000148802146 187918789 /nfs/dbraw/zinc/91/87/89/187918789.db2.gz ODTHMJQVRGAMSD-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO COc1ccc(C[NH+]2CC(C(C)C)C2)cc1[N+](=O)[O-] ZINC000619431193 353022279 /nfs/dbraw/zinc/02/22/79/353022279.db2.gz ZPKQMXIMHOMKSW-UHFFFAOYSA-N 1 0 264.325 2.691 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292257076 198220696 /nfs/dbraw/zinc/22/06/96/198220696.db2.gz YFRPRVUXVXWYBG-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO Cc1ccnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000619785258 353066650 /nfs/dbraw/zinc/06/66/50/353066650.db2.gz SZXKEZZPGRYOBB-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO Cc1cc(C)n(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000271658748 191264395 /nfs/dbraw/zinc/26/43/95/191264395.db2.gz KQQPCFKARPBBCZ-CYBMUJFWSA-N 1 0 288.351 2.759 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000153101933 188065122 /nfs/dbraw/zinc/06/51/22/188065122.db2.gz OTPWFBCTHVOKTI-VXGBXAGGSA-N 1 0 264.325 2.733 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000153134124 188067162 /nfs/dbraw/zinc/06/71/62/188067162.db2.gz XDGWGETXWXXSSY-DEEPSNCUSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000154431101 188142498 /nfs/dbraw/zinc/14/24/98/188142498.db2.gz FPBKVCQVZQQKGB-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000154611780 188153292 /nfs/dbraw/zinc/15/32/92/188153292.db2.gz BZJIYJNRQLQJKB-IUODEOHRSA-N 1 0 280.368 2.667 20 5 CFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000157464609 188319099 /nfs/dbraw/zinc/31/90/99/188319099.db2.gz HHIAWIUWKPJTSP-HNNXBMFYSA-N 1 0 288.351 2.778 20 5 CFBDRO CO[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293669436 198725423 /nfs/dbraw/zinc/72/54/23/198725423.db2.gz JINCZVNWPPQWIU-MLGOLLRUSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1nnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000273596195 192223170 /nfs/dbraw/zinc/22/31/70/192223170.db2.gz KFPUJCXGRBCZEB-SECBINFHSA-N 1 0 292.364 2.648 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294551152 199082099 /nfs/dbraw/zinc/08/20/99/199082099.db2.gz AWWYTHSPRDAIIB-LBPRGKRZSA-N 1 0 284.743 2.905 20 5 CFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294692437 199137250 /nfs/dbraw/zinc/13/72/50/199137250.db2.gz AFDZNBVNNYOTCD-AWEZNQCLSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H]([NH2+]CCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000296512344 199916129 /nfs/dbraw/zinc/91/61/29/199916129.db2.gz PMPMWLBVJZLKRG-NSHDSACASA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296645245 199957182 /nfs/dbraw/zinc/95/71/82/199957182.db2.gz YKHURAAJNZHZCH-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[C@H](CNc1nc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000178171383 189095243 /nfs/dbraw/zinc/09/52/43/189095243.db2.gz QSFCUYICUNJIHQ-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000178431181 189115895 /nfs/dbraw/zinc/11/58/95/189115895.db2.gz UHQBWRQKSDQHKB-UONOGXRCSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299214378 200639739 /nfs/dbraw/zinc/63/97/39/200639739.db2.gz GCHBKVFPNWCQGP-QJPTWQEYSA-N 1 0 293.367 2.946 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000179421199 189193345 /nfs/dbraw/zinc/19/33/45/189193345.db2.gz TVJKYNYAFAJLLW-WCQYABFASA-N 1 0 294.351 2.823 20 5 CFBDRO Cc1nc(NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000301623795 201102242 /nfs/dbraw/zinc/10/22/42/201102242.db2.gz GLWKCWZYXCDLEV-UHFFFAOYSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCO1 ZINC000183253423 189352230 /nfs/dbraw/zinc/35/22/30/189352230.db2.gz ZWZJPQRKZBFTGY-CQSZACIVSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301661837 201122304 /nfs/dbraw/zinc/12/23/04/201122304.db2.gz MXAJCEXQBBLMBN-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301662015 201122705 /nfs/dbraw/zinc/12/27/05/201122705.db2.gz UVMOJBRJBXWGKL-RYUDHWBXSA-N 1 0 292.383 2.831 20 5 CFBDRO CCOCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183304105 189353692 /nfs/dbraw/zinc/35/36/92/189353692.db2.gz XDUPPAXGXKYQSU-UHFFFAOYSA-N 1 0 266.341 2.762 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC000183342606 189355859 /nfs/dbraw/zinc/35/58/59/189355859.db2.gz YEDMJRLHDMVOLB-OLZOCXBDSA-N 1 0 288.351 2.573 20 5 CFBDRO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183717503 189366555 /nfs/dbraw/zinc/36/65/55/189366555.db2.gz GEPYQBKLNAYGGR-STQMWFEESA-N 1 0 288.351 2.921 20 5 CFBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301984281 201286612 /nfs/dbraw/zinc/28/66/12/201286612.db2.gz CCXVVTAUWAMDGI-UHFFFAOYSA-N 1 0 288.351 2.531 20 5 CFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190219730 189557909 /nfs/dbraw/zinc/55/79/09/189557909.db2.gz FKDLHVAHHFTPTL-MRXNPFEDSA-N 1 0 292.379 2.888 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000190974752 189579346 /nfs/dbraw/zinc/57/93/46/189579346.db2.gz LODZXJBYMTUHEZ-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435230159 240293853 /nfs/dbraw/zinc/29/38/53/240293853.db2.gz OEZIBLOSLVILDT-ZDUSSCGKSA-N 1 0 295.770 2.575 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275433300 193035031 /nfs/dbraw/zinc/03/50/31/193035031.db2.gz JIYWMOWWESPSBL-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275483045 193054996 /nfs/dbraw/zinc/05/49/96/193054996.db2.gz OMNVHCKGWVTQNO-BXUZGUMPSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1cnc(NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443956615 241098634 /nfs/dbraw/zinc/09/86/34/241098634.db2.gz JGHOGSJTGMVKEO-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449509754 241990265 /nfs/dbraw/zinc/99/02/65/241990265.db2.gz PBZMEQDAWXKKOV-CVEARBPZSA-N 1 0 294.395 2.974 20 5 CFBDRO CCc1ncc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000449607677 242060923 /nfs/dbraw/zinc/06/09/23/242060923.db2.gz CAOVCCFGHVMISI-FNORWQNLSA-N 1 0 287.319 2.948 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449544469 242016781 /nfs/dbraw/zinc/01/67/81/242016781.db2.gz QQFIXAKBINTEQM-SCRDCRAPSA-N 1 0 280.368 2.665 20 5 CFBDRO COCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449741412 242130897 /nfs/dbraw/zinc/13/08/97/242130897.db2.gz UFNYUKHYJZGMHQ-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449760359 242141481 /nfs/dbraw/zinc/14/14/81/242141481.db2.gz NYISFNZFYCWLKB-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNCc1ccccc1[N+](=O)[O-] ZINC000449784482 242162907 /nfs/dbraw/zinc/16/29/07/242162907.db2.gz XIMSURGKQBFWBR-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[N@H+](CCNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000450276095 242336932 /nfs/dbraw/zinc/33/69/32/242336932.db2.gz NZZCEJDUSSBPNZ-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450223658 242314924 /nfs/dbraw/zinc/31/49/24/242314924.db2.gz OMJBVBJDQPEKRJ-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000452035203 243018850 /nfs/dbraw/zinc/01/88/50/243018850.db2.gz GLKCTMBGXCTQEM-CQSZACIVSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295273993 299389031 /nfs/dbraw/zinc/38/90/31/299389031.db2.gz SFMPGOQGIOQKHZ-GXFFZTMASA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191827110 299390622 /nfs/dbraw/zinc/39/06/22/299390622.db2.gz PVJAUIXTAWBKHO-COPLHBTASA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000277697069 299390508 /nfs/dbraw/zinc/39/05/08/299390508.db2.gz HWNLDXFPUMIJMN-COPLHBTASA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@H]1C[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000330614984 203041532 /nfs/dbraw/zinc/04/15/32/203041532.db2.gz UATVQIIBKWCKKB-UONOGXRCSA-N 1 0 292.379 2.884 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276308854 193280671 /nfs/dbraw/zinc/28/06/71/193280671.db2.gz LNFHBEGFXXERLP-UHFFFAOYSA-N 1 0 298.358 2.964 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCc2cncn2C)cc1[N+](=O)[O-] ZINC000276669595 193421335 /nfs/dbraw/zinc/42/13/35/193421335.db2.gz OYGGGZPJNCHLBM-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CC[NH+]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000459489212 245195428 /nfs/dbraw/zinc/19/54/28/245195428.db2.gz XJGULADOMMEZKI-GHMZBOCLSA-N 1 0 283.397 2.571 20 5 CFBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956037 245375286 /nfs/dbraw/zinc/37/52/86/245375286.db2.gz GNQYMFAUVXTJPU-IINYFYTJSA-N 1 0 293.342 2.937 20 5 CFBDRO CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793918 372594036 /nfs/dbraw/zinc/59/40/36/372594036.db2.gz FAUAUPAOIKASHM-RISCZKNCSA-N 1 0 293.367 2.502 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000037156964 372659423 /nfs/dbraw/zinc/65/94/23/372659423.db2.gz UHPFTLGXYYASTJ-STQMWFEESA-N 1 0 288.351 2.839 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000037155112 372657117 /nfs/dbraw/zinc/65/71/17/372657117.db2.gz SFVINVALBFUZMQ-DOMZBBRYSA-N 1 0 288.351 2.921 20 5 CFBDRO CCC[C@@H]([NH2+]CCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751784 372697896 /nfs/dbraw/zinc/69/78/96/372697896.db2.gz FJDTZLIRYGKQJE-CQSZACIVSA-N 1 0 293.367 2.504 20 5 CFBDRO COc1ccc(C[NH2+]Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000040998250 372803082 /nfs/dbraw/zinc/80/30/82/372803082.db2.gz HXBYORBEZOJOLE-UHFFFAOYSA-N 1 0 293.348 2.658 20 5 CFBDRO O=C(CC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045799495 373034031 /nfs/dbraw/zinc/03/40/31/373034031.db2.gz PUAYRKLCPJOZRR-UHFFFAOYSA-N 1 0 291.351 2.799 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000047873377 373125430 /nfs/dbraw/zinc/12/54/30/373125430.db2.gz GOIQABSHEDDUEO-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000050015576 373339959 /nfs/dbraw/zinc/33/99/59/373339959.db2.gz CRYQBMNLGORBRC-UHFFFAOYSA-N 1 0 268.316 2.852 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)C[NH+]1CCCCC1 ZINC000052812490 373450809 /nfs/dbraw/zinc/45/08/09/373450809.db2.gz HPVFWKUGFCBJMP-LBPRGKRZSA-N 1 0 292.383 2.832 20 5 CFBDRO CCC(CC)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000053065984 373463223 /nfs/dbraw/zinc/46/32/23/373463223.db2.gz KMQSLXKQNOQBHK-UHFFFAOYSA-N 1 0 286.759 2.889 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054128384 373499805 /nfs/dbraw/zinc/49/98/05/373499805.db2.gz AGWQFOMFBDRJBY-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+](CC)CC ZINC000192540595 220225928 /nfs/dbraw/zinc/22/59/28/220225928.db2.gz FJWOXKIGXZNKLD-UHFFFAOYSA-N 1 0 297.403 2.654 20 5 CFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451736106 383694663 /nfs/dbraw/zinc/69/46/63/383694663.db2.gz ZBIQXROFLPLOMX-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000069084044 374047822 /nfs/dbraw/zinc/04/78/22/374047822.db2.gz UJODOGZPDYAIAK-UHFFFAOYSA-N 1 0 277.368 2.511 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571461725 383697624 /nfs/dbraw/zinc/69/76/24/383697624.db2.gz MNDIHZPIZBPNNR-ZOWXZIJZSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072874961 374297672 /nfs/dbraw/zinc/29/76/72/374297672.db2.gz RKIFOORPZXFPHG-CMPLNLGQSA-N 1 0 291.351 2.715 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000072743722 374282698 /nfs/dbraw/zinc/28/26/98/374282698.db2.gz NYVGWVCXZBJIET-OAHLLOKOSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076054838 374525337 /nfs/dbraw/zinc/52/53/37/374525337.db2.gz MXDZHWOVRAVBEY-MRXNPFEDSA-N 1 0 291.395 2.553 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000079735832 374628953 /nfs/dbraw/zinc/62/89/53/374628953.db2.gz ZHKPZSCVTHCXCK-ZYHUDNBSSA-N 1 0 252.314 2.670 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081519510 374701737 /nfs/dbraw/zinc/70/17/37/374701737.db2.gz XIHSHUUFBVBSJO-CYBMUJFWSA-N 1 0 278.352 2.762 20 5 CFBDRO COCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000081715063 374713628 /nfs/dbraw/zinc/71/36/28/374713628.db2.gz DYUMCUXQIGTILX-SECBINFHSA-N 1 0 272.732 2.763 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090794522 375028126 /nfs/dbraw/zinc/02/81/26/375028126.db2.gz GMLKHWKHJUYTHL-VXGBXAGGSA-N 1 0 291.351 2.642 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000090795150 375030424 /nfs/dbraw/zinc/03/04/24/375030424.db2.gz KHPQPDSYULFMPD-ZJUUUORDSA-N 1 0 267.304 2.629 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820055 375317119 /nfs/dbraw/zinc/31/71/19/375317119.db2.gz IMURSSXPSDOOMI-LLCTXKFZSA-N 1 0 288.347 2.720 20 5 CFBDRO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000093515633 375262220 /nfs/dbraw/zinc/26/22/20/375262220.db2.gz GEINKOBAVNYTNW-DZGCQCFKSA-N 1 0 291.395 2.995 20 5 CFBDRO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000093515632 375262541 /nfs/dbraw/zinc/26/25/41/375262541.db2.gz GEINKOBAVNYTNW-ZFWWWQNUSA-N 1 0 291.395 2.995 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094948930 375395112 /nfs/dbraw/zinc/39/51/12/375395112.db2.gz ILONJVGXHMPMCE-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000094721721 375376438 /nfs/dbraw/zinc/37/64/38/375376438.db2.gz NPFAGLOXLZXPBM-NSHDSACASA-N 1 0 264.325 2.590 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCCOC1 ZINC000094774853 375379705 /nfs/dbraw/zinc/37/97/05/375379705.db2.gz RESKGGCMUQMLAO-GFCCVEGCSA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC000097934259 375588065 /nfs/dbraw/zinc/58/80/65/375588065.db2.gz KEUQOYGCGQGDGS-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO CC(C)C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505634582 247147332 /nfs/dbraw/zinc/14/73/32/247147332.db2.gz IHDGLGXRHRZWIT-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000107829677 375810664 /nfs/dbraw/zinc/81/06/64/375810664.db2.gz GTGYSTNKGVWSMT-GXTWGEPZSA-N 1 0 261.325 2.634 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112076661 375882070 /nfs/dbraw/zinc/88/20/70/375882070.db2.gz UZCQFXZRWGCVQM-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000112096916 375882898 /nfs/dbraw/zinc/88/28/98/375882898.db2.gz WLAWTLZOQHPGHR-NSHDSACASA-N 1 0 274.324 2.662 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CC1 ZINC000112983457 375981318 /nfs/dbraw/zinc/98/13/18/375981318.db2.gz ULDBTFRFTCHYTJ-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000114725366 376084943 /nfs/dbraw/zinc/08/49/43/376084943.db2.gz DDUMPNKROBWPQX-UHFFFAOYSA-N 1 0 279.340 2.511 20 5 CFBDRO Cc1ccnc(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000115515623 376134467 /nfs/dbraw/zinc/13/44/67/376134467.db2.gz GDWVRWXQTRDNPB-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000119016456 376337069 /nfs/dbraw/zinc/33/70/69/376337069.db2.gz HPPKSDAYTACNOF-UHFFFAOYSA-N 1 0 287.319 2.501 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120023037 376528938 /nfs/dbraw/zinc/52/89/38/376528938.db2.gz DAXGUTROPDLCIF-YUELXQCFSA-N 1 0 290.363 2.840 20 5 CFBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000120900202 376720021 /nfs/dbraw/zinc/72/00/21/376720021.db2.gz YFUBGVMOICRPAW-JSGCOSHPSA-N 1 0 280.372 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000124461137 377052167 /nfs/dbraw/zinc/05/21/67/377052167.db2.gz DEYHEFQGHPJUAS-MRXNPFEDSA-N 1 0 286.331 2.808 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125308545 377140559 /nfs/dbraw/zinc/14/05/59/377140559.db2.gz QTZLMXSNAADVME-JMGFVUJMSA-N 1 0 289.379 2.715 20 5 CFBDRO CC(C)COCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000129828458 377479151 /nfs/dbraw/zinc/47/91/51/377479151.db2.gz RRXQMHKYSHZHLQ-LBPRGKRZSA-N 1 0 266.341 2.918 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C3CC3)CC2)cs1 ZINC000130723857 377600836 /nfs/dbraw/zinc/60/08/36/377600836.db2.gz VLYMSRBGIFLQJE-UHFFFAOYSA-N 1 0 252.339 2.936 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCF)C2CC2)cc1 ZINC000130990212 377642273 /nfs/dbraw/zinc/64/22/73/377642273.db2.gz UQIAWEZNIFXMHP-UHFFFAOYSA-N 1 0 252.289 2.919 20 5 CFBDRO CC(C)OCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131274957 377687067 /nfs/dbraw/zinc/68/70/67/377687067.db2.gz MQZOVUQJAMDHKD-UHFFFAOYSA-N 1 0 278.352 2.768 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000133248171 377916242 /nfs/dbraw/zinc/91/62/42/377916242.db2.gz MZKNNCAGKFZVPK-MRVPVSSYSA-N 1 0 291.273 2.881 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000133779925 377956822 /nfs/dbraw/zinc/95/68/22/377956822.db2.gz VGFUWPOATYVNLI-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000134404099 378010126 /nfs/dbraw/zinc/01/01/26/378010126.db2.gz OWIZDAOMLZNIFX-AWEZNQCLSA-N 1 0 280.368 2.742 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000135167516 378094027 /nfs/dbraw/zinc/09/40/27/378094027.db2.gz YUIKKGIENQCQAX-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000135174234 378095632 /nfs/dbraw/zinc/09/56/32/378095632.db2.gz XJKOUVFUFWDKJH-JQWIXIFHSA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCS2)cc1 ZINC000149933651 378267365 /nfs/dbraw/zinc/26/73/65/378267365.db2.gz HIMMCXUAGNCRBH-ZDUSSCGKSA-N 1 0 266.366 2.623 20 5 CFBDRO CCOCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153320658 378486119 /nfs/dbraw/zinc/48/61/19/378486119.db2.gz OCVLNOBRYXALQJ-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000153361137 378487992 /nfs/dbraw/zinc/48/79/92/378487992.db2.gz RGHOVDZXXODPQA-KBPBESRZSA-N 1 0 260.337 2.869 20 5 CFBDRO CC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153704299 378505580 /nfs/dbraw/zinc/50/55/80/378505580.db2.gz ITKGTMBOYBJVTB-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330502035 378571728 /nfs/dbraw/zinc/57/17/28/378571728.db2.gz BEQXYSYANHVSLV-GFCCVEGCSA-N 1 0 264.325 2.978 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000331007384 378613081 /nfs/dbraw/zinc/61/30/81/378613081.db2.gz MAQQNXBIAZSNNI-LSDHHAIUSA-N 1 0 278.352 2.544 20 5 CFBDRO CC(C)(C)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000331311471 378666377 /nfs/dbraw/zinc/66/63/77/378666377.db2.gz GXORYMTVQPBKJL-HNNXBMFYSA-N 1 0 292.379 2.884 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cs1 ZINC000332144858 378729396 /nfs/dbraw/zinc/72/93/96/378729396.db2.gz NIXXLKYZPGSIEP-CYBMUJFWSA-N 1 0 296.392 2.905 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000160467290 378774405 /nfs/dbraw/zinc/77/44/05/378774405.db2.gz UYVYRDOSXFHUBR-JTQLQIEISA-N 1 0 270.354 2.704 20 5 CFBDRO Cc1nc(NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000161509940 378853175 /nfs/dbraw/zinc/85/31/75/378853175.db2.gz NSMIYMUDUDSRDD-GFCCVEGCSA-N 1 0 292.383 2.975 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000163251822 378962398 /nfs/dbraw/zinc/96/23/98/378962398.db2.gz JOWHQHLVFNDGEN-VIFPVBQESA-N 1 0 263.322 2.902 20 5 CFBDRO Cc1nn(CC[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000278592132 194059928 /nfs/dbraw/zinc/05/99/28/194059928.db2.gz PZFSGJWXAUKWIW-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO CC[C@H](CSC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000163874124 378995276 /nfs/dbraw/zinc/99/52/76/378995276.db2.gz CESCLZKJRSVMEA-LLVKDONJSA-N 1 0 284.381 2.835 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278629389 194076108 /nfs/dbraw/zinc/07/61/08/194076108.db2.gz GVXWBZTZYOSVGK-LYRGGWFBSA-N 1 0 290.363 2.987 20 5 CFBDRO CC(C)CC[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000571875139 383734383 /nfs/dbraw/zinc/73/43/83/383734383.db2.gz JMSNUUUHUUJICI-CQSZACIVSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCCCO ZINC000278936252 194220599 /nfs/dbraw/zinc/22/05/99/194220599.db2.gz TYVRIYSXUWSYBM-GFCCVEGCSA-N 1 0 266.341 2.750 20 5 CFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000278961624 194231535 /nfs/dbraw/zinc/23/15/35/194231535.db2.gz ZPIMMBGPNBSUIX-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000172591748 379601559 /nfs/dbraw/zinc/60/15/59/379601559.db2.gz JFLQZYPXBAWJCO-SNVBAGLBSA-N 1 0 252.339 2.532 20 5 CFBDRO CCN(CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173372847 379731533 /nfs/dbraw/zinc/73/15/33/379731533.db2.gz VXAYJXFRPSCLJS-LBPRGKRZSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000176194316 380192453 /nfs/dbraw/zinc/19/24/53/380192453.db2.gz KHLRNPMCHJBVCC-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO CCc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194467 380192506 /nfs/dbraw/zinc/19/25/06/380192506.db2.gz LQGULPJFMQCTMK-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000176195086 380193974 /nfs/dbraw/zinc/19/39/74/380193974.db2.gz FKKOXCZWAWARAU-LLVKDONJSA-N 1 0 292.364 2.690 20 5 CFBDRO C[C@@H](c1cccs1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176210766 380195825 /nfs/dbraw/zinc/19/58/25/380195825.db2.gz GBTHYRVMBOSTFG-JTQLQIEISA-N 1 0 280.353 2.546 20 5 CFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1C ZINC000176207882 380196055 /nfs/dbraw/zinc/19/60/55/380196055.db2.gz JEBRTSVTOYLSIQ-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCOC1)C1CC1 ZINC000177927856 380394187 /nfs/dbraw/zinc/39/41/87/380394187.db2.gz VUEVLWZIBBLYDG-CABCVRRESA-N 1 0 290.363 2.685 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000572015087 383747455 /nfs/dbraw/zinc/74/74/55/383747455.db2.gz KEZLBZDRZXUFOJ-SUNKGSAMSA-N 1 0 276.336 2.739 20 5 CFBDRO [NH3+]CCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000336719537 380610199 /nfs/dbraw/zinc/61/01/99/380610199.db2.gz SVOGLQYPDNDVJA-UHFFFAOYSA-N 1 0 299.374 2.946 20 5 CFBDRO CC[C@H]([NH2+]CCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000336815215 380676442 /nfs/dbraw/zinc/67/64/42/380676442.db2.gz ZFBURFJTRUKTRS-ZDUSSCGKSA-N 1 0 266.341 2.797 20 5 CFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295453320 380863660 /nfs/dbraw/zinc/86/36/60/380863660.db2.gz NWESUEJSOLNIOL-LLVKDONJSA-N 1 0 295.387 2.616 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000400626231 380864197 /nfs/dbraw/zinc/86/41/97/380864197.db2.gz NPWSFCLAGLSLAA-LBPRGKRZSA-N 1 0 264.325 2.501 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353804512 380866682 /nfs/dbraw/zinc/86/66/82/380866682.db2.gz MWIZKKLLGNDBNN-ZIAGYGMSSA-N 1 0 291.395 2.818 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000295463058 380870545 /nfs/dbraw/zinc/87/05/45/380870545.db2.gz QZTUECSSQNXVOI-GBIKHYSHSA-N 1 0 298.770 2.946 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccn1C)c1ccccc1[N+](=O)[O-] ZINC000341259053 380873409 /nfs/dbraw/zinc/87/34/09/380873409.db2.gz AOPWJUFQTVUETB-LLVKDONJSA-N 1 0 259.309 2.784 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSCC[C@H]1C ZINC000279228065 194342337 /nfs/dbraw/zinc/34/23/37/194342337.db2.gz IWXBYTFCKCGEGP-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347021769 380885518 /nfs/dbraw/zinc/88/55/18/380885518.db2.gz NNTBZCMELQNKJO-MISXGVKJSA-N 1 0 292.335 2.539 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000341271568 380887860 /nfs/dbraw/zinc/88/78/60/380887860.db2.gz VNAOQVKDEQMRRK-DZGCQCFKSA-N 1 0 278.352 2.808 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353848818 380897657 /nfs/dbraw/zinc/89/76/57/380897657.db2.gz WOFJSIQXNIBVCD-ZDUSSCGKSA-N 1 0 278.352 2.939 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000341282759 380898175 /nfs/dbraw/zinc/89/81/75/380898175.db2.gz OGDVDQUXQQUVDJ-TUAOUCFPSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000353849870 380899954 /nfs/dbraw/zinc/89/99/54/380899954.db2.gz KYBARHSZOVLHBM-WCQYABFASA-N 1 0 278.352 2.572 20 5 CFBDRO CN(CC1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000287899666 380967798 /nfs/dbraw/zinc/96/77/98/380967798.db2.gz NXZNOYLWGAKSRG-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(O)CCC1 ZINC000341338332 380946877 /nfs/dbraw/zinc/94/68/77/380946877.db2.gz XZUGVYVDYIZJOM-JLHYYAGUSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCC2CCOCC2)c1 ZINC000347113408 380946939 /nfs/dbraw/zinc/94/69/39/380946939.db2.gz UOTJHEJVMHITAX-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347234988 381019782 /nfs/dbraw/zinc/01/97/82/381019782.db2.gz ZYYRYDAIHSELJS-NBVGUUKWSA-N 1 0 289.379 2.667 20 5 CFBDRO CC[C@H]([NH2+]CC(=O)N(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000411474139 381028444 /nfs/dbraw/zinc/02/84/44/381028444.db2.gz LCMAVZFRAIXMPY-AWEZNQCLSA-N 1 0 293.367 2.502 20 5 CFBDRO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000151220764 284862094 /nfs/dbraw/zinc/86/20/94/284862094.db2.gz JFNOLCLXCMVGJL-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)CC2CCCC2)c1 ZINC000341517461 381061559 /nfs/dbraw/zinc/06/15/59/381061559.db2.gz YRKJRMJFYWVIIB-HNNXBMFYSA-N 1 0 292.379 2.873 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000354077893 381062946 /nfs/dbraw/zinc/06/29/46/381062946.db2.gz JYMOGVAGYCUFKJ-NEPJUHHUSA-N 1 0 282.365 2.515 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000182345779 381069872 /nfs/dbraw/zinc/06/98/72/381069872.db2.gz ALFXXEBIRUSWFR-CABCVRRESA-N 1 0 294.351 2.521 20 5 CFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000341489044 381045336 /nfs/dbraw/zinc/04/53/36/381045336.db2.gz QJIMRYUADKWQBV-GHMZBOCLSA-N 1 0 294.351 2.835 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000347343109 381083479 /nfs/dbraw/zinc/08/34/79/381083479.db2.gz QIGLMDCTXZQWQX-XETPBLJFSA-N 1 0 290.363 2.702 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000412019767 381092623 /nfs/dbraw/zinc/09/26/23/381092623.db2.gz IYRQRMQRPLPJBO-LLVKDONJSA-N 1 0 264.325 2.642 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(C)(C)O ZINC000347356182 381094834 /nfs/dbraw/zinc/09/48/34/381094834.db2.gz LCEGIIMXSLCALB-XYOKQWHBSA-N 1 0 278.352 2.701 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)C2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000412021367 381095777 /nfs/dbraw/zinc/09/57/77/381095777.db2.gz MHZOITJXRGIPGV-LLVKDONJSA-N 1 0 294.351 2.651 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC[C@H](C)O ZINC000347383704 381113107 /nfs/dbraw/zinc/11/31/07/381113107.db2.gz YSZPGPNVAYWOBM-SUIFULHWSA-N 1 0 278.352 2.701 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000182364800 381076884 /nfs/dbraw/zinc/07/68/84/381076884.db2.gz DPRFWMGTJRCRGW-FZMZJTMJSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000368790552 381133317 /nfs/dbraw/zinc/13/33/17/381133317.db2.gz HQPHYQYSRREGLI-INIZCTEOSA-N 1 0 290.363 2.986 20 5 CFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@@H]1O ZINC000182666516 381134068 /nfs/dbraw/zinc/13/40/68/381134068.db2.gz QENRXORLGOCCAA-IRXDYDNUSA-N 1 0 298.342 2.685 20 5 CFBDRO Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000295975805 381192944 /nfs/dbraw/zinc/19/29/44/381192944.db2.gz KPJKXQQCJFLKRJ-YHWZYXNKSA-N 1 0 275.352 2.940 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341889606 381201182 /nfs/dbraw/zinc/20/11/82/381201182.db2.gz RZHABRPMWCGFNZ-OAHLLOKOSA-N 1 0 286.335 2.668 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C2=CC[N@H+](C)CC2)n1 ZINC000359083395 381255669 /nfs/dbraw/zinc/25/56/69/381255669.db2.gz OFZJZNBMMHUPDA-LBPRGKRZSA-N 1 0 290.367 2.669 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359088411 381258668 /nfs/dbraw/zinc/25/86/68/381258668.db2.gz ZANAIFDLBRPADI-CYBMUJFWSA-N 1 0 292.383 2.893 20 5 CFBDRO CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000296129353 381268539 /nfs/dbraw/zinc/26/85/39/381268539.db2.gz WBXOMKMZUZQHAI-SECBINFHSA-N 1 0 268.313 2.500 20 5 CFBDRO COC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000183423762 381268952 /nfs/dbraw/zinc/26/89/52/381268952.db2.gz XVWPKPNEULYXMK-LBPRGKRZSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000359033682 381226647 /nfs/dbraw/zinc/22/66/47/381226647.db2.gz WXIGLUTWLIUJSW-STQMWFEESA-N 1 0 279.384 2.976 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)cs1 ZINC000342235908 381228310 /nfs/dbraw/zinc/22/83/10/381228310.db2.gz AMUPBGIYQRWNJL-MNOVXSKESA-N 1 0 284.381 2.545 20 5 CFBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000347578656 381234843 /nfs/dbraw/zinc/23/48/43/381234843.db2.gz PLIJUDOINIVFGO-STQMWFEESA-N 1 0 294.399 2.938 20 5 CFBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000296191323 381294506 /nfs/dbraw/zinc/29/45/06/381294506.db2.gz YMNOUGDPNNPPBP-NSHDSACASA-N 1 0 295.408 2.572 20 5 CFBDRO CO[C@H](C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000354445131 381272292 /nfs/dbraw/zinc/27/22/92/381272292.db2.gz DFGROZYDPAJCIB-CYBMUJFWSA-N 1 0 296.367 2.719 20 5 CFBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183477803 381274919 /nfs/dbraw/zinc/27/49/19/381274919.db2.gz ZVMRCCBRVQOXKT-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000369901536 381350013 /nfs/dbraw/zinc/35/00/13/381350013.db2.gz GWCFMVIMIXRTGM-LSDHHAIUSA-N 1 0 290.363 2.762 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](CO)CC1 ZINC000354700856 381408467 /nfs/dbraw/zinc/40/84/67/381408467.db2.gz XGPGSXXYESBMHW-HJHHMULASA-N 1 0 290.363 2.702 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCn1ccnc1 ZINC000290392208 381410103 /nfs/dbraw/zinc/41/01/03/381410103.db2.gz IWVKRCDWNNMSJA-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000296479829 381413714 /nfs/dbraw/zinc/41/37/14/381413714.db2.gz OFSOJFAUISSKJY-AAEUAGOBSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184234176 381390226 /nfs/dbraw/zinc/39/02/26/381390226.db2.gz KAZANAAQEAOCPV-JTQLQIEISA-N 1 0 282.315 2.974 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296454869 381403080 /nfs/dbraw/zinc/40/30/80/381403080.db2.gz MYEFSYAKZXBIIK-ZIBATOQPSA-N 1 0 295.383 2.889 20 5 CFBDRO O=[N+]([O-])c1cccc(CNc2cc3c(c[nH+]2)CCCC3)c1 ZINC000359464877 381422940 /nfs/dbraw/zinc/42/29/40/381422940.db2.gz DZWGHUGQYMSOHG-UHFFFAOYSA-N 1 0 283.331 2.903 20 5 CFBDRO CCn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000414302121 381575505 /nfs/dbraw/zinc/57/55/05/381575505.db2.gz NQTAQTLXEBPSQB-UHFFFAOYSA-N 1 0 264.260 2.562 20 5 CFBDRO CC1(C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414219789 381571591 /nfs/dbraw/zinc/57/15/91/381571591.db2.gz IMWCHHQXIJRZGM-SRVKXCTJSA-N 1 0 278.356 2.663 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000298376058 381599121 /nfs/dbraw/zinc/59/91/21/381599121.db2.gz CMKGJLNHIYCJLU-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355120288 381625499 /nfs/dbraw/zinc/62/54/99/381625499.db2.gz YFTZUSBREIKNPS-CABCVRRESA-N 1 0 290.363 2.904 20 5 CFBDRO CC[C@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414978082 381672579 /nfs/dbraw/zinc/67/25/79/381672579.db2.gz LCNFEEFPHCHZAL-LBPRGKRZSA-N 1 0 289.335 2.682 20 5 CFBDRO C[C@@H]([C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000185503306 381651665 /nfs/dbraw/zinc/65/16/65/381651665.db2.gz UTPSZMZJIMSUTO-STQMWFEESA-N 1 0 294.399 2.986 20 5 CFBDRO CC[NH2+][C@H](C)CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414957806 381651840 /nfs/dbraw/zinc/65/18/40/381651840.db2.gz OTAGXKGMMHWTHJ-QWHCGFSZSA-N 1 0 279.384 2.504 20 5 CFBDRO COC1CC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000348709381 381678019 /nfs/dbraw/zinc/67/80/19/381678019.db2.gz MMMJPPXGYQLMOB-ALCCZGGFSA-N 1 0 276.336 2.717 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000371736857 381689803 /nfs/dbraw/zinc/68/98/03/381689803.db2.gz QCOYIFCJLRNWTA-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000298754319 381737399 /nfs/dbraw/zinc/73/73/99/381737399.db2.gz NQXYOAVPVWNRQG-TZMCWYRMSA-N 1 0 278.352 2.637 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000291322249 381748166 /nfs/dbraw/zinc/74/81/66/381748166.db2.gz STZHKAFYNMWQKV-CQSZACIVSA-N 1 0 286.335 2.547 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000291346314 381756342 /nfs/dbraw/zinc/75/63/42/381756342.db2.gz XGWWYEFMMBPUNQ-CQSZACIVSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@@H]1[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343456847 381723852 /nfs/dbraw/zinc/72/38/52/381723852.db2.gz JZRPTNZJJUWTDR-SCZZXKLOSA-N 1 0 284.747 2.538 20 5 CFBDRO CCCNC(=O)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000298924242 381782461 /nfs/dbraw/zinc/78/24/61/381782461.db2.gz NQQCUBVYWTTYJP-GFCCVEGCSA-N 1 0 293.367 2.552 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000372271375 381783699 /nfs/dbraw/zinc/78/36/99/381783699.db2.gz BGHDEKIACDRBHC-NSHDSACASA-N 1 0 292.364 2.690 20 5 CFBDRO CC(C)(C)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372334148 381791537 /nfs/dbraw/zinc/79/15/37/381791537.db2.gz ZEVGFAHZRBEFOJ-GFCCVEGCSA-N 1 0 280.372 2.864 20 5 CFBDRO Cc1ccc(CN2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000415133034 381800690 /nfs/dbraw/zinc/80/06/90/381800690.db2.gz DNHTXHKJDKDTBN-OAHLLOKOSA-N 1 0 297.358 2.793 20 5 CFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000349035216 381798865 /nfs/dbraw/zinc/79/88/65/381798865.db2.gz HFQYWECWGDAXHA-VURMDHGXSA-N 1 0 289.379 2.636 20 5 CFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335007 381761724 /nfs/dbraw/zinc/76/17/24/381761724.db2.gz NFKVBEFMCUQMSZ-VXGBXAGGSA-N 1 0 280.372 2.729 20 5 CFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360211578 381770360 /nfs/dbraw/zinc/77/03/60/381770360.db2.gz FJKLXHVNKGWAMW-WDEREUQCSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292770039 381828607 /nfs/dbraw/zinc/82/86/07/381828607.db2.gz WRMSFCLGYNCICV-AAEUAGOBSA-N 1 0 295.358 2.819 20 5 CFBDRO Cc1ccc(CN2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000415133032 381801544 /nfs/dbraw/zinc/80/15/44/381801544.db2.gz DNHTXHKJDKDTBN-HNNXBMFYSA-N 1 0 297.358 2.793 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000299077418 381815485 /nfs/dbraw/zinc/81/54/85/381815485.db2.gz QXBRMOQDDVNOED-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000292882158 381882321 /nfs/dbraw/zinc/88/23/21/381882321.db2.gz CBTHHIMWDAAHRN-IUODEOHRSA-N 1 0 278.352 2.544 20 5 CFBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000292855542 381867107 /nfs/dbraw/zinc/86/71/07/381867107.db2.gz CDBWGCIJBJWWOD-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO CCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000299404329 381927862 /nfs/dbraw/zinc/92/78/62/381927862.db2.gz WTNXYJYGEKIVDA-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186499828 381928246 /nfs/dbraw/zinc/92/82/46/381928246.db2.gz DIOLEJPDIXIKLT-BSWNYTGASA-N 1 0 278.352 2.881 20 5 CFBDRO Cc1cnc(NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000343790874 381943967 /nfs/dbraw/zinc/94/39/67/381943967.db2.gz CVGVHSSBETZSMF-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000343914704 382016628 /nfs/dbraw/zinc/01/66/28/382016628.db2.gz ODVPWZQNRVODAG-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCO1 ZINC000293094877 381987181 /nfs/dbraw/zinc/98/71/81/381987181.db2.gz KQKSEPUDJIWWJU-HNNXBMFYSA-N 1 0 296.342 2.981 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417329034 382041902 /nfs/dbraw/zinc/04/19/02/382041902.db2.gz JGLAQLJFWIQWRP-IAQYHMDHSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(CO)CC1 ZINC000186953137 382056372 /nfs/dbraw/zinc/05/63/72/382056372.db2.gz JGISYPLUCXXUFQ-LBPRGKRZSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307207 382035815 /nfs/dbraw/zinc/03/58/15/382035815.db2.gz GUNKXDRIAUJUBN-WBMJQRKESA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000301186422 382102328 /nfs/dbraw/zinc/10/23/28/382102328.db2.gz KFUHYEAAYUHZFG-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO CC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301212936 382107791 /nfs/dbraw/zinc/10/77/91/382107791.db2.gz WBQULCJMQXJRLF-GFCCVEGCSA-N 1 0 291.351 2.551 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418110237 382125954 /nfs/dbraw/zinc/12/59/54/382125954.db2.gz WAZGSLXUJFOBES-CQODMURYSA-N 1 0 276.336 2.501 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)CC1 ZINC000293309749 382072902 /nfs/dbraw/zinc/07/29/02/382072902.db2.gz WZRWVJGAZHICLF-RYUDHWBXSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000301125217 382087758 /nfs/dbraw/zinc/08/77/58/382087758.db2.gz ZYONYQJURKIEGW-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293360907 382093481 /nfs/dbraw/zinc/09/34/81/382093481.db2.gz HIYMEYVYQQEXEJ-VHDGCEQUSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCC(C)CC1 ZINC000301183355 382100006 /nfs/dbraw/zinc/10/00/06/382100006.db2.gz ISORYHRKSMHMKK-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO C[N@H+](CCc1ccccc1O)Cc1cccc([N+](=O)[O-])c1 ZINC000344169976 382176045 /nfs/dbraw/zinc/17/60/45/382176045.db2.gz XTAIMXVKROMCMN-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000301602106 382180404 /nfs/dbraw/zinc/18/04/04/382180404.db2.gz VYNRZXCFFDUSRL-VXGBXAGGSA-N 1 0 263.341 2.880 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344111064 382135975 /nfs/dbraw/zinc/13/59/75/382135975.db2.gz UCUIUIJUHIIHJZ-LEWSCRJBSA-N 1 0 278.352 2.744 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000293525833 382158150 /nfs/dbraw/zinc/15/81/50/382158150.db2.gz WNAKWAXLPYHCRT-JQWIXIFHSA-N 1 0 291.351 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3)nc2c1 ZINC000352086123 382165899 /nfs/dbraw/zinc/16/58/99/382165899.db2.gz AJDPBZNAXPJSJT-UHFFFAOYSA-N 1 0 282.303 2.761 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000376996595 382199714 /nfs/dbraw/zinc/19/97/14/382199714.db2.gz HYLVAOIHQHMMPQ-UHFFFAOYSA-N 1 0 298.346 2.764 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000301926339 382200594 /nfs/dbraw/zinc/20/05/94/382200594.db2.gz JGRLMUHPRQEYOW-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]([NH2+]CCc1nccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293666083 382223939 /nfs/dbraw/zinc/22/39/39/382223939.db2.gz JLUGYNHHIWUWHZ-VIFPVBQESA-N 1 0 292.364 2.527 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000377540663 382287846 /nfs/dbraw/zinc/28/78/46/382287846.db2.gz ARVUHXZYKJBRKS-ZDUSSCGKSA-N 1 0 276.336 2.978 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000302509593 382259887 /nfs/dbraw/zinc/25/98/87/382259887.db2.gz SDUMFAFOMZDIQK-UHFFFAOYSA-N 1 0 299.321 2.794 20 5 CFBDRO C[C@H]1CC[C@](CO)([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956956 382309494 /nfs/dbraw/zinc/30/94/94/382309494.db2.gz YPEGTKLVGMEJLN-BBRMVZONSA-N 1 0 292.379 2.620 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000346166009 382334408 /nfs/dbraw/zinc/33/44/08/382334408.db2.gz ARKYBXPSDICJLX-RYUDHWBXSA-N 1 0 295.358 2.648 20 5 CFBDRO COc1cccc(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420294299 382346261 /nfs/dbraw/zinc/34/62/61/382346261.db2.gz YYDMJTMIFXEQJI-QWRGUYRKSA-N 1 0 279.340 2.533 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420285935 382342075 /nfs/dbraw/zinc/34/20/75/382342075.db2.gz PUHDQRUIGBUCBF-NWDGAFQWSA-N 1 0 278.356 2.536 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420287889 382342176 /nfs/dbraw/zinc/34/21/76/382342176.db2.gz RSBHYXFTJDIFIB-RYUDHWBXSA-N 1 0 263.341 2.833 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CC3)CC2)c1 ZINC000364628379 382343431 /nfs/dbraw/zinc/34/34/31/382343431.db2.gz CBFRZXPRFHDFIJ-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000419370041 382300408 /nfs/dbraw/zinc/30/04/08/382300408.db2.gz IYNKCLJZFQJMMZ-IJLUTSLNSA-N 1 0 291.351 2.510 20 5 CFBDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000352563249 382397100 /nfs/dbraw/zinc/39/71/00/382397100.db2.gz RWXSHGFIHCEHOC-MRVPVSSYSA-N 1 0 278.230 2.782 20 5 CFBDRO Cc1c(CN[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420355604 382380462 /nfs/dbraw/zinc/38/04/62/382380462.db2.gz CCMZEDZBUXVVFY-OAHLLOKOSA-N 1 0 291.395 2.900 20 5 CFBDRO Cc1cnc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000357952922 382390145 /nfs/dbraw/zinc/39/01/45/382390145.db2.gz BVSSMMLVOBOOAN-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO COc1cc(C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352545480 382390347 /nfs/dbraw/zinc/39/03/47/382390347.db2.gz JJNONKZEKMMTDJ-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000378063278 382392949 /nfs/dbraw/zinc/39/29/49/382392949.db2.gz VVBSSERFNOZYFK-UHFFFAOYSA-N 1 0 286.335 2.698 20 5 CFBDRO C[C@H](F)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352559222 382396036 /nfs/dbraw/zinc/39/60/36/382396036.db2.gz CIPOESXENUGMCH-NSHDSACASA-N 1 0 254.305 2.817 20 5 CFBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297214 382348160 /nfs/dbraw/zinc/34/81/60/382348160.db2.gz RDMLFOPZUNHURX-STQMWFEESA-N 1 0 277.368 2.506 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000352628069 382423577 /nfs/dbraw/zinc/42/35/77/382423577.db2.gz IGDDIVBXUWGVAL-NXEZZACHSA-N 1 0 252.289 2.964 20 5 CFBDRO COc1cc(NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000420622677 382430973 /nfs/dbraw/zinc/43/09/73/382430973.db2.gz GOHAOQRAUPMWFO-UHFFFAOYSA-N 1 0 293.367 2.888 20 5 CFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000294164027 382440392 /nfs/dbraw/zinc/44/03/92/382440392.db2.gz IQLLINHXIJJOQY-GXSJLCMTSA-N 1 0 272.370 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000365799032 382446428 /nfs/dbraw/zinc/44/64/28/382446428.db2.gz WMRUAEVACZKLLP-LLVKDONJSA-N 1 0 291.307 2.735 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413383 382403021 /nfs/dbraw/zinc/40/30/21/382403021.db2.gz ZXIIDDWCNYCWPT-ZFWWWQNUSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(F)c1 ZINC000352617476 382419363 /nfs/dbraw/zinc/41/93/63/382419363.db2.gz DFXOQWCCNOFHCB-IUODEOHRSA-N 1 0 294.326 2.735 20 5 CFBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000352780020 382470350 /nfs/dbraw/zinc/47/03/50/382470350.db2.gz RCBSEGAKFVBUES-ZOWXZIJZSA-N 1 0 278.352 2.667 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358148576 382470906 /nfs/dbraw/zinc/47/09/06/382470906.db2.gz DNIUKWPMXHILOS-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC000346641993 382451435 /nfs/dbraw/zinc/45/14/35/382451435.db2.gz RUSSUJMVSDZCCM-GFCCVEGCSA-N 1 0 280.372 2.740 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674574 382466875 /nfs/dbraw/zinc/46/68/75/382466875.db2.gz IODOZORSXFHQDS-GXTWGEPZSA-N 1 0 291.395 2.887 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)COCCOC)c1cccc([N+](=O)[O-])c1 ZINC000358188681 382495392 /nfs/dbraw/zinc/49/53/92/382495392.db2.gz LKJAXDKPUIBNON-DOMZBBRYSA-N 1 0 296.367 2.687 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000353193255 382524682 /nfs/dbraw/zinc/52/46/82/382524682.db2.gz OVIORMVDZFORGW-SOKLDJIMSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420935636 382500913 /nfs/dbraw/zinc/50/09/13/382500913.db2.gz HXDYJZLWTAGEON-FPMFFAJLSA-N 1 0 292.379 2.915 20 5 CFBDRO CS[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294951786 382547511 /nfs/dbraw/zinc/54/75/11/382547511.db2.gz DCVILQVPDDUZHK-GFCCVEGCSA-N 1 0 252.339 2.532 20 5 CFBDRO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294969279 382557089 /nfs/dbraw/zinc/55/70/89/382557089.db2.gz ODXQDQMGVILSPF-GFCCVEGCSA-N 1 0 275.352 2.515 20 5 CFBDRO CSCC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358324132 382568286 /nfs/dbraw/zinc/56/82/86/382568286.db2.gz WISMTBCQGXVXRY-DGCLKSJQSA-N 1 0 298.408 2.668 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000382424500 382530676 /nfs/dbraw/zinc/53/06/76/382530676.db2.gz LVJKASVJIBTSEK-QWRGUYRKSA-N 1 0 286.335 2.825 20 5 CFBDRO CCOc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382486053 382531994 /nfs/dbraw/zinc/53/19/94/382531994.db2.gz ZKDHVBVMGPYSEG-GHMZBOCLSA-N 1 0 279.340 2.675 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000295231728 382594758 /nfs/dbraw/zinc/59/47/58/382594758.db2.gz OJMLJXHXFSSXBX-AWEZNQCLSA-N 1 0 294.351 2.521 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000394058780 382625589 /nfs/dbraw/zinc/62/55/89/382625589.db2.gz DTEHPWHHXZGANG-YPMHNXCESA-N 1 0 266.341 2.510 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000189571379 382625901 /nfs/dbraw/zinc/62/59/01/382625901.db2.gz BUPHKUUDJCUDDN-CQSZACIVSA-N 1 0 278.352 2.639 20 5 CFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821497 382578581 /nfs/dbraw/zinc/57/85/81/382578581.db2.gz RRADFWIOCPZVOY-GWCFXTLKSA-N 1 0 298.770 2.841 20 5 CFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000353622601 382582826 /nfs/dbraw/zinc/58/28/26/382582826.db2.gz OLIFVWOUPOVVCF-GFCCVEGCSA-N 1 0 288.351 2.991 20 5 CFBDRO C[C@H]1CSCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000190460698 382669519 /nfs/dbraw/zinc/66/95/19/382669519.db2.gz ZKYRPTOZVMSVOS-GFCCVEGCSA-N 1 0 296.392 2.659 20 5 CFBDRO CCOCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588901 382710490 /nfs/dbraw/zinc/71/04/90/382710490.db2.gz QFMXDNCDRBWPTQ-HNNXBMFYSA-N 1 0 278.352 2.988 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCCO)c(Cl)c1 ZINC000192900481 382713428 /nfs/dbraw/zinc/71/34/28/382713428.db2.gz APLAYUMNSBOTAG-UHFFFAOYSA-N 1 0 272.732 2.500 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193737100 382723799 /nfs/dbraw/zinc/72/37/99/382723799.db2.gz QWWQOBYJPLGEGV-JTQLQIEISA-N 1 0 281.312 2.981 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)COC(C)C ZINC000337268811 382789945 /nfs/dbraw/zinc/78/99/45/382789945.db2.gz YCOALUIYFADCKG-NSHDSACASA-N 1 0 282.340 2.507 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000219182916 382792471 /nfs/dbraw/zinc/79/24/71/382792471.db2.gz OUUIOTXTPKCVMN-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000194620728 382750176 /nfs/dbraw/zinc/75/01/76/382750176.db2.gz BELFXSKTJIETQF-CMPLNLGQSA-N 1 0 294.351 2.977 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000224265344 382809834 /nfs/dbraw/zinc/80/98/34/382809834.db2.gz SJKLRCYXXGRAKX-LBPRGKRZSA-N 1 0 278.352 2.542 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOCC2CC2)c1 ZINC000224522077 382811477 /nfs/dbraw/zinc/81/14/77/382811477.db2.gz YMJMHJLMZSRRTB-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576189327 382813857 /nfs/dbraw/zinc/81/38/57/382813857.db2.gz BLUPZQDZTQWBDS-UHFFFAOYSA-N 1 0 292.383 2.546 20 5 CFBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000576238094 382815766 /nfs/dbraw/zinc/81/57/66/382815766.db2.gz SZGKSIAXLDSFEJ-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO COCC1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000576323942 382818596 /nfs/dbraw/zinc/81/85/96/382818596.db2.gz GJCYSWNZVKTNJA-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226332703 382826938 /nfs/dbraw/zinc/82/69/38/382826938.db2.gz UEVKWQHKJPEGLY-SGMGOOAPSA-N 1 0 277.368 2.715 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227347359 382836023 /nfs/dbraw/zinc/83/60/23/382836023.db2.gz JSTXBNWTMBNHPO-UHFFFAOYSA-N 1 0 286.759 2.887 20 5 CFBDRO CC[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000227550057 382838089 /nfs/dbraw/zinc/83/80/89/382838089.db2.gz VNRFNXQMCOMVMP-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)c(Cl)c1 ZINC000227649409 382838784 /nfs/dbraw/zinc/83/87/84/382838784.db2.gz RVXWKDPPKIEAQX-UHFFFAOYSA-N 1 0 284.747 2.541 20 5 CFBDRO CC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227649376 382838880 /nfs/dbraw/zinc/83/88/80/382838880.db2.gz SGTUWBNOQUEZKU-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000227649458 382839033 /nfs/dbraw/zinc/83/90/33/382839033.db2.gz SDCLUONARSURTD-RYUDHWBXSA-N 1 0 296.758 2.682 20 5 CFBDRO CC[NH+](CC)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887158 382841965 /nfs/dbraw/zinc/84/19/65/382841965.db2.gz YFOPNULHVVLBFJ-UHFFFAOYSA-N 1 0 273.283 2.627 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228203009 382845597 /nfs/dbraw/zinc/84/55/97/382845597.db2.gz PQZPKYFDXNRNHM-RYUDHWBXSA-N 1 0 263.341 2.798 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000228219610 382845704 /nfs/dbraw/zinc/84/57/04/382845704.db2.gz VZMCBKBKUINABW-JGRMJRGVSA-N 1 0 298.408 2.711 20 5 CFBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000230222004 382858033 /nfs/dbraw/zinc/85/80/33/382858033.db2.gz PLCHQRJFYHTRDT-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000231691248 382866811 /nfs/dbraw/zinc/86/68/11/382866811.db2.gz OFYLWURMIIKYJP-ZKYQVNSYSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1c(CNC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000231883946 382867518 /nfs/dbraw/zinc/86/75/18/382867518.db2.gz CJPJEDSLTDPBMA-UHFFFAOYSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000235531757 382883379 /nfs/dbraw/zinc/88/33/79/382883379.db2.gz MWDFETMFWAIMRF-SGMGOOAPSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C2CCC1CC2 ZINC000533237376 382888446 /nfs/dbraw/zinc/88/84/46/382888446.db2.gz UTUQOOSOLBPNIR-QFWMXSHPSA-N 1 0 289.335 2.549 20 5 CFBDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000421858330 382950008 /nfs/dbraw/zinc/95/00/08/382950008.db2.gz POANQEGCWWKKNV-LBPRGKRZSA-N 1 0 278.352 2.941 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000548768266 382979829 /nfs/dbraw/zinc/97/98/29/382979829.db2.gz WMHQOCDUOMISBG-RYUDHWBXSA-N 1 0 264.325 2.733 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@H](C)C[C@H]1C ZINC000548754379 382980345 /nfs/dbraw/zinc/98/03/45/382980345.db2.gz CEAXKFPZDSAUJQ-VXGBXAGGSA-N 1 0 291.351 2.715 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000579106164 382983442 /nfs/dbraw/zinc/98/34/42/382983442.db2.gz NJTUTDQLXXICNQ-UHFFFAOYSA-N 1 0 252.314 2.704 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](C)C1 ZINC000245405359 382998973 /nfs/dbraw/zinc/99/89/73/382998973.db2.gz SNKZXRDNIJAICU-VXGBXAGGSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000608886437 383133669 /nfs/dbraw/zinc/13/36/69/383133669.db2.gz VZPRIOVWJHEPAS-UHFFFAOYSA-N 1 0 293.367 2.820 20 5 CFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246637174 383088288 /nfs/dbraw/zinc/08/82/88/383088288.db2.gz WMZOCYKMPRBGOL-ABAIWWIYSA-N 1 0 292.335 2.541 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000339457851 383204522 /nfs/dbraw/zinc/20/45/22/383204522.db2.gz IACRCROSKCBRIU-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOCC1CC1 ZINC000449066944 383158663 /nfs/dbraw/zinc/15/86/63/383158663.db2.gz GXHWRSLLPAPLMX-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccs1 ZINC000449085549 383169143 /nfs/dbraw/zinc/16/91/43/383169143.db2.gz OFIORXNEETYSDT-JTQLQIEISA-N 1 0 277.349 2.772 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339581854 383251967 /nfs/dbraw/zinc/25/19/67/383251967.db2.gz DLKJLLBLTLFMRY-NWDGAFQWSA-N 1 0 252.289 2.883 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC1(C)C ZINC000520603875 383265020 /nfs/dbraw/zinc/26/50/20/383265020.db2.gz DKMJUOIBSKFRBA-ZDUSSCGKSA-N 1 0 291.351 2.620 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCOCC1 ZINC000449403855 383267679 /nfs/dbraw/zinc/26/76/79/383267679.db2.gz RQSKIUJXRYRBSQ-CYBMUJFWSA-N 1 0 290.363 2.852 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CCCO ZINC000449407583 383272705 /nfs/dbraw/zinc/27/27/05/383272705.db2.gz ILHFZOKFOYWLGT-GFAPJHNFSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000339494830 383216211 /nfs/dbraw/zinc/21/62/11/383216211.db2.gz MQCUNYJAAYFGFS-UHFFFAOYSA-N 1 0 288.351 2.662 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248326839 383223476 /nfs/dbraw/zinc/22/34/76/383223476.db2.gz CCWAIAIAWPFFNI-NEPJUHHUSA-N 1 0 264.325 2.704 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248337710 383224766 /nfs/dbraw/zinc/22/47/66/383224766.db2.gz HNYMPWZFXUWWIZ-NEPJUHHUSA-N 1 0 264.325 2.704 20 5 CFBDRO CC(C)CC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000519797889 383235274 /nfs/dbraw/zinc/23/52/74/383235274.db2.gz OTRMUAMWDBLLNX-CQSZACIVSA-N 1 0 292.379 2.750 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449356018 383235961 /nfs/dbraw/zinc/23/59/61/383235961.db2.gz FHRZYMOULOVFFB-OLZOCXBDSA-N 1 0 280.368 2.524 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000519825145 383239552 /nfs/dbraw/zinc/23/95/52/383239552.db2.gz ZTTWZXHIKCSRDV-XYPYZODXSA-N 1 0 282.315 2.878 20 5 CFBDRO CCC[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449375657 383245891 /nfs/dbraw/zinc/24/58/91/383245891.db2.gz JEAHJFOQLMAWJV-GXTWGEPZSA-N 1 0 280.368 2.931 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000249302686 383339141 /nfs/dbraw/zinc/33/91/41/383339141.db2.gz MATNIRZQFKNCEY-DYEKYZERSA-N 1 0 278.352 2.979 20 5 CFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000449504620 383341021 /nfs/dbraw/zinc/34/10/21/383341021.db2.gz QUCSNAMZISBGAC-NHYWBVRUSA-N 1 0 296.342 2.981 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000567994902 383343061 /nfs/dbraw/zinc/34/30/61/383343061.db2.gz XUYXITOYSQJFEZ-ZBFHGGJFSA-N 1 0 292.379 2.620 20 5 CFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449509756 383345046 /nfs/dbraw/zinc/34/50/46/383345046.db2.gz PBZMEQDAWXKKOV-HZPDHXFCSA-N 1 0 294.395 2.974 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCCCO ZINC000449424086 383283050 /nfs/dbraw/zinc/28/30/50/383283050.db2.gz CIWKRGOSSNSOFA-LBPRGKRZSA-N 1 0 296.367 2.634 20 5 CFBDRO CC(C)OC1CC([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459290488 383283474 /nfs/dbraw/zinc/28/34/74/383283474.db2.gz LIFAEOCREMDUDC-UHFFFAOYSA-N 1 0 278.352 2.983 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C1CC1 ZINC000449442006 383296082 /nfs/dbraw/zinc/29/60/82/383296082.db2.gz VAVRTOXQILTKRH-GHMZBOCLSA-N 1 0 291.351 2.700 20 5 CFBDRO Cc1ccc(C[NH2+]C2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000449446304 383298741 /nfs/dbraw/zinc/29/87/41/383298741.db2.gz QHGHYFOAAVZZGC-UHFFFAOYSA-N 1 0 282.315 2.512 20 5 CFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449513646 383348180 /nfs/dbraw/zinc/34/81/80/383348180.db2.gz WGXHAZVIYDPBQE-GDBMZVCRSA-N 1 0 294.395 2.974 20 5 CFBDRO Cc1cnc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])nc1 ZINC000340107326 383356538 /nfs/dbraw/zinc/35/65/38/383356538.db2.gz WIOXVEPAFOTGDT-GQCTYLIASA-N 1 0 298.346 2.539 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COCC1(C)C ZINC000449625491 383357797 /nfs/dbraw/zinc/35/77/97/383357797.db2.gz SMPHKIYFGLRUII-RISCZKNCSA-N 1 0 278.352 2.540 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000524619783 383376770 /nfs/dbraw/zinc/37/67/70/383376770.db2.gz JGFXUHGKLXHWBE-GHMZBOCLSA-N 1 0 264.325 2.834 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000252778921 383434989 /nfs/dbraw/zinc/43/49/89/383434989.db2.gz ZSOOVZJVRINNNE-MJVIPROJSA-N 1 0 266.341 2.795 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000568763274 383435037 /nfs/dbraw/zinc/43/50/37/383435037.db2.gz DOBYRUYIQJWFSI-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000484706448 383456577 /nfs/dbraw/zinc/45/65/77/383456577.db2.gz XEBNOAZTOOYOHS-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCCC[C@@H]1O)CC2 ZINC000569007231 383460657 /nfs/dbraw/zinc/46/06/57/383460657.db2.gz FMHAPKNEZJDEPE-CJNGLKHVSA-N 1 0 290.363 2.504 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000255114713 383476182 /nfs/dbraw/zinc/47/61/82/383476182.db2.gz JEBOHKIHTLCRFF-HJHHMULASA-N 1 0 276.336 2.719 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ccncc1[N+](=O)[O-] ZINC000340902911 383499686 /nfs/dbraw/zinc/49/96/86/383499686.db2.gz KJQZXAGTDQGIDI-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO Cc1ccc(C)c(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000429297216 383515648 /nfs/dbraw/zinc/51/56/48/383515648.db2.gz CUEGRTYPQVPLAU-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CC(F)F)cccc1[N+](=O)[O-] ZINC000429459065 383532580 /nfs/dbraw/zinc/53/25/80/383532580.db2.gz ZSWXAIHEFFKULU-VHSXEESVSA-N 1 0 288.294 2.570 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CC(F)F)cccc1[N+](=O)[O-] ZINC000429459063 383533266 /nfs/dbraw/zinc/53/32/66/383533266.db2.gz ZSWXAIHEFFKULU-NXEZZACHSA-N 1 0 288.294 2.570 20 5 CFBDRO Cc1ccc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000488536928 383556707 /nfs/dbraw/zinc/55/67/07/383556707.db2.gz XNSFCHPLYDHNMZ-MRXNPFEDSA-N 1 0 291.395 2.675 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770649 383567676 /nfs/dbraw/zinc/56/76/76/383567676.db2.gz KSXKGUBJEIILMA-NWDGAFQWSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H]1CC[C@H]([N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769392 383567931 /nfs/dbraw/zinc/56/79/31/383567931.db2.gz CPJPFXDNALULOE-BBRMVZONSA-N 1 0 292.379 2.620 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451540288 383638649 /nfs/dbraw/zinc/63/86/49/383638649.db2.gz GLLZJGOFQSELNP-XHDPSFHLSA-N 1 0 278.352 2.760 20 5 CFBDRO CC(C)(O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547136 383641051 /nfs/dbraw/zinc/64/10/51/383641051.db2.gz KGOQZDXXYQSWQF-AWEZNQCLSA-N 1 0 292.379 2.935 20 5 CFBDRO CC[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551778 383643900 /nfs/dbraw/zinc/64/39/00/383643900.db2.gz VGSOQOUKQVNKSM-ZFWWWQNUSA-N 1 0 278.352 2.545 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000570715280 383628710 /nfs/dbraw/zinc/62/87/10/383628710.db2.gz CNSUDSBOYMJNPG-MRXNPFEDSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCF ZINC000280966078 195048693 /nfs/dbraw/zinc/04/86/93/195048693.db2.gz IEADRMODQJKFAL-DGCLKSJQSA-N 1 0 266.316 2.865 20 5 CFBDRO Cc1cc(N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000264978825 383811254 /nfs/dbraw/zinc/81/12/54/383811254.db2.gz QQGSJQHCNXMGSX-UHFFFAOYSA-N 1 0 277.368 2.870 20 5 CFBDRO Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000531066111 383815323 /nfs/dbraw/zinc/81/53/23/383815323.db2.gz MLWJGOGSCNMSBB-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000573143642 383881269 /nfs/dbraw/zinc/88/12/69/383881269.db2.gz VKFRARMRNRBVHQ-YYYFKNSJSA-N 1 0 264.325 2.621 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCOC1 ZINC000573137097 383879048 /nfs/dbraw/zinc/87/90/48/383879048.db2.gz DTOVJCUWKKOQGO-SMDDNHRTSA-N 1 0 276.336 2.598 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000532577124 384048094 /nfs/dbraw/zinc/04/80/94/384048094.db2.gz CXZIUTSLALPHQD-JQWIXIFHSA-N 1 0 291.351 2.572 20 5 CFBDRO COC1([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412027266 533028013 /nfs/dbraw/zinc/02/80/13/533028013.db2.gz VJEINHKQKBGBKG-LBPRGKRZSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574624101 384123451 /nfs/dbraw/zinc/12/34/51/384123451.db2.gz AWOIXVVWKLFVHV-CJNGLKHVSA-N 1 0 289.379 2.731 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCCO1 ZINC000281111572 195107644 /nfs/dbraw/zinc/10/76/44/195107644.db2.gz BGRAWQUNHPJWQA-HNNXBMFYSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266746846 384231331 /nfs/dbraw/zinc/23/13/31/384231331.db2.gz BGMICIATTZVBKI-SRVKXCTJSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](C)C1 ZINC000266780851 384237318 /nfs/dbraw/zinc/23/73/18/384237318.db2.gz ZUPXWOVHMCAFMJ-VXGBXAGGSA-N 1 0 264.325 2.767 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000277440160 384302854 /nfs/dbraw/zinc/30/28/54/384302854.db2.gz DUYNUIBUHUPGTC-OAHLLOKOSA-N 1 0 289.379 2.701 20 5 CFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000267327879 384359779 /nfs/dbraw/zinc/35/97/79/384359779.db2.gz ZYNBKAWBEHLMFJ-UHFFFAOYSA-N 1 0 294.351 2.806 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000123784093 285110430 /nfs/dbraw/zinc/11/04/30/285110430.db2.gz XTJKIRRPFVKZAI-AWEZNQCLSA-N 1 0 290.363 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000375854280 285111292 /nfs/dbraw/zinc/11/12/92/285111292.db2.gz SWLCHLHEYOWATH-CQSZACIVSA-N 1 0 286.335 2.528 20 5 CFBDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000264548610 285114990 /nfs/dbraw/zinc/11/49/90/285114990.db2.gz YFQITKBCPGZWDD-CQSZACIVSA-N 1 0 299.330 2.863 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278312230 384524343 /nfs/dbraw/zinc/52/43/43/384524343.db2.gz WXOXQUPZCDOIHX-SNVBAGLBSA-N 1 0 281.312 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246615761 285118112 /nfs/dbraw/zinc/11/81/12/285118112.db2.gz JQKJOKMGTXOKLY-NHYWBVRUSA-N 1 0 294.326 2.735 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000279444287 384639423 /nfs/dbraw/zinc/63/94/23/384639423.db2.gz YWGPRKWMTVYCEC-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000269106433 384725096 /nfs/dbraw/zinc/72/50/96/384725096.db2.gz VFTYPKFVICRPGH-SMDDNHRTSA-N 1 0 293.342 2.654 20 5 CFBDRO CCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269675584 384829510 /nfs/dbraw/zinc/82/95/10/384829510.db2.gz PIWJONHXZVLZKQ-OAHLLOKOSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269843025 384880683 /nfs/dbraw/zinc/88/06/83/384880683.db2.gz RUHIHWLOOCOUFB-JQWIXIFHSA-N 1 0 298.770 2.984 20 5 CFBDRO CCC(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000280042952 384861037 /nfs/dbraw/zinc/86/10/37/384861037.db2.gz MMCRZUVKFVGTBH-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CCC(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000280058390 384869025 /nfs/dbraw/zinc/86/90/25/384869025.db2.gz OFLGJUMEKDJTTH-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)CCC2 ZINC000193306931 285143940 /nfs/dbraw/zinc/14/39/40/285143940.db2.gz WYSGDJVWMGHNPD-ARFHVFGLSA-N 1 0 290.363 2.865 20 5 CFBDRO Cc1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000269944212 384912540 /nfs/dbraw/zinc/91/25/40/384912540.db2.gz PTDPGXZWFSDHPX-UHFFFAOYSA-N 1 0 275.352 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)CCC2 ZINC000332222465 285144553 /nfs/dbraw/zinc/14/45/53/285144553.db2.gz MXMBCLKJDPNVRV-NOLJZWGESA-N 1 0 290.363 2.865 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270071935 384966413 /nfs/dbraw/zinc/96/64/13/384966413.db2.gz IEIAERBDCYOLJP-ZLDLUXBVSA-N 1 0 278.352 2.749 20 5 CFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000270290590 385043099 /nfs/dbraw/zinc/04/30/99/385043099.db2.gz ODILAQNFSPUXOZ-ZBFHGGJFSA-N 1 0 298.346 2.847 20 5 CFBDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281251599 385187674 /nfs/dbraw/zinc/18/76/74/385187674.db2.gz VZMHUTQDWXMVIV-ZDUSSCGKSA-N 1 0 275.352 2.507 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000493338000 285154186 /nfs/dbraw/zinc/15/41/86/285154186.db2.gz QGQZCGYQLAKBHO-AWEZNQCLSA-N 1 0 296.754 2.861 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000271133197 385346501 /nfs/dbraw/zinc/34/65/01/385346501.db2.gz ASDFGJSNVYIPKH-OAHLLOKOSA-N 1 0 278.352 2.722 20 5 CFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651974 385361704 /nfs/dbraw/zinc/36/17/04/385361704.db2.gz CIYVZMQRAHZIMJ-HUUCEWRRSA-N 1 0 296.342 2.859 20 5 CFBDRO CC1(C)SC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000282953079 385415526 /nfs/dbraw/zinc/41/55/26/385415526.db2.gz XWSFGVBPVWEZLE-MRVPVSSYSA-N 1 0 258.368 2.640 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000283293981 385453822 /nfs/dbraw/zinc/45/38/22/385453822.db2.gz YCVRJEZRCZNGDU-DGCLKSJQSA-N 1 0 295.358 2.648 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccnc1 ZINC000284146963 385541165 /nfs/dbraw/zinc/54/11/65/385541165.db2.gz PBMNXTMONIMPFM-WDEREUQCSA-N 1 0 286.335 2.984 20 5 CFBDRO CC(C)[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284019896 385525054 /nfs/dbraw/zinc/52/50/54/385525054.db2.gz OHMUPHMKDYXNFF-HNNXBMFYSA-N 1 0 278.352 2.576 20 5 CFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000272623674 385578405 /nfs/dbraw/zinc/57/84/05/385578405.db2.gz YVDTVOSWCVQGBU-NWDGAFQWSA-N 1 0 284.381 2.639 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CC[NH+](C)C ZINC000286384127 385605488 /nfs/dbraw/zinc/60/54/88/385605488.db2.gz SRPQVYNAHWAYCL-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@H]1CCC[C@@H](CO)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272681216 385586723 /nfs/dbraw/zinc/58/67/23/385586723.db2.gz RYQYGTYYDVVORQ-GWCFXTLKSA-N 1 0 298.770 2.984 20 5 CFBDRO C[N@H+](CCOC1CCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000286753584 385703683 /nfs/dbraw/zinc/70/36/83/385703683.db2.gz FLTCQPOENPVUET-UHFFFAOYSA-N 1 0 278.352 2.638 20 5 CFBDRO COc1cc(CN2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000274350673 385773361 /nfs/dbraw/zinc/77/33/61/385773361.db2.gz XAOUTPBKOXVZFH-VIFPVBQESA-N 1 0 268.288 2.584 20 5 CFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000287107695 385782527 /nfs/dbraw/zinc/78/25/27/385782527.db2.gz WOSRIGHPMYXGEG-XJKSGUPXSA-N 1 0 289.379 2.653 20 5 CFBDRO CC[C@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000322494276 270295871 /nfs/dbraw/zinc/29/58/71/270295871.db2.gz DGBSVMVZCOERFL-LLVKDONJSA-N 1 0 258.343 2.561 20 5 CFBDRO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423253603 533430629 /nfs/dbraw/zinc/43/06/29/533430629.db2.gz ZCEWJQRILJYFBI-WBMJQRKESA-N 1 0 285.347 2.945 20 5 CFBDRO COc1ccc(C[NH2+]C[C@@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000418090419 533665612 /nfs/dbraw/zinc/66/56/12/533665612.db2.gz CPHPBPKSFMFGMN-CYBMUJFWSA-N 1 0 296.367 2.754 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341983693 130170047 /nfs/dbraw/zinc/17/00/47/130170047.db2.gz UNZFUKQRMUFQSV-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342050657 130222240 /nfs/dbraw/zinc/22/22/40/130222240.db2.gz RNBABLXQIGUVEL-HNNXBMFYSA-N 1 0 292.379 2.764 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191639137 130268318 /nfs/dbraw/zinc/26/83/18/130268318.db2.gz PDBXFXBTFQKKLO-QJPTWQEYSA-N 1 0 266.341 2.977 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191647519 130269740 /nfs/dbraw/zinc/26/97/40/130269740.db2.gz NNPGTHVTMJHBNU-DCAQKATOSA-N 1 0 252.314 2.669 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2(F)CCC2)c1 ZINC000342217443 130391431 /nfs/dbraw/zinc/39/14/31/130391431.db2.gz RCFAIMRAIRNRPM-UHFFFAOYSA-N 1 0 252.289 2.967 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCCCCO)cccc1[N+](=O)[O-] ZINC000192935571 130565593 /nfs/dbraw/zinc/56/55/93/130565593.db2.gz JDFPHVJPPWIECC-LBPRGKRZSA-N 1 0 266.341 2.716 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000248534346 131115755 /nfs/dbraw/zinc/11/57/55/131115755.db2.gz VGHCYRMVDNDIJV-MISXGVKJSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000267295339 131850914 /nfs/dbraw/zinc/85/09/14/131850914.db2.gz SLFQXOXEVGHGSV-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[C@H]([NH2+]CCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268782897 132065806 /nfs/dbraw/zinc/06/58/06/132065806.db2.gz CRTULGMKFXXWNU-HNNXBMFYSA-N 1 0 288.351 2.841 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268869012 132080064 /nfs/dbraw/zinc/08/00/64/132080064.db2.gz TZFBCAWUZHISRN-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000268877756 132081745 /nfs/dbraw/zinc/08/17/45/132081745.db2.gz ZEZWTBTUXBHPFW-LBPRGKRZSA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179953814 393473743 /nfs/dbraw/zinc/47/37/43/393473743.db2.gz MVLPUBFCNHZDCZ-LRDDRELGSA-N 1 0 286.331 2.655 20 5 CFBDRO CC(C)COCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020147346 393485693 /nfs/dbraw/zinc/48/56/93/393485693.db2.gz ITEMZVCDMHLWJW-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000180966102 393487074 /nfs/dbraw/zinc/48/70/74/393487074.db2.gz SQKMNAVOQUTBFT-CQSZACIVSA-N 1 0 292.314 2.671 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000181070823 393488555 /nfs/dbraw/zinc/48/85/55/393488555.db2.gz SRRSWMLAPJPFLH-RDBSUJKOSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H]1C[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000408146364 393624369 /nfs/dbraw/zinc/62/43/69/393624369.db2.gz ZFMMOBFFZQXRQG-CHWSQXEVSA-N 1 0 290.363 2.768 20 5 CFBDRO COc1cc(NCC2([NH+](C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000218907245 393759345 /nfs/dbraw/zinc/75/93/45/393759345.db2.gz YZVUPYGHMLWJBF-UHFFFAOYSA-N 1 0 297.330 2.639 20 5 CFBDRO Cc1c(C[N@H+](C)CCOCC2CC2)cccc1[N+](=O)[O-] ZINC000088601528 393763790 /nfs/dbraw/zinc/76/37/90/393763790.db2.gz ROSGAXMEABNWNI-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000414765415 393804550 /nfs/dbraw/zinc/80/45/50/393804550.db2.gz FUTYKWSURZLCRY-HNLSUCLVSA-N 1 0 289.379 2.667 20 5 CFBDRO C[C@@H]1SCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000118415777 393911003 /nfs/dbraw/zinc/91/10/03/393911003.db2.gz AMDOJGITLYVHAJ-QWRGUYRKSA-N 1 0 266.366 2.921 20 5 CFBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000111128542 393883487 /nfs/dbraw/zinc/88/34/87/393883487.db2.gz MLYQFLWPMHODIO-UHFFFAOYSA-N 1 0 260.293 2.736 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@H](C)C1 ZINC000470172702 393899056 /nfs/dbraw/zinc/89/90/56/393899056.db2.gz AJTIZBGOCLLENA-YLHGKKIISA-N 1 0 290.363 2.966 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000119720359 393923841 /nfs/dbraw/zinc/92/38/41/393923841.db2.gz YMGGRGDQGRHIOK-PXYYCUNGSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000251548304 393932359 /nfs/dbraw/zinc/93/23/59/393932359.db2.gz PYEAFUUMGYGPRW-BJJXKVORSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000252647882 393937682 /nfs/dbraw/zinc/93/76/82/393937682.db2.gz UVKVZUSXEAUBKQ-IHRRRGAJSA-N 1 0 289.379 2.872 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N2CCc3c[nH+]ccc32)c(F)c1 ZINC000121752030 393959505 /nfs/dbraw/zinc/95/95/05/393959505.db2.gz YESBNOFXEDJJQX-UHFFFAOYSA-N 1 0 277.230 2.962 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213686 393969083 /nfs/dbraw/zinc/96/90/83/393969083.db2.gz UWNZOEVYKKAPLR-GFCCVEGCSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000430225464 393970630 /nfs/dbraw/zinc/97/06/30/393970630.db2.gz XZOTWRWQZQQGLO-KBPBESRZSA-N 1 0 294.351 2.651 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000430228255 393970945 /nfs/dbraw/zinc/97/09/45/393970945.db2.gz RRTJREXMMNKIFG-MNOVXSKESA-N 1 0 264.325 2.834 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268881415 393995943 /nfs/dbraw/zinc/99/59/43/393995943.db2.gz LRYSVRBNFVDHTN-MISXGVKJSA-N 1 0 266.341 2.652 20 5 CFBDRO CN(C)C(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278228942 394059834 /nfs/dbraw/zinc/05/98/34/394059834.db2.gz JYCSYSCNCZITTK-OAHLLOKOSA-N 1 0 291.395 2.902 20 5 CFBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000492434369 394068210 /nfs/dbraw/zinc/06/82/10/394068210.db2.gz CGVPSGHFANVAOD-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO CC[NH2+]CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420171440 394088330 /nfs/dbraw/zinc/08/83/30/394088330.db2.gz ZTCAITPNFDDZPQ-UHFFFAOYSA-N 1 0 278.139 2.923 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358178208 394097200 /nfs/dbraw/zinc/09/72/00/394097200.db2.gz PZXVQUDKKIHVJK-QWHCGFSZSA-N 1 0 280.368 2.931 20 5 CFBDRO CC(C)[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487966636 394034213 /nfs/dbraw/zinc/03/42/13/394034213.db2.gz XFPZFTKDXSETPR-HNNXBMFYSA-N 1 0 295.358 2.506 20 5 CFBDRO CC[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000419220988 394034227 /nfs/dbraw/zinc/03/42/27/394034227.db2.gz AJTNVYHWDQUHED-OAHLLOKOSA-N 1 0 278.352 2.984 20 5 CFBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000286011248 394179239 /nfs/dbraw/zinc/17/92/39/394179239.db2.gz FDNGOYJIIMUGCQ-NWDGAFQWSA-N 1 0 292.383 2.709 20 5 CFBDRO CC(=O)c1ccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420276405 394114059 /nfs/dbraw/zinc/11/40/59/394114059.db2.gz HLEJEGARXKMMRR-YPMHNXCESA-N 1 0 291.351 2.727 20 5 CFBDRO COCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000282082741 394120664 /nfs/dbraw/zinc/12/06/64/394120664.db2.gz RHOVWAFZALXZCO-UHFFFAOYSA-N 1 0 270.354 2.563 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCC1(O)CCC1 ZINC000421373644 394207455 /nfs/dbraw/zinc/20/74/55/394207455.db2.gz MUUIPUJLTRWVFO-CLTKARDFSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCCCO)C1CC1 ZINC000135219892 394212447 /nfs/dbraw/zinc/21/24/47/394212447.db2.gz JBNNYXWZUPZZCH-UHFFFAOYSA-N 1 0 278.352 2.722 20 5 CFBDRO CC[C@@H](C)N(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118615 394218939 /nfs/dbraw/zinc/21/89/39/394218939.db2.gz TXWNDBSUBPCIIO-ZIAGYGMSSA-N 1 0 293.411 2.846 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCOCC1 ZINC000449144774 394228787 /nfs/dbraw/zinc/22/87/87/394228787.db2.gz UHRUYGTUEHSTHJ-ZDUSSCGKSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000449171604 394240177 /nfs/dbraw/zinc/24/01/77/394240177.db2.gz LEPMDNGRTWTEBN-IPYPFGDCSA-N 1 0 291.395 2.598 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccncc1 ZINC000449183198 394245581 /nfs/dbraw/zinc/24/55/81/394245581.db2.gz FAPQVZSUAANZBP-ZDUSSCGKSA-N 1 0 285.347 2.753 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC23CCCCC3)c1 ZINC000449194448 394248993 /nfs/dbraw/zinc/24/89/93/394248993.db2.gz PCQMPFJXMDDZFR-CQSZACIVSA-N 1 0 292.383 2.884 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(C)(C)C ZINC000449212505 394253080 /nfs/dbraw/zinc/25/30/80/394253080.db2.gz SYUAEWNKCJTZFC-GXTWGEPZSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000449245650 394265775 /nfs/dbraw/zinc/26/57/75/394265775.db2.gz BSVDLOROYCQJJB-MGPQQGTHSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292867940 394277831 /nfs/dbraw/zinc/27/78/31/394277831.db2.gz STPUHMCVDJENBD-MRXNPFEDSA-N 1 0 289.379 2.825 20 5 CFBDRO CC[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000153581991 394286658 /nfs/dbraw/zinc/28/66/58/394286658.db2.gz RSORYNPHPIJIDV-LLVKDONJSA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1ccc([C@@H](C)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423516078 394288546 /nfs/dbraw/zinc/28/85/46/394288546.db2.gz AOTKIOOQUUFSGL-GFCCVEGCSA-N 1 0 277.368 2.696 20 5 CFBDRO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423526029 394290119 /nfs/dbraw/zinc/29/01/19/394290119.db2.gz KWVCUKXMQUWPKQ-IAQYHMDHSA-N 1 0 277.368 2.763 20 5 CFBDRO CCOc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494239535 394346259 /nfs/dbraw/zinc/34/62/59/394346259.db2.gz YCEOIWIMRVHMRI-ABAIWWIYSA-N 1 0 294.351 2.651 20 5 CFBDRO CCOc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494239536 394346331 /nfs/dbraw/zinc/34/63/31/394346331.db2.gz YCEOIWIMRVHMRI-IAQYHMDHSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@]1(O)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198286 394362274 /nfs/dbraw/zinc/36/22/74/394362274.db2.gz ALQMEQRHCGHJSB-SMDDNHRTSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)CO ZINC000451242594 394370109 /nfs/dbraw/zinc/37/01/09/394370109.db2.gz IZILCCCZUITXSX-LLVKDONJSA-N 1 0 266.341 2.606 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C(C)(C)C ZINC000519642015 394373205 /nfs/dbraw/zinc/37/32/05/394373205.db2.gz HUOKZZLABFIVMR-UHFFFAOYSA-N 1 0 293.367 2.962 20 5 CFBDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451292272 394374344 /nfs/dbraw/zinc/37/43/44/394374344.db2.gz SMUFTBZWXUFONX-AWEZNQCLSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1ccc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000175066451 394380373 /nfs/dbraw/zinc/38/03/73/394380373.db2.gz YJVVLMJOXAULIE-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314247 394384379 /nfs/dbraw/zinc/38/43/79/394384379.db2.gz YBTRMXMUMWSGEE-RQJABVFESA-N 1 0 292.383 2.911 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453314244 394384458 /nfs/dbraw/zinc/38/44/58/394384458.db2.gz YBTRMXMUMWSGEE-RFGFWPKPSA-N 1 0 292.383 2.911 20 5 CFBDRO CCn1ccnc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000453330162 394386241 /nfs/dbraw/zinc/38/62/41/394386241.db2.gz UUZVAGVZOOKAFE-GFCCVEGCSA-N 1 0 288.351 2.532 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000178172165 394386543 /nfs/dbraw/zinc/38/65/43/394386543.db2.gz XCOLLKDOWXBVNM-WCQYABFASA-N 1 0 292.383 2.831 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000178469093 394388270 /nfs/dbraw/zinc/38/82/70/394388270.db2.gz IFVWVUPAUGOPPH-LBPRGKRZSA-N 1 0 280.368 2.931 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](CC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000453397324 394396054 /nfs/dbraw/zinc/39/60/54/394396054.db2.gz IEQKYPYKUYVOJJ-ZIAGYGMSSA-N 1 0 293.367 2.550 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453406023 394398505 /nfs/dbraw/zinc/39/85/05/394398505.db2.gz KHPNBBMBYVTYJS-MPKXVKKWSA-N 1 0 294.351 2.558 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C(C)C ZINC000537983005 394597529 /nfs/dbraw/zinc/59/75/29/394597529.db2.gz TUJSWCQBIQCTEC-FZMZJTMJSA-N 1 0 266.341 2.571 20 5 CFBDRO COc1cc(C[NH2+]CC2CC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000547716892 394883580 /nfs/dbraw/zinc/88/35/80/394883580.db2.gz LXTUCJMBDKALMX-UHFFFAOYSA-N 1 0 294.351 2.835 20 5 CFBDRO CC1(C)CC[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)O1 ZINC000547833706 394895172 /nfs/dbraw/zinc/89/51/72/394895172.db2.gz WFGZHFHURJMXMX-CYBMUJFWSA-N 1 0 290.363 2.911 20 5 CFBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000548160131 394915790 /nfs/dbraw/zinc/91/57/90/394915790.db2.gz WAOQJBRENWIDGY-RYUDHWBXSA-N 1 0 280.372 2.777 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000554658772 394955254 /nfs/dbraw/zinc/95/52/54/394955254.db2.gz QQUPWYNFFKZXHC-YNEHKIRRSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000556083106 394989110 /nfs/dbraw/zinc/98/91/10/394989110.db2.gz IPAMSGQZACYLRB-LBPRGKRZSA-N 1 0 277.368 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000171706431 296503406 /nfs/dbraw/zinc/50/34/06/296503406.db2.gz HZBVDZCXYKPLDS-MRXNPFEDSA-N 1 0 289.379 2.655 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000356172389 155177160 /nfs/dbraw/zinc/17/71/60/155177160.db2.gz NRGOEXKXNWNNHV-SNVBAGLBSA-N 1 0 296.346 2.602 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000356172381 155177223 /nfs/dbraw/zinc/17/72/23/155177223.db2.gz NRGOEXKXNWNNHV-JTQLQIEISA-N 1 0 296.346 2.602 20 5 CFBDRO C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)c1cccc([N+](=O)[O-])c1 ZINC000356184077 155178927 /nfs/dbraw/zinc/17/89/27/155178927.db2.gz UBJBJYIZPPVJRQ-SNVBAGLBSA-N 1 0 297.318 2.669 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000037154580 292196369 /nfs/dbraw/zinc/19/63/69/292196369.db2.gz HQBSEMKBUCPPFH-QWHCGFSZSA-N 1 0 288.351 2.839 20 5 CFBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464695807 286220832 /nfs/dbraw/zinc/22/08/32/286220832.db2.gz WJSGQWGGHARNPM-ZJUUUORDSA-N 1 0 282.315 2.973 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000343386069 154193551 /nfs/dbraw/zinc/19/35/51/154193551.db2.gz MJNXJMNDQWERIQ-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000348134164 154335132 /nfs/dbraw/zinc/33/51/32/154335132.db2.gz FSWXVBBCASGQFF-AAEUAGOBSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348148138 154340529 /nfs/dbraw/zinc/34/05/29/154340529.db2.gz QWVWGZXXZSYNIA-QWRGUYRKSA-N 1 0 282.315 2.639 20 5 CFBDRO CN(C)c1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000356932535 155429310 /nfs/dbraw/zinc/42/93/10/155429310.db2.gz YQAIBJPCFDZGNJ-UHFFFAOYSA-N 1 0 299.374 2.993 20 5 CFBDRO CCCCC[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362949732 156123302 /nfs/dbraw/zinc/12/33/02/156123302.db2.gz SIACLWLBWGBUJQ-CYBMUJFWSA-N 1 0 280.372 2.836 20 5 CFBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362959308 156126918 /nfs/dbraw/zinc/12/69/18/156126918.db2.gz XPMGBVXVJCSSRZ-RYUDHWBXSA-N 1 0 280.372 2.729 20 5 CFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC12CCC2 ZINC000366775675 156237864 /nfs/dbraw/zinc/23/78/64/156237864.db2.gz KZNNJBSDWRKRGX-UHFFFAOYSA-N 1 0 276.336 2.992 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000366841511 156246169 /nfs/dbraw/zinc/24/61/69/156246169.db2.gz AVMBPTHEHWRGGK-AWEZNQCLSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)SCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366998007 156264470 /nfs/dbraw/zinc/26/44/70/156264470.db2.gz UWRDXKAGVWMDIU-UHFFFAOYSA-N 1 0 298.412 2.570 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000367705103 156379752 /nfs/dbraw/zinc/37/97/52/156379752.db2.gz GNNXZUVUMQSBDT-XQLPTFJDSA-N 1 0 276.336 2.528 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372409821 156885559 /nfs/dbraw/zinc/88/55/59/156885559.db2.gz UXXHWCGGLDXCHY-GFCCVEGCSA-N 1 0 291.351 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373909988 157045545 /nfs/dbraw/zinc/04/55/45/157045545.db2.gz MMYXBSQYHJRELQ-MLGOLLRUSA-N 1 0 290.363 2.811 20 5 CFBDRO CO[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374681789 157148830 /nfs/dbraw/zinc/14/88/30/157148830.db2.gz WXWSSVRLOGHRII-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000375119679 157198112 /nfs/dbraw/zinc/19/81/12/157198112.db2.gz FHTPJAHBRMZMJQ-JKSUJKDBSA-N 1 0 290.363 2.890 20 5 CFBDRO Cc1c(CN2CC(C)(C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408360828 157394822 /nfs/dbraw/zinc/39/48/22/157394822.db2.gz ZONUZNZCVNFRJD-NSHDSACASA-N 1 0 278.352 2.903 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000344090310 161937934 /nfs/dbraw/zinc/93/79/34/161937934.db2.gz MBTKSSOQIIGFFJ-KGLIPLIRSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000344301405 162000921 /nfs/dbraw/zinc/00/09/21/162000921.db2.gz KFQOIYVWYQALEB-IINYFYTJSA-N 1 0 297.786 2.821 20 5 CFBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])nc1 ZINC000344429543 162042451 /nfs/dbraw/zinc/04/24/51/162042451.db2.gz BEDWDLANTUPVJJ-UHFFFAOYSA-N 1 0 266.345 2.524 20 5 CFBDRO CO[C@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344789233 162122335 /nfs/dbraw/zinc/12/23/35/162122335.db2.gz GZMMUKOHNRUEBY-YTRUQHMWSA-N 1 0 264.325 2.623 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H](C)O ZINC000344796991 162124764 /nfs/dbraw/zinc/12/47/64/162124764.db2.gz PBPBAHZZSDYSJH-MENMGGHXSA-N 1 0 278.352 2.747 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000344828353 162131335 /nfs/dbraw/zinc/13/13/35/162131335.db2.gz PSCDFNVPWPWHJL-MEJTZIMASA-N 1 0 290.363 2.749 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCC1 ZINC000344843222 162133118 /nfs/dbraw/zinc/13/31/18/162133118.db2.gz FNBIKSMMHJHFHW-XYOKQWHBSA-N 1 0 276.336 2.503 20 5 CFBDRO CC[C@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344857536 162134459 /nfs/dbraw/zinc/13/44/59/162134459.db2.gz MDOIINJKGPBPII-JQVXPOPVSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cs1 ZINC000344931279 162150063 /nfs/dbraw/zinc/15/00/63/162150063.db2.gz QIGGFRRCJCCCLK-CYZMBNFOSA-N 1 0 294.376 2.704 20 5 CFBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000346830885 162528811 /nfs/dbraw/zinc/52/88/11/162528811.db2.gz PLJRZKMXBAVBGY-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000348470705 162856333 /nfs/dbraw/zinc/85/63/33/162856333.db2.gz RKHJZNROGRXQOM-CYBMUJFWSA-N 1 0 296.367 2.754 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349830026 163020961 /nfs/dbraw/zinc/02/09/61/163020961.db2.gz QGYSAROHUZHQIX-OTDNITJGSA-N 1 0 284.743 2.665 20 5 CFBDRO CC(C)c1ccc(C[N@@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000350050743 163053490 /nfs/dbraw/zinc/05/34/90/163053490.db2.gz FZTJEHDSDXCZKB-UHFFFAOYSA-N 1 0 280.368 2.921 20 5 CFBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350240923 163067342 /nfs/dbraw/zinc/06/73/42/163067342.db2.gz CJVBGGCBMPHVRP-FZMZJTMJSA-N 1 0 282.315 2.639 20 5 CFBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350311718 163072421 /nfs/dbraw/zinc/07/24/21/163072421.db2.gz JYAKUSCXUUPOPW-PWSUYJOCSA-N 1 0 284.331 2.621 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(O)cc2)c(F)c1 ZINC000350617802 163093707 /nfs/dbraw/zinc/09/37/07/163093707.db2.gz ISCAVPCTARTYHH-UHFFFAOYSA-N 1 0 290.294 2.772 20 5 CFBDRO C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603406 163155718 /nfs/dbraw/zinc/15/57/18/163155718.db2.gz LEPBWBFKIYTFOM-QZPNVGJNSA-N 1 0 273.292 2.947 20 5 CFBDRO Cc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000351767197 163190360 /nfs/dbraw/zinc/19/03/60/163190360.db2.gz UHSDLUNZRYLPSD-UHFFFAOYSA-N 1 0 286.335 2.718 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352780462 163231902 /nfs/dbraw/zinc/23/19/02/163231902.db2.gz UMLRHZYJNVGHFR-ZDUSSCGKSA-N 1 0 276.336 2.835 20 5 CFBDRO COc1cc(C[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000352780792 163233198 /nfs/dbraw/zinc/23/31/98/163233198.db2.gz VSJPNWODYYHSCS-UHFFFAOYSA-N 1 0 262.309 2.755 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352890219 163261890 /nfs/dbraw/zinc/26/18/90/163261890.db2.gz XELYJDZAXBJBKY-OAHLLOKOSA-N 1 0 296.342 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000353009335 163286356 /nfs/dbraw/zinc/28/63/56/163286356.db2.gz QIETVPIHBCFLRR-LLVKDONJSA-N 1 0 286.278 2.656 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353091789 163304447 /nfs/dbraw/zinc/30/44/47/163304447.db2.gz IGCTUILLQQHHAG-GFCCVEGCSA-N 1 0 297.374 2.944 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000353093612 163306444 /nfs/dbraw/zinc/30/64/44/163306444.db2.gz MKFCKPMBTUSERF-LLVKDONJSA-N 1 0 283.347 2.552 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000353755932 163444652 /nfs/dbraw/zinc/44/46/52/163444652.db2.gz TUSBMWHUSFRPDJ-YPMHNXCESA-N 1 0 297.424 2.961 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369381964 287144737 /nfs/dbraw/zinc/14/47/37/287144737.db2.gz TZZABYXSABNTAR-CLJRNHLWSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[C@H]([NH2+]CCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000284506727 196071618 /nfs/dbraw/zinc/07/16/18/196071618.db2.gz YBYCIQJAWFGHLP-AWEZNQCLSA-N 1 0 278.352 2.941 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000284514693 196074433 /nfs/dbraw/zinc/07/44/33/196074433.db2.gz YSHPVKXSDQWHRK-GFCCVEGCSA-N 1 0 278.352 2.859 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000020121668 171001004 /nfs/dbraw/zinc/00/10/04/171001004.db2.gz KPNUFNRELYLENP-LLVKDONJSA-N 1 0 257.293 2.841 20 5 CFBDRO COc1ccc(C[NH2+]CCC(C)C)cc1[N+](=O)[O-] ZINC000020566667 171254753 /nfs/dbraw/zinc/25/47/53/171254753.db2.gz JEVXVMXUGISALC-UHFFFAOYSA-N 1 0 252.314 2.739 20 5 CFBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)O ZINC000284972169 196167707 /nfs/dbraw/zinc/16/77/07/196167707.db2.gz FUJLIGZQMMDMLZ-YGRLFVJLSA-N 1 0 295.383 2.623 20 5 CFBDRO CC(C)[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000034993930 171921369 /nfs/dbraw/zinc/92/13/69/171921369.db2.gz OBIQSJSOPRGMAH-UHFFFAOYSA-N 1 0 263.341 2.880 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107398 196198376 /nfs/dbraw/zinc/19/83/76/196198376.db2.gz KQJKPOXDHYBAEZ-ZJUUUORDSA-N 1 0 281.381 2.581 20 5 CFBDRO C[N@H+](CCc1ccccn1)CCc1ccccc1[N+](=O)[O-] ZINC000285355993 196259630 /nfs/dbraw/zinc/25/96/30/196259630.db2.gz PXHMFVXMERXMHF-UHFFFAOYSA-N 1 0 285.347 2.707 20 5 CFBDRO C[NH+](C)C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000036192025 172503747 /nfs/dbraw/zinc/50/37/47/172503747.db2.gz SIIAGILSMUTBQA-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CCOC1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000285443999 196285601 /nfs/dbraw/zinc/28/56/01/196285601.db2.gz IJXHPMDVOHHNIP-UHFFFAOYSA-N 1 0 290.363 2.986 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000285459781 196290746 /nfs/dbraw/zinc/29/07/46/196290746.db2.gz TZRJSLBDGRGQNL-BETUJISGSA-N 1 0 264.325 2.512 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037176918 173010502 /nfs/dbraw/zinc/01/05/02/173010502.db2.gz FYBFZYAOPDFQLX-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000038028737 174018525 /nfs/dbraw/zinc/01/85/25/174018525.db2.gz OHICSNKWMYZVMS-CYBMUJFWSA-N 1 0 277.368 2.559 20 5 CFBDRO CC(C)C[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079434 174089413 /nfs/dbraw/zinc/08/94/13/174089413.db2.gz PRAKDAUZXPCDRW-LBPRGKRZSA-N 1 0 266.341 2.998 20 5 CFBDRO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038095957 174110380 /nfs/dbraw/zinc/11/03/80/174110380.db2.gz WSSSDIQNMRZEBF-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040503269 174299860 /nfs/dbraw/zinc/29/98/60/174299860.db2.gz OXBZCPCPMHUNFA-JTQLQIEISA-N 1 0 267.304 2.630 20 5 CFBDRO C[C@@H]1CCC[C@](CNc2ccncc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000040670258 174368454 /nfs/dbraw/zinc/36/84/54/174368454.db2.gz UKMHYLQGQVRZTG-DOMZBBRYSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc(O)cc1 ZINC000040735776 174389130 /nfs/dbraw/zinc/38/91/30/174389130.db2.gz HYHUJXVXWCZWDI-UHFFFAOYSA-N 1 0 272.304 2.633 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(O)cc2)cc1 ZINC000040735773 174389271 /nfs/dbraw/zinc/38/92/71/174389271.db2.gz UBQWHBSCYRYKGK-UHFFFAOYSA-N 1 0 272.304 2.633 20 5 CFBDRO CCn1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000044500171 175185182 /nfs/dbraw/zinc/18/51/82/175185182.db2.gz KBWDBORJPOKQNR-GFCCVEGCSA-N 1 0 288.351 2.705 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044572617 175210336 /nfs/dbraw/zinc/21/03/36/175210336.db2.gz ABMYWOAWWWWLKI-JTQLQIEISA-N 1 0 267.304 2.629 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000517342533 260149075 /nfs/dbraw/zinc/14/90/75/260149075.db2.gz DBSBRXOPXPDRCB-ZIAGYGMSSA-N 1 0 289.379 2.729 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000313019409 260235711 /nfs/dbraw/zinc/23/57/11/260235711.db2.gz DENOYTSMRLARAK-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC2CCCC2)cs1 ZINC000313261082 260273375 /nfs/dbraw/zinc/27/33/75/260273375.db2.gz HYVOUDMUYPDLLR-UHFFFAOYSA-N 1 0 284.381 2.953 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308364990 270288624 /nfs/dbraw/zinc/28/86/24/270288624.db2.gz KGQLBNPEWPPHFK-CABCVRRESA-N 1 0 290.363 2.685 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514953423 270359279 /nfs/dbraw/zinc/35/92/79/270359279.db2.gz WJIYCUJSPUDZLY-DOMZBBRYSA-N 1 0 291.395 2.902 20 5 CFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2CCC[C@H]2F)n1 ZINC000516776960 270388034 /nfs/dbraw/zinc/38/80/34/270388034.db2.gz GQZXLDARYFLRLY-XQHKEYJVSA-N 1 0 296.346 2.755 20 5 CFBDRO CC[C@H]([NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423482955 273750250 /nfs/dbraw/zinc/75/02/50/273750250.db2.gz XNOFHDOANRIXQV-IINYFYTJSA-N 1 0 277.368 2.644 20 5 CFBDRO COCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417302300 274021690 /nfs/dbraw/zinc/02/16/90/274021690.db2.gz QYPKVYZRWAFHTB-HNNXBMFYSA-N 1 0 278.352 2.988 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420368294 274309025 /nfs/dbraw/zinc/30/90/25/274309025.db2.gz NNELPFHLYDKOOO-BFVZDQMLSA-N 1 0 297.786 2.724 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278629391 274379858 /nfs/dbraw/zinc/37/98/58/274379858.db2.gz GVXWBZTZYOSVGK-RLCCDNCMSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000287314971 275035875 /nfs/dbraw/zinc/03/58/75/275035875.db2.gz NLQYQNKGTQIVNS-GFCCVEGCSA-N 1 0 293.754 2.699 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286049162 275656700 /nfs/dbraw/zinc/65/67/00/275656700.db2.gz ARBMSCUONMZCDG-UHFFFAOYSA-N 1 0 281.331 2.701 20 5 CFBDRO CCC(CC)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453581098 275955573 /nfs/dbraw/zinc/95/55/73/275955573.db2.gz URMDCHGSPJYEKF-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CC(C)[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488011663 276032606 /nfs/dbraw/zinc/03/26/06/276032606.db2.gz RVKJYQQLGYTOOK-XJKSGUPXSA-N 1 0 291.395 2.928 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000236658229 276053628 /nfs/dbraw/zinc/05/36/28/276053628.db2.gz MMAOXBXHWJUAKA-CYBMUJFWSA-N 1 0 278.352 2.987 20 5 CFBDRO CC[NH+](CC)CCOCCNc1c(F)cccc1[N+](=O)[O-] ZINC000342844423 276100123 /nfs/dbraw/zinc/10/01/23/276100123.db2.gz VTNAKZDWLGYACO-UHFFFAOYSA-N 1 0 299.346 2.504 20 5 CFBDRO CCC(CC)[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289552469 276210315 /nfs/dbraw/zinc/21/03/15/276210315.db2.gz XGLNSFXECJNXNU-UHFFFAOYSA-N 1 0 293.367 2.704 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266639948 276308149 /nfs/dbraw/zinc/30/81/49/276308149.db2.gz TUQDBZWNHYKNDL-ZIAGYGMSSA-N 1 0 291.395 2.929 20 5 CFBDRO CCOCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433165308 276325843 /nfs/dbraw/zinc/32/58/43/276325843.db2.gz BPXCYWHIIXPMSF-CQSZACIVSA-N 1 0 278.352 2.943 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000290294870 276568925 /nfs/dbraw/zinc/56/89/25/276568925.db2.gz YGPSCCXWTBTZEB-GXFFZTMASA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000271119760 276573389 /nfs/dbraw/zinc/57/33/89/276573389.db2.gz JDXNZTIMIVDYCJ-LLVKDONJSA-N 1 0 298.408 2.826 20 5 CFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270235431 277033120 /nfs/dbraw/zinc/03/31/20/277033120.db2.gz VRUOFLANTOOQRO-CQSZACIVSA-N 1 0 289.379 2.763 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000227344668 277070111 /nfs/dbraw/zinc/07/01/11/277070111.db2.gz FONZXADCSPTZQT-DGCLKSJQSA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000347567507 277109096 /nfs/dbraw/zinc/10/90/96/277109096.db2.gz NNDKGSVQMYRQTM-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000292984974 277198472 /nfs/dbraw/zinc/19/84/72/277198472.db2.gz NMEYVWFPTLJWON-UHFFFAOYSA-N 1 0 278.352 2.891 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000267474164 277280926 /nfs/dbraw/zinc/28/09/26/277280926.db2.gz YWALOJVIYOBLHZ-FZMZJTMJSA-N 1 0 266.341 2.916 20 5 CFBDRO C[NH2+]C[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420267892 277283432 /nfs/dbraw/zinc/28/34/32/277283432.db2.gz GFHXMLVOHQIYRW-ZIAGYGMSSA-N 1 0 291.395 2.896 20 5 CFBDRO CC(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447510087 277356686 /nfs/dbraw/zinc/35/66/86/277356686.db2.gz OLVPFAOTYPCZEX-QWHCGFSZSA-N 1 0 280.372 2.911 20 5 CFBDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155097811 278141895 /nfs/dbraw/zinc/14/18/95/278141895.db2.gz QZCUEYHZSQVAGS-UWVGGRQHSA-N 1 0 254.355 2.997 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000085979714 278264247 /nfs/dbraw/zinc/26/42/47/278264247.db2.gz JIXNHJDEADKHIQ-LNSITVRQSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CCCC1 ZINC000423515947 278298870 /nfs/dbraw/zinc/29/88/70/278298870.db2.gz XRDGWIFGGYHBPJ-SWLSCSKDSA-N 1 0 291.395 2.633 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000038044611 278350795 /nfs/dbraw/zinc/35/07/95/278350795.db2.gz MMOCLBFDFXYPIK-NEPJUHHUSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105601 278376222 /nfs/dbraw/zinc/37/62/22/278376222.db2.gz UNGBEMAHXUZUDS-ZYHUDNBSSA-N 1 0 286.335 2.526 20 5 CFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000112659880 279235823 /nfs/dbraw/zinc/23/58/23/279235823.db2.gz OTGIPYHQQNYOLM-LLVKDONJSA-N 1 0 293.367 2.560 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000153160927 279275009 /nfs/dbraw/zinc/27/50/09/279275009.db2.gz NSPHHWOLLSSOEH-TZMCWYRMSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@H](CF)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290202723 279276466 /nfs/dbraw/zinc/27/64/66/279276466.db2.gz PTQAILHRHGKXJF-WDEREUQCSA-N 1 0 254.305 2.864 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058162 279315030 /nfs/dbraw/zinc/31/50/30/279315030.db2.gz GWTAKKMIAHJFOG-UKRRQHHQSA-N 1 0 291.395 2.600 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCCC1 ZINC000449331778 279382859 /nfs/dbraw/zinc/38/28/59/279382859.db2.gz AWYNVRYXIVNHBS-IUODEOHRSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246937285 279476095 /nfs/dbraw/zinc/47/60/95/279476095.db2.gz JIXNHJDEADKHIQ-CORIIIEPSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@H](C)C1 ZINC000452058704 279490569 /nfs/dbraw/zinc/49/05/69/279490569.db2.gz ACLNFRPGENVHCT-SRVKXCTJSA-N 1 0 280.372 2.633 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160136947 280101233 /nfs/dbraw/zinc/10/12/33/280101233.db2.gz WQLGFISXHFGVSD-OLZOCXBDSA-N 1 0 279.384 2.976 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301342290 280375606 /nfs/dbraw/zinc/37/56/06/280375606.db2.gz IPYQCHOKRZZBNW-BFHYXJOUSA-N 1 0 287.363 2.515 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000118953869 280604458 /nfs/dbraw/zinc/60/44/58/280604458.db2.gz ATMJVAILSNCQBX-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131920420 280724852 /nfs/dbraw/zinc/72/48/52/280724852.db2.gz MVJVBYMFCIJNPF-MNOVXSKESA-N 1 0 252.314 2.589 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000351877549 281011102 /nfs/dbraw/zinc/01/11/02/281011102.db2.gz MMOSAFDKTFDSON-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277154117 281011599 /nfs/dbraw/zinc/01/15/99/281011599.db2.gz LDPLRCOJRBEAIG-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)c1cccc([N+](=O)[O-])c1 ZINC000247930264 281016860 /nfs/dbraw/zinc/01/68/60/281016860.db2.gz BYPXGYCOJANXRJ-BPNCWPANSA-N 1 0 298.408 2.748 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000248333904 281019320 /nfs/dbraw/zinc/01/93/20/281019320.db2.gz FXNPNDRCBFOKOO-QWRGUYRKSA-N 1 0 292.335 2.692 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424290491 281020179 /nfs/dbraw/zinc/02/01/79/281020179.db2.gz MRLIJJKJVXAEOU-KCPJHIHWSA-N 1 0 277.368 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000420309341 281022815 /nfs/dbraw/zinc/02/28/15/281022815.db2.gz FBPFORNKHHOHKM-SWLSCSKDSA-N 1 0 277.368 2.635 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249588015 281063410 /nfs/dbraw/zinc/06/34/10/281063410.db2.gz ULTLJJGHHXSGKU-HUBLWGQQSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000255623213 281103952 /nfs/dbraw/zinc/10/39/52/281103952.db2.gz UXUNQZQHFYIJJJ-IJVDHGTGSA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000276187408 281126290 /nfs/dbraw/zinc/12/62/90/281126290.db2.gz HTQHXRTUQZMSLB-RKDXNWHRSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596106 281138361 /nfs/dbraw/zinc/13/83/61/281138361.db2.gz FSPYNCVBLMNDLJ-MNOVXSKESA-N 1 0 286.335 2.984 20 5 CFBDRO Cc1cc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000396979240 281199821 /nfs/dbraw/zinc/19/98/21/281199821.db2.gz MMAPFFCNELUXJE-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1 ZINC000397822980 281202867 /nfs/dbraw/zinc/20/28/67/281202867.db2.gz FNGNFJFYJHVLQJ-WCBMZHEXSA-N 1 0 270.329 2.718 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424374712 281227459 /nfs/dbraw/zinc/22/74/59/281227459.db2.gz LOEAKLHIAKLGCB-IACUBPJLSA-N 1 0 277.368 2.824 20 5 CFBDRO CC[NH+]1C[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000459455000 281265915 /nfs/dbraw/zinc/26/59/15/281265915.db2.gz DRJGRZMFZKDGOB-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO CC(C)(CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515073862 281290665 /nfs/dbraw/zinc/29/06/65/281290665.db2.gz UXVFHRFWCOYHOR-ZDUSSCGKSA-N 1 0 278.352 2.580 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1 ZINC000520229162 281309522 /nfs/dbraw/zinc/30/95/22/281309522.db2.gz CTLMVKRATDLRJM-NEPJUHHUSA-N 1 0 252.289 2.965 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C2(COC)CC2)cc1[N+](=O)[O-] ZINC000540749793 281589451 /nfs/dbraw/zinc/58/94/51/281589451.db2.gz OKVKJAAQOUUVHH-LLVKDONJSA-N 1 0 294.351 2.823 20 5 CFBDRO COCC[C@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000558508220 281983977 /nfs/dbraw/zinc/98/39/77/281983977.db2.gz RZZDFZYVJJONAM-CHWSQXEVSA-N 1 0 296.367 2.605 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000560907249 282043670 /nfs/dbraw/zinc/04/36/70/282043670.db2.gz CSVNLPHIJUWMEE-JHJVBQTASA-N 1 0 278.352 2.857 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000081707765 292677021 /nfs/dbraw/zinc/67/70/21/292677021.db2.gz BPZWLEIGVCAXHL-WDEREUQCSA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1csc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000038091227 289823424 /nfs/dbraw/zinc/82/34/24/289823424.db2.gz MGWGMRBYNKNCCA-UHFFFAOYSA-N 1 0 293.348 2.528 20 5 CFBDRO CN(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153713431 289874898 /nfs/dbraw/zinc/87/48/98/289874898.db2.gz KCXKJIGYHHGFKF-UHFFFAOYSA-N 1 0 297.786 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000562742033 290072820 /nfs/dbraw/zinc/07/28/20/290072820.db2.gz JNLZYZYJCXZZAM-CQSZACIVSA-N 1 0 276.336 2.896 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000562742032 290072911 /nfs/dbraw/zinc/07/29/11/290072911.db2.gz JNLZYZYJCXZZAM-AWEZNQCLSA-N 1 0 276.336 2.896 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000563079888 290100961 /nfs/dbraw/zinc/10/09/61/290100961.db2.gz BRFRGCDGOHTDHQ-UHFFFAOYSA-N 1 0 252.314 2.704 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000563216796 290119938 /nfs/dbraw/zinc/11/99/38/290119938.db2.gz LFNZZQOUPRWKNF-WFASDCNBSA-N 1 0 292.379 2.971 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000564917656 290249598 /nfs/dbraw/zinc/24/95/98/290249598.db2.gz ZUZNPOOYRUXYNX-CABCVRRESA-N 1 0 290.363 2.986 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489269755 290267790 /nfs/dbraw/zinc/26/77/90/290267790.db2.gz VENZLXKFEDDQAH-IAQYHMDHSA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@H](F)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565842967 290329712 /nfs/dbraw/zinc/32/97/12/290329712.db2.gz JKYHSDDNKKNZFS-JOYOIKCWSA-N 1 0 252.289 2.920 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567697160 290485639 /nfs/dbraw/zinc/48/56/39/290485639.db2.gz QGUCWGCKBSIONW-NEPJUHHUSA-N 1 0 291.351 2.559 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000278685394 301869434 /nfs/dbraw/zinc/86/94/34/301869434.db2.gz UPXZWUFWNOELME-XUJVJEKNSA-N 1 0 278.352 2.979 20 5 CFBDRO COCCOCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163428766 322375723 /nfs/dbraw/zinc/37/57/23/322375723.db2.gz ZARKDTGAUJMINQ-ZDUSSCGKSA-N 1 0 296.367 2.607 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166794253 322387425 /nfs/dbraw/zinc/38/74/25/322387425.db2.gz APRCTNLQHISVNU-QWHCGFSZSA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000320303573 322437424 /nfs/dbraw/zinc/43/74/24/322437424.db2.gz JFQQQZNTKHDBNS-RNFRBKRXSA-N 1 0 292.261 2.546 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000569743884 322494048 /nfs/dbraw/zinc/49/40/48/322494048.db2.gz FSZOTSJDXSVQGG-NSHDSACASA-N 1 0 295.383 2.992 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000570283983 322524780 /nfs/dbraw/zinc/52/47/80/322524780.db2.gz XWSZPNFEIXSVPV-GJZGRUSLSA-N 1 0 292.379 2.931 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC12CC2 ZINC000570827902 322554436 /nfs/dbraw/zinc/55/44/36/322554436.db2.gz YLFJQHRMBSXZMU-MFKMUULPSA-N 1 0 258.321 2.972 20 5 CFBDRO CC(C)([NH2+]Cc1ncccc1O)c1ccccc1[N+](=O)[O-] ZINC000570903099 322557899 /nfs/dbraw/zinc/55/78/99/322557899.db2.gz QWHRPXWBMDLYGE-UHFFFAOYSA-N 1 0 287.319 2.720 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000572015088 322604571 /nfs/dbraw/zinc/60/45/71/322604571.db2.gz KEZLBZDRZXUFOJ-UHIISALHSA-N 1 0 276.336 2.739 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573506953 322659079 /nfs/dbraw/zinc/65/90/79/322659079.db2.gz XUYPREHPQVLARL-GWCFXTLKSA-N 1 0 264.325 2.597 20 5 CFBDRO Cc1c(C[NH2+][C@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000386364031 324477291 /nfs/dbraw/zinc/47/72/91/324477291.db2.gz OQRBLQXOIALYMC-OAHLLOKOSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1c(C[NH2+][C@@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000386363984 324477685 /nfs/dbraw/zinc/47/76/85/324477685.db2.gz OQRBLQXOIALYMC-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000386963315 324484792 /nfs/dbraw/zinc/48/47/92/324484792.db2.gz ZMIJVNOSMSFVAW-SWHYSGLUSA-N 1 0 266.341 2.795 20 5 CFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000387621188 324495375 /nfs/dbraw/zinc/49/53/75/324495375.db2.gz BWQWRPWIHPYRAG-GFCCVEGCSA-N 1 0 293.367 2.866 20 5 CFBDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000576759831 324655465 /nfs/dbraw/zinc/65/54/65/324655465.db2.gz DBFWFSDMRRHNNE-UHFFFAOYSA-N 1 0 294.742 2.543 20 5 CFBDRO Cc1ncncc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000576767021 324657865 /nfs/dbraw/zinc/65/78/65/324657865.db2.gz FHIXDJVFGRZNEJ-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577005487 324685580 /nfs/dbraw/zinc/68/55/80/324685580.db2.gz ZHHXYJNIBODGRK-FZMZJTMJSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000577669753 324766529 /nfs/dbraw/zinc/76/65/29/324766529.db2.gz ITUJVOXDWSNEPV-DDJMYBDESA-N 1 0 292.379 2.995 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000578625983 324872170 /nfs/dbraw/zinc/87/21/70/324872170.db2.gz WYVXLKDLDBBRQN-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000580204795 325016009 /nfs/dbraw/zinc/01/60/09/325016009.db2.gz FBFMSBAQTKOPNQ-PSASAPJRSA-N 1 0 292.379 2.995 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581498725 325127452 /nfs/dbraw/zinc/12/74/52/325127452.db2.gz IDOMWJFOQMUEGC-ZWNOBZJWSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000581617823 325137777 /nfs/dbraw/zinc/13/77/77/325137777.db2.gz FNRILTWRJUGJOQ-JTNHKYCSSA-N 1 0 276.336 2.739 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000582042631 325171333 /nfs/dbraw/zinc/17/13/33/325171333.db2.gz NPNQNBWVTVZVTO-RRFJBIMHSA-N 1 0 276.336 2.739 20 5 CFBDRO CCOC[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582629908 325220585 /nfs/dbraw/zinc/22/05/85/325220585.db2.gz PSBDVGPCCYHCOO-LLVKDONJSA-N 1 0 291.351 2.633 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000584083532 325328995 /nfs/dbraw/zinc/32/89/95/325328995.db2.gz WUDCBENPJUBPEF-GRYCIOLGSA-N 1 0 266.341 2.977 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000426525977 533825312 /nfs/dbraw/zinc/82/53/12/533825312.db2.gz SWYHZUTVVMQOAS-CHWSQXEVSA-N 1 0 276.336 2.978 20 5 CFBDRO C[C@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000414904379 534175491 /nfs/dbraw/zinc/17/54/91/534175491.db2.gz JVVYBUCTVSFPCF-AWEZNQCLSA-N 1 0 297.786 2.728 20 5 CFBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000157954155 518936238 /nfs/dbraw/zinc/93/62/38/518936238.db2.gz UPXOEQOIJORTOR-ZIAGYGMSSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313815772 519727111 /nfs/dbraw/zinc/72/71/11/519727111.db2.gz JOPJULFCWFNKGD-UHFFFAOYSA-N 1 0 295.358 2.508 20 5 CFBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353114893 519853328 /nfs/dbraw/zinc/85/33/28/519853328.db2.gz CRBBHUFYPMQQTD-OAHLLOKOSA-N 1 0 291.395 2.867 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000072859485 520255050 /nfs/dbraw/zinc/25/50/50/520255050.db2.gz RUVNSTIUJYISPE-GFCCVEGCSA-N 1 0 295.358 2.508 20 5 CFBDRO CCCC[NH+](CCCC)CCn1cc([N+](=O)[O-])cn1 ZINC000174816648 520495598 /nfs/dbraw/zinc/49/55/98/520495598.db2.gz YJHURVGSXHGNNM-UHFFFAOYSA-N 1 0 268.361 2.694 20 5 CFBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000224694274 520550121 /nfs/dbraw/zinc/55/01/21/520550121.db2.gz RPWRWPUPFMPZTD-CABCVRRESA-N 1 0 292.379 2.931 20 5 CFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000084440210 520576757 /nfs/dbraw/zinc/57/67/57/520576757.db2.gz GWAFTWWVANSWAD-KBPBESRZSA-N 1 0 278.352 2.888 20 5 CFBDRO CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337214042 520725554 /nfs/dbraw/zinc/72/55/54/520725554.db2.gz DSANNPAJPZGLPM-WCQYABFASA-N 1 0 294.351 2.508 20 5 CFBDRO CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000310958419 521024761 /nfs/dbraw/zinc/02/47/61/521024761.db2.gz PJEKLOFTFXWIJE-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO CC[N@H+](CCNc1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC000313055993 521085953 /nfs/dbraw/zinc/08/59/53/521085953.db2.gz HWKZRYURSMQGAH-UHFFFAOYSA-N 1 0 281.331 2.939 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338668674 521603365 /nfs/dbraw/zinc/60/33/65/521603365.db2.gz RSEUSMVYABGAGV-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443233 521659016 /nfs/dbraw/zinc/65/90/16/521659016.db2.gz QLOYMEHLWVEFLL-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000086700770 522364346 /nfs/dbraw/zinc/36/43/46/522364346.db2.gz WMTRCJGPMANTCZ-CYBMUJFWSA-N 1 0 266.341 2.664 20 5 CFBDRO CN(C(=O)C[N@H+](C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000339257059 522425150 /nfs/dbraw/zinc/42/51/50/522425150.db2.gz VSZFUGHAKHRMKJ-UHFFFAOYSA-N 1 0 293.367 2.536 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000361747656 522486965 /nfs/dbraw/zinc/48/69/65/522486965.db2.gz NRYNWMKGXYQABQ-JSGCOSHPSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000163553048 522597509 /nfs/dbraw/zinc/59/75/09/522597509.db2.gz WMMKEWHBEPVXKN-STYXZAMGSA-N 1 0 298.408 2.793 20 5 CFBDRO COC[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000132003280 522628461 /nfs/dbraw/zinc/62/84/61/522628461.db2.gz SGHPGYYIARHGSK-NEPJUHHUSA-N 1 0 266.341 2.540 20 5 CFBDRO COC1CC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000230673102 522669707 /nfs/dbraw/zinc/66/97/07/522669707.db2.gz SKKLWICOSPZMCC-QFWMXSHPSA-N 1 0 264.325 2.731 20 5 CFBDRO COc1cc(N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000312429670 522760906 /nfs/dbraw/zinc/76/09/06/522760906.db2.gz SJAKFFMVOJOYAM-NSHDSACASA-N 1 0 281.356 2.744 20 5 CFBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000338572783 522773157 /nfs/dbraw/zinc/77/31/57/522773157.db2.gz REUZVVIPYQBSDN-NSHDSACASA-N 1 0 294.351 2.835 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168576510 522909938 /nfs/dbraw/zinc/90/99/38/522909938.db2.gz FXOVZXBZHRHKNK-SMDDNHRTSA-N 1 0 265.357 2.586 20 5 CFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000075860271 522927622 /nfs/dbraw/zinc/92/76/22/522927622.db2.gz NYCRVZZHLGZSBL-HNNXBMFYSA-N 1 0 291.395 2.901 20 5 CFBDRO CC[C@@H]([NH2+][C@H](CCOC)COC)c1cccc([N+](=O)[O-])c1 ZINC000314374262 522942965 /nfs/dbraw/zinc/94/29/65/522942965.db2.gz QBYJYKCTMSGLSY-UKRRQHHQSA-N 1 0 296.367 2.687 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCOCC1 ZINC000155925215 523273888 /nfs/dbraw/zinc/27/38/88/523273888.db2.gz VEEJLXYHBAALCH-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO CC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000076073146 523279563 /nfs/dbraw/zinc/27/95/63/523279563.db2.gz FYGHXJJGGFLGMV-LBPRGKRZSA-N 1 0 296.392 2.801 20 5 CFBDRO CO[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000182382444 523409195 /nfs/dbraw/zinc/40/91/95/523409195.db2.gz FECAQEUJZSWKIM-NSHDSACASA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000227830424 524014159 /nfs/dbraw/zinc/01/41/59/524014159.db2.gz RAMVWKZXWPSBEO-KGLIPLIRSA-N 1 0 278.352 2.806 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000169020637 524291626 /nfs/dbraw/zinc/29/16/26/524291626.db2.gz RPCASDIZZBDAKB-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO Cc1cccc(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000338713511 524519008 /nfs/dbraw/zinc/51/90/08/524519008.db2.gz LEIUYUPGWYITPY-UHFFFAOYSA-N 1 0 277.368 2.825 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000312522288 524598215 /nfs/dbraw/zinc/59/82/15/524598215.db2.gz BYUIIGQZGBRPJT-UONOGXRCSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1cc(Cl)cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000339303473 524868321 /nfs/dbraw/zinc/86/83/21/524868321.db2.gz IUNVKTXNGJHSJK-UHFFFAOYSA-N 1 0 294.742 2.543 20 5 CFBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000311986484 525271981 /nfs/dbraw/zinc/27/19/81/525271981.db2.gz RQVWYRYSFWFXSN-SECBINFHSA-N 1 0 269.320 2.652 20 5 CFBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000311986485 525275275 /nfs/dbraw/zinc/27/52/75/525275275.db2.gz RQVWYRYSFWFXSN-VIFPVBQESA-N 1 0 269.320 2.652 20 5 CFBDRO Cc1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159609305 525320731 /nfs/dbraw/zinc/32/07/31/525320731.db2.gz OAHFZFAQZKEBOT-NEPJUHHUSA-N 1 0 275.352 2.940 20 5 CFBDRO Cc1ccnc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000070495961 525689943 /nfs/dbraw/zinc/68/99/43/525689943.db2.gz YMBPAYQSTWFJFH-YHWZYXNKSA-N 1 0 290.367 2.583 20 5 CFBDRO Cc1ccnc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000360263322 525692545 /nfs/dbraw/zinc/69/25/45/525692545.db2.gz BAQQHNFLWLSTMI-STQMWFEESA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1c(CNC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000314860592 525722620 /nfs/dbraw/zinc/72/26/20/525722620.db2.gz JJGMDSPABWDEIY-UHFFFAOYSA-N 1 0 289.379 2.620 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883495 525727250 /nfs/dbraw/zinc/72/72/50/525727250.db2.gz RCDARQMWUSEKFT-GXFFZTMASA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccncc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000361421720 525735600 /nfs/dbraw/zinc/73/56/00/525735600.db2.gz IQNKAVJMTXHELJ-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO O=[N+]([O-])c1ccccc1CNCC[NH2+]C1CCCCCC1 ZINC000414815800 534886923 /nfs/dbraw/zinc/88/69/23/534886923.db2.gz VFOVGDOKKAQTPO-UHFFFAOYSA-N 1 0 291.395 2.997 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C(C)C)c1 ZINC000084726518 526060351 /nfs/dbraw/zinc/06/03/51/526060351.db2.gz WJNUWZYUWLLCRW-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373279304 526078327 /nfs/dbraw/zinc/07/83/27/526078327.db2.gz SJBUFZXARQHQLO-NHYWBVRUSA-N 1 0 276.336 2.503 20 5 CFBDRO CC(=O)c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000175006271 527288740 /nfs/dbraw/zinc/28/87/40/527288740.db2.gz JTYKEGPPZGDLPK-UHFFFAOYSA-N 1 0 283.287 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCO)s2)cc1 ZINC000067697381 527343364 /nfs/dbraw/zinc/34/33/64/527343364.db2.gz VGXVKMCYINHSCQ-UHFFFAOYSA-N 1 0 292.360 2.795 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CC23CCCCC3)cc1 ZINC000088395648 527349635 /nfs/dbraw/zinc/34/96/35/527349635.db2.gz KZJMXOPEQLJWSU-UHFFFAOYSA-N 1 0 289.379 2.703 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c(Cl)c1 ZINC000230143609 527351190 /nfs/dbraw/zinc/35/11/90/527351190.db2.gz DKVOIVBSZJTBLV-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000364964098 527386901 /nfs/dbraw/zinc/38/69/01/527386901.db2.gz URJXITIMLOJVNA-UHFFFAOYSA-N 1 0 298.346 2.764 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000452092842 536525541 /nfs/dbraw/zinc/52/55/41/536525541.db2.gz URJOMLAGCBIZSL-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413308873 527992245 /nfs/dbraw/zinc/99/22/45/527992245.db2.gz KQWSIKVSGQHDLZ-SNVBAGLBSA-N 1 0 284.335 2.661 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414921091 528100115 /nfs/dbraw/zinc/10/01/15/528100115.db2.gz DDIDTZUFBWIKQZ-SWLSCSKDSA-N 1 0 291.395 2.806 20 5 CFBDRO CC(C)c1ccc(CN[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414811017 528100206 /nfs/dbraw/zinc/10/02/06/528100206.db2.gz VWVDSPPIJVCVNQ-AWEZNQCLSA-N 1 0 277.368 2.545 20 5 CFBDRO CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026219103 528232294 /nfs/dbraw/zinc/23/22/94/528232294.db2.gz ADHURZRJINUCQV-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO CCC[C@H](N[C@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423448142 528239334 /nfs/dbraw/zinc/23/93/34/528239334.db2.gz PTTTVXYKVGLYCM-WDMOLILDSA-N 1 0 265.357 2.761 20 5 CFBDRO CCC(=O)c1ccc(NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000413358915 528458155 /nfs/dbraw/zinc/45/81/55/528458155.db2.gz LNIWVTLCQYODNK-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CCC[NH2+]CCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423309753 528512221 /nfs/dbraw/zinc/51/22/21/528512221.db2.gz LWVUAMGTVJGDFS-LBPRGKRZSA-N 1 0 295.383 2.644 20 5 CFBDRO CCCC[C@@H](C[NH3+])NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414808735 528818711 /nfs/dbraw/zinc/81/87/11/528818711.db2.gz FTJAEZJOPXQXGT-ZDUSSCGKSA-N 1 0 265.357 2.510 20 5 CFBDRO CC(C)N(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192803129 528823399 /nfs/dbraw/zinc/82/33/99/528823399.db2.gz MIBJHOMLARTHLA-INIZCTEOSA-N 1 0 291.395 2.902 20 5 CFBDRO CC1(C)CCC[NH2+][C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000414927192 528951576 /nfs/dbraw/zinc/95/15/76/528951576.db2.gz LOQGNUXEFHAUOK-NSHDSACASA-N 1 0 283.397 2.524 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000427873037 528981351 /nfs/dbraw/zinc/98/13/51/528981351.db2.gz YVIPKXFLDFHXKF-CMPLNLGQSA-N 1 0 266.341 2.979 20 5 CFBDRO CCC[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000501109564 535635213 /nfs/dbraw/zinc/63/52/13/535635213.db2.gz HSJTXPKYVZPABM-ZDUSSCGKSA-N 1 0 277.368 2.905 20 5 CFBDRO COC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000342185700 536565231 /nfs/dbraw/zinc/56/52/31/536565231.db2.gz XLXDPDJBUFXASK-UHFFFAOYSA-N 1 0 278.352 2.904 20 5 CFBDRO Cc1c(C)c(NC[C@@H]2CCC[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC001155025680 782173696 /nfs/dbraw/zinc/17/36/96/782173696.db2.gz PLUKRYZQSMPBTK-MFKMUULPSA-N 1 0 292.383 2.654 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754372891 574091335 /nfs/dbraw/zinc/09/13/35/574091335.db2.gz MPRMRPHMRNAQJR-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728900287 574135465 /nfs/dbraw/zinc/13/54/65/574135465.db2.gz GLBWSOPTHRNHEV-LBPRGKRZSA-N 1 0 286.335 2.758 20 5 CFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059957 574157058 /nfs/dbraw/zinc/15/70/58/574157058.db2.gz ZMVLBDXGYZFPFL-WCQYABFASA-N 1 0 266.345 2.649 20 5 CFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000738059955 574157084 /nfs/dbraw/zinc/15/70/84/574157084.db2.gz ZMVLBDXGYZFPFL-DGCLKSJQSA-N 1 0 266.345 2.649 20 5 CFBDRO Cc1nn(C[N@H+](C)CCC2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000746637051 574159494 /nfs/dbraw/zinc/15/94/94/574159494.db2.gz JICVELIKGRYRIW-UHFFFAOYSA-N 1 0 288.351 2.942 20 5 CFBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000746754975 574165140 /nfs/dbraw/zinc/16/51/40/574165140.db2.gz NXUPESVHNXHGQH-KBPBESRZSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000756903000 574271917 /nfs/dbraw/zinc/27/19/17/574271917.db2.gz GVGNDJQMAZOUEW-CQSZACIVSA-N 1 0 296.754 2.861 20 5 CFBDRO CCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000740874690 574272312 /nfs/dbraw/zinc/27/23/12/574272312.db2.gz BUGWXHKPHISUBM-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000749282406 574287958 /nfs/dbraw/zinc/28/79/58/574287958.db2.gz SWZPKFZOCLABGL-ZJUUUORDSA-N 1 0 269.370 2.941 20 5 CFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000749281891 574287976 /nfs/dbraw/zinc/28/79/76/574287976.db2.gz SWZPKFZOCLABGL-NXEZZACHSA-N 1 0 269.370 2.941 20 5 CFBDRO CCCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750039230 574322086 /nfs/dbraw/zinc/32/20/86/574322086.db2.gz HPVPCYFGVGXCEJ-HNNXBMFYSA-N 1 0 278.352 2.893 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750056158 574322828 /nfs/dbraw/zinc/32/28/28/574322828.db2.gz YBEKQHVELCOXRO-JSGCOSHPSA-N 1 0 264.325 2.503 20 5 CFBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000750093815 574324114 /nfs/dbraw/zinc/32/41/14/574324114.db2.gz VGSKYZVTQXDZBN-OAHLLOKOSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000735990341 574346963 /nfs/dbraw/zinc/34/69/63/574346963.db2.gz BOHWDTCCMWLHAV-CQSZACIVSA-N 1 0 294.351 2.758 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000743653010 574370266 /nfs/dbraw/zinc/37/02/66/574370266.db2.gz IPNHEEZGJWSHFK-SECBINFHSA-N 1 0 275.135 2.878 20 5 CFBDRO COC(=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000934027946 617865857 /nfs/dbraw/zinc/86/58/57/617865857.db2.gz WFQXVFKRXCGJGX-ZDUSSCGKSA-N 1 0 294.351 2.662 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000891642839 617693969 /nfs/dbraw/zinc/69/39/69/617693969.db2.gz DKYFAZCOZHZYRN-VIFPVBQESA-N 1 0 280.324 2.539 20 5 CFBDRO COc1c(O)ccc(C[N@H+](CC2CC2)C(C)C)c1[N+](=O)[O-] ZINC000891684456 617708859 /nfs/dbraw/zinc/70/88/59/617708859.db2.gz UMQPKVUJDDDQLX-UHFFFAOYSA-N 1 0 294.351 2.929 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC[C@@H]1C ZINC000932501866 617824791 /nfs/dbraw/zinc/82/47/91/617824791.db2.gz QRQTXRTZLSKSGY-FZMZJTMJSA-N 1 0 294.351 2.507 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000891932433 617833149 /nfs/dbraw/zinc/83/31/49/617833149.db2.gz CGVIYESOOYNNHM-LBPRGKRZSA-N 1 0 292.335 2.683 20 5 CFBDRO CCCCC1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000934207735 617957273 /nfs/dbraw/zinc/95/72/73/617957273.db2.gz VKYNSBMZQHRYCH-UHFFFAOYSA-N 1 0 291.351 2.506 20 5 CFBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049964290 618054277 /nfs/dbraw/zinc/05/42/77/618054277.db2.gz OXZFATGRWHPPCS-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CCOC1CC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000219284829 618182107 /nfs/dbraw/zinc/18/21/07/618182107.db2.gz YRSDHJIANLMPKG-PWQPVHBWSA-N 1 0 264.325 2.813 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000891456955 618221689 /nfs/dbraw/zinc/22/16/89/618221689.db2.gz NWADGOYTZJNPKO-SNVBAGLBSA-N 1 0 280.324 2.683 20 5 CFBDRO CCN1[C@H](C)CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000895099261 618290932 /nfs/dbraw/zinc/29/09/32/618290932.db2.gz FSXAVZQTIOPAEY-AOOOYVTPSA-N 1 0 298.774 2.562 20 5 CFBDRO CC[C@@]1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750091733 618489034 /nfs/dbraw/zinc/48/90/34/618489034.db2.gz AGWHBKDIJQDKNH-GJZGRUSLSA-N 1 0 278.352 2.750 20 5 CFBDRO CC1=NO[C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000895304335 618524569 /nfs/dbraw/zinc/52/45/69/618524569.db2.gz NIUFXNJDJHHAEP-BXUZGUMPSA-N 1 0 291.351 2.670 20 5 CFBDRO CC1=NO[C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000895304337 618524845 /nfs/dbraw/zinc/52/48/45/618524845.db2.gz NIUFXNJDJHHAEP-RISCZKNCSA-N 1 0 291.351 2.670 20 5 CFBDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000895311019 618526997 /nfs/dbraw/zinc/52/69/97/618526997.db2.gz MPHSGCZBMDAFLT-CYBMUJFWSA-N 1 0 291.351 2.973 20 5 CFBDRO C[NH+](C)CC[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000895325388 618534359 /nfs/dbraw/zinc/53/43/59/618534359.db2.gz QBTRKURSVGWRGQ-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1CSC1 ZINC000895422403 618582776 /nfs/dbraw/zinc/58/27/76/618582776.db2.gz BBGGQEJEXFJZQZ-HYXAFXHYSA-N 1 0 264.350 2.561 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCC[C@H]1O ZINC000895439091 618586828 /nfs/dbraw/zinc/58/68/28/618586828.db2.gz VULNWMCTAUQZJA-ZIAGYGMSSA-N 1 0 298.770 2.984 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@]2(C)CC2(C)C)c1[N+](=O)[O-] ZINC000895442228 618588961 /nfs/dbraw/zinc/58/89/61/618588961.db2.gz LRUZEUILCPOHQL-AWEZNQCLSA-N 1 0 280.324 2.587 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895468093 618601274 /nfs/dbraw/zinc/60/12/74/618601274.db2.gz QFBWZNNOSKZOCA-UHFFFAOYSA-N 1 0 280.324 2.587 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC000892968944 618786313 /nfs/dbraw/zinc/78/63/13/618786313.db2.gz OPKZPSQEXCEVKM-JTQLQIEISA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582029 618931160 /nfs/dbraw/zinc/93/11/60/618931160.db2.gz OPFIKUIUKYPZCY-OCCSQVGLSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633644 619041728 /nfs/dbraw/zinc/04/17/28/619041728.db2.gz SCWZVRYASIJFEQ-GXFFZTMASA-N 1 0 297.786 2.950 20 5 CFBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000049480612 619052171 /nfs/dbraw/zinc/05/21/71/619052171.db2.gz IOIGBYGCMHLQCK-SECBINFHSA-N 1 0 299.758 2.917 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000791055727 619275411 /nfs/dbraw/zinc/27/54/11/619275411.db2.gz WDVHPCGSFRROMA-LSDHHAIUSA-N 1 0 262.353 2.654 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894420702 619380196 /nfs/dbraw/zinc/38/01/96/619380196.db2.gz QMWWNCMFLBKGSX-CYBMUJFWSA-N 1 0 298.770 2.805 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](CF)C1 ZINC000895575369 619558388 /nfs/dbraw/zinc/55/83/88/619558388.db2.gz SEVTXLFDFGYPTN-OGOUPESXSA-N 1 0 264.300 2.899 20 5 CFBDRO CC1(C)CO[C@@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895803471 619611581 /nfs/dbraw/zinc/61/15/81/619611581.db2.gz XSJKMIJWGGIYNE-HNNXBMFYSA-N 1 0 292.379 2.932 20 5 CFBDRO COCC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000895969717 619646618 /nfs/dbraw/zinc/64/66/18/619646618.db2.gz LUKBWJBCYSFPNG-SDQBBNPISA-N 1 0 276.336 2.576 20 5 CFBDRO C=C/C=C\CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895995606 619652312 /nfs/dbraw/zinc/65/23/12/619652312.db2.gz KCPOFKZFSYYYPF-PLNGDYQASA-N 1 0 278.308 2.531 20 5 CFBDRO Cc1nnc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897460601 620176678 /nfs/dbraw/zinc/17/66/78/620176678.db2.gz ISLMSQZVPDUHIG-VIFPVBQESA-N 1 0 292.364 2.648 20 5 CFBDRO COC[C@H](C)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464876 620177013 /nfs/dbraw/zinc/17/70/13/620177013.db2.gz PSWCJCREHURWQE-NEPJUHHUSA-N 1 0 266.341 2.570 20 5 CFBDRO COCC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466029 620177022 /nfs/dbraw/zinc/17/70/22/620177022.db2.gz MQORUGPGRQCKQU-NEPJUHHUSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000897469756 620178542 /nfs/dbraw/zinc/17/85/42/620178542.db2.gz PXXUIGROLREIIA-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000897514602 620200474 /nfs/dbraw/zinc/20/04/74/620200474.db2.gz URJUTPZRKOBHSP-GDBMZVCRSA-N 1 0 290.363 2.950 20 5 CFBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000841034348 620264914 /nfs/dbraw/zinc/26/49/14/620264914.db2.gz XFWBKIQHOBXAIS-WDEREUQCSA-N 1 0 297.786 2.726 20 5 CFBDRO Cc1ncccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000898257532 620359022 /nfs/dbraw/zinc/35/90/22/620359022.db2.gz XNPQGEKMFVDVLW-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000927023623 620441523 /nfs/dbraw/zinc/44/15/23/620441523.db2.gz DTVXEKPTWFFGCR-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000927097329 620452861 /nfs/dbraw/zinc/45/28/61/620452861.db2.gz UQAYWHXTVKQDCW-DGCLKSJQSA-N 1 0 295.383 2.746 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C/Cl ZINC000898432048 620463320 /nfs/dbraw/zinc/46/33/20/620463320.db2.gz DXOLLZDPGNIUNL-CYZOPGGISA-N 1 0 297.742 2.654 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C/C=C/Cl ZINC000898433340 620463679 /nfs/dbraw/zinc/46/36/79/620463679.db2.gz NBXBECCNIKAZCD-YVGDHZEHSA-N 1 0 297.742 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc(COc2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000899589540 620584404 /nfs/dbraw/zinc/58/44/04/620584404.db2.gz RXRDNSQJIWLDJZ-UHFFFAOYSA-N 1 0 298.342 2.862 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903066864 621239210 /nfs/dbraw/zinc/23/92/10/621239210.db2.gz MAWJQMDULHUDCZ-SMDDNHRTSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903083490 621246300 /nfs/dbraw/zinc/24/63/00/621246300.db2.gz IAQFTEJFJZXRCX-RYUDHWBXSA-N 1 0 295.383 2.594 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc([N+](=O)[O-])c1 ZINC000903110613 621257159 /nfs/dbraw/zinc/25/71/59/621257159.db2.gz PNOIXLKOOSAMIE-XHDPSFHLSA-N 1 0 294.351 2.823 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096784 621259060 /nfs/dbraw/zinc/25/90/60/621259060.db2.gz KRDKUNSYVCXNGG-PGUXBMHVSA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc([N+](=O)[O-])c1 ZINC000903127702 621262395 /nfs/dbraw/zinc/26/23/95/621262395.db2.gz KFZDOQACRHNYGG-JKOKRWQUSA-N 1 0 294.351 2.558 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903151418 621273499 /nfs/dbraw/zinc/27/34/99/621273499.db2.gz DTUFJVNEBJOXNP-YBLMTZRHSA-N 1 0 294.351 2.581 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903185374 621278657 /nfs/dbraw/zinc/27/86/57/621278657.db2.gz IVNMYENHMJDPQZ-VQISRLSMSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc([N+](=O)[O-])c1 ZINC000903194880 621281329 /nfs/dbraw/zinc/28/13/29/621281329.db2.gz RLKUCAOODHWZAG-FFFUXKDYSA-N 1 0 292.335 2.574 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903201181 621283956 /nfs/dbraw/zinc/28/39/56/621283956.db2.gz WTPHSAXLVMOOGW-ZYHUDNBSSA-N 1 0 262.309 2.973 20 5 CFBDRO C[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903258401 621301685 /nfs/dbraw/zinc/30/16/85/621301685.db2.gz CBZGHMSZIAXGPC-LBPRGKRZSA-N 1 0 290.363 2.941 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286832 621318515 /nfs/dbraw/zinc/31/85/15/621318515.db2.gz HWNLDXFPUMIJMN-JTNHKYCSSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903287796 621319088 /nfs/dbraw/zinc/31/90/88/621319088.db2.gz QFXPAWONPGXSDL-ZHSDAYTOSA-N 1 0 264.325 2.811 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903315529 621329423 /nfs/dbraw/zinc/32/94/23/621329423.db2.gz HUNBQJIABDCGBN-JQWIXIFHSA-N 1 0 295.408 2.671 20 5 CFBDRO CN1CC[C@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903317858 621330559 /nfs/dbraw/zinc/33/05/59/621330559.db2.gz VPCQMSMFZWNSBV-HOCLYGCPSA-N 1 0 289.379 2.656 20 5 CFBDRO CN1CC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903318468 621331272 /nfs/dbraw/zinc/33/12/72/621331272.db2.gz QAWVEAQPKNEURR-SWLSCSKDSA-N 1 0 289.379 2.611 20 5 CFBDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903331841 621341966 /nfs/dbraw/zinc/34/19/66/621341966.db2.gz OEZXELIVPPSLAZ-GXFFZTMASA-N 1 0 278.352 2.985 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000903405907 621361309 /nfs/dbraw/zinc/36/13/09/621361309.db2.gz FXQBMQRKYQJHLQ-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C/C=C\Cl)n1 ZINC000903445827 621384163 /nfs/dbraw/zinc/38/41/63/621384163.db2.gz WGIQAGFGBJQLJN-XJNBHVAUSA-N 1 0 284.747 2.617 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557441 621397266 /nfs/dbraw/zinc/39/72/66/621397266.db2.gz OHLNDSKUUKNVFB-BXUZGUMPSA-N 1 0 277.368 2.633 20 5 CFBDRO Cc1c(CN2CCC[C@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903796686 621443740 /nfs/dbraw/zinc/44/37/40/621443740.db2.gz BMGOIGMNEXHGDJ-HOCLYGCPSA-N 1 0 289.379 2.607 20 5 CFBDRO Cc1ccc(CN2CCC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903799144 621444049 /nfs/dbraw/zinc/44/40/49/621444049.db2.gz BOYVCTBFDJZNGS-ZBFHGGJFSA-N 1 0 289.379 2.607 20 5 CFBDRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903853829 621456308 /nfs/dbraw/zinc/45/63/08/621456308.db2.gz HBBDUODISZRPOW-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903854481 621456516 /nfs/dbraw/zinc/45/65/16/621456516.db2.gz JIGLLLFMDWZIOY-FZMZJTMJSA-N 1 0 295.770 2.561 20 5 CFBDRO [NH3+][C@@H](CC(F)F)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000903884001 621464005 /nfs/dbraw/zinc/46/40/05/621464005.db2.gz OPYHNKCOLRIXTI-NSHDSACASA-N 1 0 299.321 2.542 20 5 CFBDRO C[C@@H](N[C@@H](C)C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000903988029 621499489 /nfs/dbraw/zinc/49/94/89/621499489.db2.gz MSBCVIYAKMJYLS-SCRDCRAPSA-N 1 0 277.368 2.776 20 5 CFBDRO Cc1c(-c2noc([C@@]3(C)CCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000904734974 621633583 /nfs/dbraw/zinc/63/35/83/621633583.db2.gz QEZNKCUTCBSLAB-CQSZACIVSA-N 1 0 288.307 2.552 20 5 CFBDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905102820 621699613 /nfs/dbraw/zinc/69/96/13/621699613.db2.gz HUJYSSSHBYLPMK-VIFPVBQESA-N 1 0 276.258 2.503 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000905282488 621737590 /nfs/dbraw/zinc/73/75/90/621737590.db2.gz ZINRBVRICIWAOU-HUUCEWRRSA-N 1 0 262.353 2.827 20 5 CFBDRO Cc1ccc(COC(=O)CC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000905828277 621878623 /nfs/dbraw/zinc/87/86/23/621878623.db2.gz VFYKVLGVSBPIHS-UHFFFAOYSA-N 1 0 294.351 2.725 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000174950573 622447412 /nfs/dbraw/zinc/44/74/12/622447412.db2.gz UALZFVDYFRZRJA-GHMZBOCLSA-N 1 0 274.324 2.632 20 5 CFBDRO C[NH+](C)C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000175086353 622502346 /nfs/dbraw/zinc/50/23/46/622502346.db2.gz PWQZEKGFTZUTEZ-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CC(C)C(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000820706153 622741041 /nfs/dbraw/zinc/74/10/41/622741041.db2.gz JOLQALLZHOVJQJ-UHFFFAOYSA-N 1 0 273.239 2.527 20 5 CFBDRO Cc1ccc(C[NH2+]C(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000226743427 623089226 /nfs/dbraw/zinc/08/92/26/623089226.db2.gz LGUQHKGSURYANO-UHFFFAOYSA-N 1 0 266.341 2.542 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000230669568 623289690 /nfs/dbraw/zinc/28/96/90/623289690.db2.gz NWAYSAORBFTGTP-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230696727 623292656 /nfs/dbraw/zinc/29/26/56/623292656.db2.gz FMVUVECLGOXWIB-DGCLKSJQSA-N 1 0 266.366 2.969 20 5 CFBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000173388384 623346095 /nfs/dbraw/zinc/34/60/95/623346095.db2.gz ZJBQFVPEWHSJDR-YPMHNXCESA-N 1 0 266.345 2.649 20 5 CFBDRO Cc1cncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000231885153 623372918 /nfs/dbraw/zinc/37/29/18/623372918.db2.gz ISZXBILJVVULLW-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO C[Si](C)(C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167297 623436560 /nfs/dbraw/zinc/43/65/60/623436560.db2.gz GCQXTDIZAIJMRC-UHFFFAOYSA-N 1 0 264.401 2.830 20 5 CFBDRO CCC1(CC)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834379161 625648332 /nfs/dbraw/zinc/64/83/32/625648332.db2.gz VZOOVNFZXMBGKL-AWEZNQCLSA-N 1 0 278.352 2.750 20 5 CFBDRO CC(C)(C)[C@H](C[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842475035 623474935 /nfs/dbraw/zinc/47/49/35/623474935.db2.gz HHNNSHRLXZFVFH-LBPRGKRZSA-N 1 0 285.775 2.711 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915209923 623998610 /nfs/dbraw/zinc/99/86/10/623998610.db2.gz WAIBTVQDFBKTPS-LLVKDONJSA-N 1 0 276.340 2.878 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(CO)CCC1 ZINC000827903408 624124509 /nfs/dbraw/zinc/12/45/09/624124509.db2.gz GXUUHQRPNLWGBE-UHFFFAOYSA-N 1 0 284.743 2.595 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOc1ccccc1[N+](=O)[O-] ZINC000916475294 624248585 /nfs/dbraw/zinc/24/85/85/624248585.db2.gz ZSXBEAIIWMMJBX-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000917090826 624309703 /nfs/dbraw/zinc/30/97/03/624309703.db2.gz RXXJLSWQDXPTMT-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO C[C@@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000828901703 624325790 /nfs/dbraw/zinc/32/57/90/624325790.db2.gz ACDSEXNHFYMSQN-LLVKDONJSA-N 1 0 293.367 2.550 20 5 CFBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000828967506 624344419 /nfs/dbraw/zinc/34/44/19/624344419.db2.gz QDCXDMNOXVFXNC-JTQLQIEISA-N 1 0 298.364 2.688 20 5 CFBDRO COc1ccc(OCC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000917931652 624396951 /nfs/dbraw/zinc/39/69/51/624396951.db2.gz PHVXVABLJZNAQC-GFCCVEGCSA-N 1 0 294.351 2.857 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000829572228 624457471 /nfs/dbraw/zinc/45/74/71/624457471.db2.gz HLUXTTOAGWNRHG-GFCCVEGCSA-N 1 0 281.331 2.653 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905593 625918146 /nfs/dbraw/zinc/91/81/46/625918146.db2.gz ZUBGWVZLDKNSPL-SNVBAGLBSA-N 1 0 295.383 2.625 20 5 CFBDRO CC(C)(C)C1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000840765527 625919506 /nfs/dbraw/zinc/91/95/06/625919506.db2.gz WKFPHTSGEYCWMO-CQSZACIVSA-N 1 0 278.352 2.606 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921548006 625984124 /nfs/dbraw/zinc/98/41/24/625984124.db2.gz VTBDCKJOAHUQAK-AEGPPILISA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OCC3)cc1 ZINC000921564713 625988869 /nfs/dbraw/zinc/98/88/69/625988869.db2.gz WKLYMJVKTSCSFY-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC=CC3)CC2)cc1 ZINC000851714912 634484293 /nfs/dbraw/zinc/48/42/93/634484293.db2.gz JZMDOZOPEBCQBE-UHFFFAOYSA-N 1 0 287.363 2.683 20 5 CFBDRO COC(OC)[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000922310815 626265968 /nfs/dbraw/zinc/26/59/68/626265968.db2.gz IIKKDBGZFZONRP-LLVKDONJSA-N 1 0 296.367 2.815 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000922812197 626368547 /nfs/dbraw/zinc/36/85/47/626368547.db2.gz PFFQKJLHTXVUAD-CQSZACIVSA-N 1 0 264.325 2.644 20 5 CFBDRO COC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000922949173 626431458 /nfs/dbraw/zinc/43/14/58/626431458.db2.gz CCFOFIQGABRCDD-CQSZACIVSA-N 1 0 280.368 2.911 20 5 CFBDRO CC(C)[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000075666430 626461719 /nfs/dbraw/zinc/46/17/19/626461719.db2.gz LOPHAZRXFNDUMF-UHFFFAOYSA-N 1 0 274.324 2.775 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534430 626479015 /nfs/dbraw/zinc/47/90/15/626479015.db2.gz OMQYQWMYHJSOBK-XJKSGUPXSA-N 1 0 289.379 2.874 20 5 CFBDRO CC[C@@H](C)C[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886033057 626482723 /nfs/dbraw/zinc/48/27/23/626482723.db2.gz RANHHSTYTCAZSR-LLVKDONJSA-N 1 0 251.330 2.858 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1F ZINC000839144560 626526003 /nfs/dbraw/zinc/52/60/03/626526003.db2.gz VEQXXEWBXOOZBJ-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000759838034 626695088 /nfs/dbraw/zinc/69/50/88/626695088.db2.gz VFJNTCTYVWONCY-TZMCWYRMSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCCC2)cc1Cl ZINC000761509897 626841375 /nfs/dbraw/zinc/84/13/75/626841375.db2.gz AVJTYUDHAGDISJ-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO C[C@@H](CC[NH+](C)C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524167 626842412 /nfs/dbraw/zinc/84/24/12/626842412.db2.gz WNCOBPZRMUFMKS-JTQLQIEISA-N 1 0 285.775 2.678 20 5 CFBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765026010 627113959 /nfs/dbraw/zinc/11/39/59/627113959.db2.gz BXDCIBWTTWGBPE-MNOVXSKESA-N 1 0 288.351 2.941 20 5 CFBDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272567 627189147 /nfs/dbraw/zinc/18/91/47/627189147.db2.gz YWAVGOKXJINYJS-OLZOCXBDSA-N 1 0 277.368 2.730 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000770000854 627495984 /nfs/dbraw/zinc/49/59/84/627495984.db2.gz KEFIXRCDRHSVCW-AWEZNQCLSA-N 1 0 276.336 2.647 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774158216 627895230 /nfs/dbraw/zinc/89/52/30/627895230.db2.gz MWEZTNVUWFVLON-GDBMZVCRSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CCO)C1CC1)CCC2 ZINC000774252280 627908941 /nfs/dbraw/zinc/90/89/41/627908941.db2.gz KUQRSJDEGGJQLM-HOTGVXAUSA-N 1 0 290.363 2.723 20 5 CFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782467 628066993 /nfs/dbraw/zinc/06/69/93/628066993.db2.gz IDVBSGKKOHZIRO-KCPJHIHWSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782465 628067577 /nfs/dbraw/zinc/06/75/77/628067577.db2.gz IDVBSGKKOHZIRO-DFBGVHRSSA-N 1 0 278.352 2.749 20 5 CFBDRO Cc1occc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276896 628125019 /nfs/dbraw/zinc/12/50/19/628125019.db2.gz LPZUQHGXOFWPBL-OAHLLOKOSA-N 1 0 290.319 2.662 20 5 CFBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000776272284 628125310 /nfs/dbraw/zinc/12/53/10/628125310.db2.gz SMCBPIBHEUBVHL-HNNXBMFYSA-N 1 0 278.352 2.750 20 5 CFBDRO CO[C@@H]1CC[C@@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038766 634632921 /nfs/dbraw/zinc/63/29/21/634632921.db2.gz RHKUSQSVWLXGIA-ZIAGYGMSSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579530 628160347 /nfs/dbraw/zinc/16/03/47/628160347.db2.gz MOAWOBQTATZVPG-SMDDNHRTSA-N 1 0 290.319 2.914 20 5 CFBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776585653 628161569 /nfs/dbraw/zinc/16/15/69/628161569.db2.gz ZAJPZOKTABWHRN-AWEZNQCLSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000776587089 628162430 /nfs/dbraw/zinc/16/24/30/628162430.db2.gz DYJXQVKDMQPFDW-OAHLLOKOSA-N 1 0 290.363 2.894 20 5 CFBDRO CC[C@@H](C)C[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592560 628163345 /nfs/dbraw/zinc/16/33/45/628163345.db2.gz PWIQCIYJFWBKMB-IUODEOHRSA-N 1 0 280.368 2.996 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000852096461 634651079 /nfs/dbraw/zinc/65/10/79/634651079.db2.gz KYADKIGIBVADDT-FZMZJTMJSA-N 1 0 294.351 2.787 20 5 CFBDRO CCC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779859077 628415014 /nfs/dbraw/zinc/41/50/14/628415014.db2.gz OYBQJWNZPBPKSD-UHFFFAOYSA-N 1 0 280.372 2.958 20 5 CFBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1O ZINC000783731253 628738689 /nfs/dbraw/zinc/73/86/89/628738689.db2.gz YYWMBTMBCRYBOA-ZDUSSCGKSA-N 1 0 298.770 2.841 20 5 CFBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000790118208 629211377 /nfs/dbraw/zinc/21/13/77/629211377.db2.gz WKWDXABRRCIQGC-UHFFFAOYSA-N 1 0 297.270 2.600 20 5 CFBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000790757066 629260349 /nfs/dbraw/zinc/26/03/49/629260349.db2.gz BGDGDNCDRPCBOV-RAIGVLPGSA-N 1 0 292.335 2.587 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000791052449 629284372 /nfs/dbraw/zinc/28/43/72/629284372.db2.gz OFJWCKJQQZQVBS-CHWSQXEVSA-N 1 0 298.408 2.693 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852457090 634749389 /nfs/dbraw/zinc/74/93/89/634749389.db2.gz OQCDQKHBQHATTQ-RISCZKNCSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000794683489 629674261 /nfs/dbraw/zinc/67/42/61/629674261.db2.gz FTMWKVNMWCAJAW-LBPRGKRZSA-N 1 0 280.372 2.876 20 5 CFBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534983 634772749 /nfs/dbraw/zinc/77/27/49/634772749.db2.gz SPYHJHQZXRPQHO-FZMZJTMJSA-N 1 0 296.754 2.717 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N(C)CCC[NH+]1CCCC1 ZINC000798403816 630187030 /nfs/dbraw/zinc/18/70/30/630187030.db2.gz HMOXZQSCSDKOOQ-UHFFFAOYSA-N 1 0 277.368 2.825 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801526331 630453672 /nfs/dbraw/zinc/45/36/72/630453672.db2.gz LAUCMWURRVVYGK-NEPJUHHUSA-N 1 0 295.358 2.648 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)C(C)C ZINC000804407553 630679547 /nfs/dbraw/zinc/67/95/47/630679547.db2.gz WGMBBKGEDFBLIB-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO CCCC[N@H+](C)CCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807972048 630928162 /nfs/dbraw/zinc/92/81/62/630928162.db2.gz LEOLKEAOGOLQBW-UHFFFAOYSA-N 1 0 293.367 2.941 20 5 CFBDRO CC1(C)CC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000808421534 630989487 /nfs/dbraw/zinc/98/94/87/630989487.db2.gz LPIYDQJCMZSSRP-CQSZACIVSA-N 1 0 292.335 2.644 20 5 CFBDRO CC(C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480171 631568217 /nfs/dbraw/zinc/56/82/17/631568217.db2.gz SFNVEELXXGUOEM-UHFFFAOYSA-N 1 0 293.150 2.762 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000811869387 631634513 /nfs/dbraw/zinc/63/45/13/631634513.db2.gz MOIKLXFNQSXMSD-NSHDSACASA-N 1 0 280.372 2.709 20 5 CFBDRO CC[N@H+](CCSC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000842644284 631689471 /nfs/dbraw/zinc/68/94/71/631689471.db2.gz LHUCBVGKTSEPLF-UHFFFAOYSA-N 1 0 294.380 2.587 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843051234 631815240 /nfs/dbraw/zinc/81/52/40/631815240.db2.gz GAJRRHIZYYGWDK-WDEREUQCSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000843055448 631819285 /nfs/dbraw/zinc/81/92/85/631819285.db2.gz JLNLABBRJMZCQD-CYBMUJFWSA-N 1 0 295.770 2.575 20 5 CFBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843365089 631939217 /nfs/dbraw/zinc/93/92/17/631939217.db2.gz BZJUJUPEGZGFNF-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000814651363 632103569 /nfs/dbraw/zinc/10/35/69/632103569.db2.gz GWNXPVGMRWNAGB-TUHYSUIHSA-N 1 0 290.363 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000814651361 632103896 /nfs/dbraw/zinc/10/38/96/632103896.db2.gz GWNXPVGMRWNAGB-DCNYZXSGSA-N 1 0 290.363 2.797 20 5 CFBDRO Cc1c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000844450134 632217005 /nfs/dbraw/zinc/21/70/05/632217005.db2.gz FWORGLNAGYVYQS-PHIMTYICSA-N 1 0 268.263 2.600 20 5 CFBDRO Cc1occc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568749 632290453 /nfs/dbraw/zinc/29/04/53/632290453.db2.gz SMZADBHDSVARNZ-SECBINFHSA-N 1 0 275.308 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CC4)CC2)cc1 ZINC000818355637 632837152 /nfs/dbraw/zinc/83/71/52/632837152.db2.gz AQDRYUXZRHPRBD-HNNXBMFYSA-N 1 0 287.363 2.706 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818359700 632838074 /nfs/dbraw/zinc/83/80/74/632838074.db2.gz KVULMFJDEQLMKT-KXGXSXBTSA-N 1 0 261.325 2.626 20 5 CFBDRO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000847027152 632892652 /nfs/dbraw/zinc/89/26/52/632892652.db2.gz NFJXETNHIXPNKO-CQSZACIVSA-N 1 0 266.341 2.749 20 5 CFBDRO CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819041292 632940624 /nfs/dbraw/zinc/94/06/24/632940624.db2.gz CHHULCTVSPQSMD-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819112221 632967559 /nfs/dbraw/zinc/96/75/59/632967559.db2.gz BRGAOPAQBJOOSK-BNOWGMLFSA-N 1 0 296.392 2.502 20 5 CFBDRO CC(C)C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819185715 633006010 /nfs/dbraw/zinc/00/60/10/633006010.db2.gz LAGIZNPIFVOKGE-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@@H](CCC1CC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819236594 633033710 /nfs/dbraw/zinc/03/37/10/633033710.db2.gz KUUKBDNELMORIG-NHYWBVRUSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819363582 633111452 /nfs/dbraw/zinc/11/14/52/633111452.db2.gz JOQXNFNMLROTQU-KFWWJZLASA-N 1 0 278.352 2.652 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCCC2)c1 ZINC000848473564 633263498 /nfs/dbraw/zinc/26/34/98/633263498.db2.gz ISPNNTJSOLXPRL-UHFFFAOYSA-N 1 0 272.308 2.512 20 5 CFBDRO C[C@H]1CCCN1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530853 633279309 /nfs/dbraw/zinc/27/93/09/633279309.db2.gz HLZSZWGITYFWFW-WFASDCNBSA-N 1 0 289.379 2.656 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOC1CCC1 ZINC000848539843 633283225 /nfs/dbraw/zinc/28/32/25/633283225.db2.gz JJEKIGJENJRGBF-CQSZACIVSA-N 1 0 276.336 2.741 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C=CCC1 ZINC000850358190 633954320 /nfs/dbraw/zinc/95/43/20/633954320.db2.gz JTWFVSAIIWFXMH-GFCCVEGCSA-N 1 0 262.309 2.802 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850386453 633969982 /nfs/dbraw/zinc/96/99/82/633969982.db2.gz KLBKYPLOIQRDBU-NSHDSACASA-N 1 0 298.770 2.746 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1SCCS1 ZINC000850401684 633977851 /nfs/dbraw/zinc/97/78/51/633977851.db2.gz FDJLEZSFAPKOAZ-UHFFFAOYSA-N 1 0 284.406 2.799 20 5 CFBDRO CCC(CC)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+](C)C ZINC000853136059 634918051 /nfs/dbraw/zinc/91/80/51/634918051.db2.gz SHTABFZLSRXQPQ-OAHLLOKOSA-N 1 0 294.399 2.955 20 5 CFBDRO C[NH+](C)C[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853474853 635010744 /nfs/dbraw/zinc/01/07/44/635010744.db2.gz REWBMCVALOTPFC-SNVBAGLBSA-N 1 0 299.321 2.920 20 5 CFBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000111363514 635022528 /nfs/dbraw/zinc/02/25/28/635022528.db2.gz JZIFDHKRCBJPIZ-UHFFFAOYSA-N 1 0 288.351 2.543 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000853868222 635140990 /nfs/dbraw/zinc/14/09/90/635140990.db2.gz YQFRSZCMSIXNEY-GFCCVEGCSA-N 1 0 292.383 2.709 20 5 CFBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000857226344 635952700 /nfs/dbraw/zinc/95/27/00/635952700.db2.gz LBYOMGIVDZNIHL-RISCZKNCSA-N 1 0 295.770 2.561 20 5 CFBDRO Cc1ncccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858518332 636280158 /nfs/dbraw/zinc/28/01/58/636280158.db2.gz GNNGOUMPMVLBHS-SNVBAGLBSA-N 1 0 286.335 2.731 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000858609587 636307227 /nfs/dbraw/zinc/30/72/27/636307227.db2.gz VPMCOAZPQRUFBU-UHFFFAOYSA-N 1 0 296.327 2.693 20 5 CFBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000047889125 650247735 /nfs/dbraw/zinc/24/77/35/650247735.db2.gz UKGQHTUNRJGXAO-UHFFFAOYSA-N 1 0 288.351 2.657 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000119016910 637460223 /nfs/dbraw/zinc/46/02/23/637460223.db2.gz VQCDOOHHGVVBJI-ZDUSSCGKSA-N 1 0 298.770 2.984 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000863563559 637697219 /nfs/dbraw/zinc/69/72/19/637697219.db2.gz PSFGIVVCZHLITM-UNIGVISCSA-N 1 0 290.363 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CC=CCC2)cc1 ZINC000863578209 637701184 /nfs/dbraw/zinc/70/11/84/637701184.db2.gz HHUHIXLGHOYYDW-CZUORRHYSA-N 1 0 290.363 2.964 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000863642918 637723953 /nfs/dbraw/zinc/72/39/53/637723953.db2.gz CKUGHIKTUDHJIW-ZDUSSCGKSA-N 1 0 295.770 2.622 20 5 CFBDRO CC[NH2+][C@@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000863676913 637741847 /nfs/dbraw/zinc/74/18/47/637741847.db2.gz DXZQHZULUHJUMG-VIFPVBQESA-N 1 0 276.296 2.624 20 5 CFBDRO CSCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000076772362 650403685 /nfs/dbraw/zinc/40/36/85/650403685.db2.gz WLQUBIGCBCNSOA-SNVBAGLBSA-N 1 0 254.355 2.826 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000865565518 638427944 /nfs/dbraw/zinc/42/79/44/638427944.db2.gz ZBFJQNZEMFVKLL-VIFPVBQESA-N 1 0 255.343 2.553 20 5 CFBDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000865697829 638521211 /nfs/dbraw/zinc/52/12/11/638521211.db2.gz FXTTWIGLAWAKEX-ZIAGYGMSSA-N 1 0 278.352 2.624 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000865699593 638523489 /nfs/dbraw/zinc/52/34/89/638523489.db2.gz WOFUGKKAZZSQNZ-NWDGAFQWSA-N 1 0 252.289 2.965 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865761788 638558469 /nfs/dbraw/zinc/55/84/69/638558469.db2.gz QSJPRJDAYFSHBM-GOEBONIOSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1 ZINC000865778589 638568622 /nfs/dbraw/zinc/56/86/22/638568622.db2.gz LRJAINKWBNISCK-AWEZNQCLSA-N 1 0 290.363 2.891 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)C[C@@H](C)O ZINC000865873240 638632036 /nfs/dbraw/zinc/63/20/36/638632036.db2.gz UMGJSSCOXWUJQJ-DGCLKSJQSA-N 1 0 296.367 2.633 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)c(F)c1 ZINC000865874714 638634189 /nfs/dbraw/zinc/63/41/89/638634189.db2.gz HGZAXRNZNABARO-OAHLLOKOSA-N 1 0 296.342 2.765 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCOC1 ZINC000866239703 638777838 /nfs/dbraw/zinc/77/78/38/638777838.db2.gz WZXGOADUNCQDDE-VXGBXAGGSA-N 1 0 296.342 2.681 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866252719 638780725 /nfs/dbraw/zinc/78/07/25/638780725.db2.gz OBMKVUVJCXDNKY-MNOVXSKESA-N 1 0 284.331 2.680 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866254069 638781202 /nfs/dbraw/zinc/78/12/02/638781202.db2.gz KVILJUAKGNIJTM-GHMZBOCLSA-N 1 0 284.331 2.680 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866276284 638787153 /nfs/dbraw/zinc/78/71/53/638787153.db2.gz MVGMRIQOMMLIOZ-ABAIWWIYSA-N 1 0 298.358 2.926 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000866357285 638803457 /nfs/dbraw/zinc/80/34/57/638803457.db2.gz RUUPXQYUSYQQIK-NSHDSACASA-N 1 0 294.326 2.601 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000866362170 638804344 /nfs/dbraw/zinc/80/43/44/638804344.db2.gz BBEBOWOYXPBXKP-IINYFYTJSA-N 1 0 298.358 2.804 20 5 CFBDRO CCC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])COC1 ZINC000866372305 638807798 /nfs/dbraw/zinc/80/77/98/638807798.db2.gz QZYMPQPYNMPPQB-LLVKDONJSA-N 1 0 296.342 2.681 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC12CC2 ZINC000866379556 638809641 /nfs/dbraw/zinc/80/96/41/638809641.db2.gz PVZXYXQNGOMIMC-ZANVPECISA-N 1 0 264.300 2.807 20 5 CFBDRO Cc1nn(C[N@H+](C)CC2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121111483 638835388 /nfs/dbraw/zinc/83/53/88/638835388.db2.gz WNBCYSPPVLZIFN-UHFFFAOYSA-N 1 0 274.324 2.552 20 5 CFBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000866540681 638838668 /nfs/dbraw/zinc/83/86/68/638838668.db2.gz RNRDQXMWOVYVKX-GFCCVEGCSA-N 1 0 288.351 2.796 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000866541341 638839101 /nfs/dbraw/zinc/83/91/01/638839101.db2.gz YQHIEMCWOOOUTR-SWLSCSKDSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866634509 638858290 /nfs/dbraw/zinc/85/82/90/638858290.db2.gz RUBSCVDFPZBRKH-GYSYKLTISA-N 1 0 278.352 2.721 20 5 CFBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000866634511 638858507 /nfs/dbraw/zinc/85/85/07/638858507.db2.gz RUBSCVDFPZBRKH-MISXGVKJSA-N 1 0 278.352 2.721 20 5 CFBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000866702656 638867743 /nfs/dbraw/zinc/86/77/43/638867743.db2.gz DGSUCIPEOKVDAH-CQSZACIVSA-N 1 0 297.424 2.853 20 5 CFBDRO Cc1cccc(C(=O)O[C@@H](C[NH+](C)C)C(C)C)c1[N+](=O)[O-] ZINC000870570873 639728088 /nfs/dbraw/zinc/72/80/88/639728088.db2.gz DZGHXKDPEHZWNW-ZDUSSCGKSA-N 1 0 294.351 2.646 20 5 CFBDRO C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026040 641558437 /nfs/dbraw/zinc/55/84/37/641558437.db2.gz XXZQGDAPCSBOJN-IINYFYTJSA-N 1 0 295.358 2.725 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034948 641565468 /nfs/dbraw/zinc/56/54/68/641565468.db2.gz SJASKWUBWMUZEN-NOZJJQNGSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040603 641574407 /nfs/dbraw/zinc/57/44/07/641574407.db2.gz ZINXDPPVTONVFA-GARJFASQSA-N 1 0 282.315 2.810 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043545 641577803 /nfs/dbraw/zinc/57/78/03/641577803.db2.gz JFHQUHIBPSORQR-VHSXEESVSA-N 1 0 270.304 2.546 20 5 CFBDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043052 641578153 /nfs/dbraw/zinc/57/81/53/641578153.db2.gz VNEDJLFDYGWBDM-HZMBPMFUSA-N 1 0 282.315 2.954 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053506 641588310 /nfs/dbraw/zinc/58/83/10/641588310.db2.gz KQUFVMBVHKJLBV-OUAUKWLOSA-N 1 0 282.315 2.952 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC1 ZINC000872053854 641588495 /nfs/dbraw/zinc/58/84/95/641588495.db2.gz XPVAWSQBHNWTNG-UWVGGRQHSA-N 1 0 282.365 2.756 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872071936 641603289 /nfs/dbraw/zinc/60/32/89/641603289.db2.gz AGZTWQWONOPVJZ-RNCFNFMXSA-N 1 0 282.315 2.810 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872073209 641604985 /nfs/dbraw/zinc/60/49/85/641604985.db2.gz OROOCLYXBRCPOD-ZJUUUORDSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872076959 641609445 /nfs/dbraw/zinc/60/94/45/641609445.db2.gz WMWPHXREBNTZJK-COPLHBTASA-N 1 0 296.342 2.936 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129799 641658221 /nfs/dbraw/zinc/65/82/21/641658221.db2.gz UTQIKHKGJSFSQL-UPJWGTAASA-N 1 0 289.379 2.871 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](O)CCC(C)C)cc1[N+](=O)[O-] ZINC000872231673 641710402 /nfs/dbraw/zinc/71/04/02/641710402.db2.gz OSMLVGZOXAQGNU-CQSZACIVSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)CCC(C)C)cc1[N+](=O)[O-] ZINC000872231669 641710493 /nfs/dbraw/zinc/71/04/93/641710493.db2.gz OSMLVGZOXAQGNU-AWEZNQCLSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000872779613 641933933 /nfs/dbraw/zinc/93/39/33/641933933.db2.gz HFSWPQNVKDPZEN-HUUCEWRRSA-N 1 0 275.352 2.576 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)N(C)C ZINC000873007394 641983427 /nfs/dbraw/zinc/98/34/27/641983427.db2.gz OQPLNJUDJCCCAA-UHFFFAOYSA-N 1 0 279.384 2.641 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000873043120 641994018 /nfs/dbraw/zinc/99/40/18/641994018.db2.gz LRIGXOLXEFNYHJ-ZDUSSCGKSA-N 1 0 289.379 2.538 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000873043115 641994085 /nfs/dbraw/zinc/99/40/85/641994085.db2.gz LRIGXOLXEFNYHJ-CYBMUJFWSA-N 1 0 289.379 2.538 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873052360 641996604 /nfs/dbraw/zinc/99/66/04/641996604.db2.gz WHIPBFUQRKAUEX-NHYWBVRUSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)C[C@@H](C)O ZINC000873058507 641998926 /nfs/dbraw/zinc/99/89/26/641998926.db2.gz PKTNTZWBVCSTKJ-ZYHUDNBSSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CCO)C(C)C ZINC000873062863 641999821 /nfs/dbraw/zinc/99/98/21/641999821.db2.gz CNQPRDHFXYEUMX-CQSZACIVSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCSC1 ZINC000873064226 642000454 /nfs/dbraw/zinc/00/04/54/642000454.db2.gz RAACVPFTBYXZCT-NSHDSACASA-N 1 0 266.366 2.807 20 5 CFBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873065347 642001009 /nfs/dbraw/zinc/00/10/09/642001009.db2.gz CHCVNPXHMSFZNA-RISCZKNCSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1c(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000873072424 642004225 /nfs/dbraw/zinc/00/42/25/642004225.db2.gz WYUWFDMTOJNKHM-HOTGVXAUSA-N 1 0 292.379 2.934 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873101784 642013686 /nfs/dbraw/zinc/01/36/86/642013686.db2.gz YLNGARFTOCEYSF-UKRRQHHQSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1c(C[NH2+]CC2([C@@H](O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873100664 642013996 /nfs/dbraw/zinc/01/39/96/642013996.db2.gz AUZFPVHDXRJHHV-HNNXBMFYSA-N 1 0 292.379 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCCCO ZINC000873101299 642014073 /nfs/dbraw/zinc/01/40/73/642014073.db2.gz RYRGOLYYHQUSRZ-UHFFFAOYSA-N 1 0 280.368 2.854 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000873132296 642023813 /nfs/dbraw/zinc/02/38/13/642023813.db2.gz NXLMTWJRXVPVOA-JSGCOSHPSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1c(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873133595 642024569 /nfs/dbraw/zinc/02/45/69/642024569.db2.gz FJGKRDWBDJONNM-CQSZACIVSA-N 1 0 291.395 2.866 20 5 CFBDRO Cc1c(C[NH2+]CC[C@H](O)C2CCCC2)cccc1[N+](=O)[O-] ZINC000873152423 642033405 /nfs/dbraw/zinc/03/34/05/642033405.db2.gz OTEXCNNSZSEBKI-INIZCTEOSA-N 1 0 292.379 2.934 20 5 CFBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873152401 642033663 /nfs/dbraw/zinc/03/36/63/642033663.db2.gz OILHJVNRGVPZTO-YPMHNXCESA-N 1 0 280.368 2.851 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cccc1[N+](=O)[O-] ZINC000873156824 642039599 /nfs/dbraw/zinc/03/95/99/642039599.db2.gz YZPJHRDGFFGYLY-INWMFGNUSA-N 1 0 290.363 2.950 20 5 CFBDRO [NH3+][C@H]1CCCCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000873216814 642071192 /nfs/dbraw/zinc/07/11/92/642071192.db2.gz YKMWFNIRBZIAHQ-LBPRGKRZSA-N 1 0 297.786 2.952 20 5 CFBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c(Cl)c1 ZINC000873230417 642083036 /nfs/dbraw/zinc/08/30/36/642083036.db2.gz RCMUPIYTQYQHEK-KBPBESRZSA-N 1 0 295.770 2.622 20 5 CFBDRO CSCC[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125023283 642393318 /nfs/dbraw/zinc/39/33/18/642393318.db2.gz PKRMFDKMFBOUPO-MRVPVSSYSA-N 1 0 260.384 2.888 20 5 CFBDRO COC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876554640 642919625 /nfs/dbraw/zinc/91/96/25/642919625.db2.gz QZZAWUZPGHEYID-UHFFFAOYSA-N 1 0 278.352 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCCCO)C1CC1 ZINC000876731354 642986163 /nfs/dbraw/zinc/98/61/63/642986163.db2.gz IYCHIBRENCYUGV-UHFFFAOYSA-N 1 0 292.379 2.949 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCOC[C@@H]1C ZINC000876752198 642993956 /nfs/dbraw/zinc/99/39/56/642993956.db2.gz JESCVGQYCHOQNV-LBPRGKRZSA-N 1 0 278.352 2.822 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000876757930 642997313 /nfs/dbraw/zinc/99/73/13/642997313.db2.gz CNXUCNKOKVWOHS-OAHLLOKOSA-N 1 0 278.352 2.558 20 5 CFBDRO Cc1ncc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000877115942 643158744 /nfs/dbraw/zinc/15/87/44/643158744.db2.gz XDKFXECHUCJWRX-UHFFFAOYSA-N 1 0 291.376 2.735 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000877488987 643304296 /nfs/dbraw/zinc/30/42/96/643304296.db2.gz KCDSWNCLIGZPJV-INIZCTEOSA-N 1 0 292.379 2.949 20 5 CFBDRO CC(C)(CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000877555553 643357654 /nfs/dbraw/zinc/35/76/54/643357654.db2.gz VWNFLLBEGCDQHG-UHFFFAOYSA-N 1 0 292.383 2.911 20 5 CFBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877562085 643360988 /nfs/dbraw/zinc/36/09/88/643360988.db2.gz OPYOZCUDROGPBC-KBHBFKLGSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000877605993 643393083 /nfs/dbraw/zinc/39/30/83/643393083.db2.gz YYWLFPCHNWEVQS-CJNGLKHVSA-N 1 0 290.363 2.822 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000877628025 643412896 /nfs/dbraw/zinc/41/28/96/643412896.db2.gz ADFAPDILNOCIQK-IRXDYDNUSA-N 1 0 298.342 2.905 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877667368 643443073 /nfs/dbraw/zinc/44/30/73/643443073.db2.gz OBYHPHYDQIXRJK-NSHDSACASA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cs1 ZINC000877736900 643497250 /nfs/dbraw/zinc/49/72/50/643497250.db2.gz BSOGBOLQDLJEAM-WDEREUQCSA-N 1 0 284.406 2.841 20 5 CFBDRO CC1(C)C[C@@H](O)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877752415 643529365 /nfs/dbraw/zinc/52/93/65/643529365.db2.gz FKPPYCGXPGEJPO-BRLPQQTGSA-N 1 0 290.363 2.701 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H](O)C2CCCC2)cc1 ZINC000877777911 643554421 /nfs/dbraw/zinc/55/44/21/643554421.db2.gz ICTCWKAPVKQZDI-MRXNPFEDSA-N 1 0 292.379 2.668 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877796659 643562852 /nfs/dbraw/zinc/56/28/52/643562852.db2.gz RWNNFRLYCFWOGD-CQSZACIVSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827675 643593073 /nfs/dbraw/zinc/59/30/73/643593073.db2.gz IVCMMSCHQTWBEJ-HOSYDEDBSA-N 1 0 266.366 2.997 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827673 643593582 /nfs/dbraw/zinc/59/35/82/643593582.db2.gz IVCMMSCHQTWBEJ-CKYFFXLPSA-N 1 0 266.366 2.997 20 5 CFBDRO CC(C)(O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877835345 643602475 /nfs/dbraw/zinc/60/24/75/643602475.db2.gz PKSULHPASVZALB-DYLGSBMWSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000126884742 643729948 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CC(C)[NH+](CCNc1ccnc(F)c1[N+](=O)[O-])C(C)C ZINC000881746732 645120580 /nfs/dbraw/zinc/12/05/80/645120580.db2.gz KHUKYNVYIXBYIQ-UHFFFAOYSA-N 1 0 284.335 2.660 20 5 CFBDRO CC(C)C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000881788259 645128111 /nfs/dbraw/zinc/12/81/11/645128111.db2.gz XKNXYZYKDBBBJX-JTQLQIEISA-N 1 0 284.335 2.517 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CO)CC1CCC1 ZINC000883126670 645615358 /nfs/dbraw/zinc/61/53/58/645615358.db2.gz WXQQUTHKOYKSTD-CQSZACIVSA-N 1 0 292.379 2.852 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCC3(CC3)C2)cc1 ZINC000883186985 645649533 /nfs/dbraw/zinc/64/95/33/645649533.db2.gz CZRLIYXKRYTGNN-HIFRSBDPSA-N 1 0 290.363 2.941 20 5 CFBDRO C=C/C=C/CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883268408 645710516 /nfs/dbraw/zinc/71/05/16/645710516.db2.gz KHENETDTASBIRM-SGUJLRQBSA-N 1 0 261.325 2.960 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000883270231 645712512 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CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886143249 646893296 /nfs/dbraw/zinc/89/32/96/646893296.db2.gz XRXYIZDBDGLTPI-UONOGXRCSA-N 1 0 293.367 2.673 20 5 CFBDRO COCC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000886168717 646904742 /nfs/dbraw/zinc/90/47/42/646904742.db2.gz XOSWJOLFYOZZFZ-TZMCWYRMSA-N 1 0 293.367 2.627 20 5 CFBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000886249257 646937262 /nfs/dbraw/zinc/93/72/62/646937262.db2.gz GHWVBUWRQXMOSZ-NWDGAFQWSA-N 1 0 263.341 2.904 20 5 CFBDRO C[C@H]1CC(F)(F)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886301076 646958673 /nfs/dbraw/zinc/95/86/73/646958673.db2.gz VQNUTMTVFMWKON-VIFPVBQESA-N 1 0 271.267 2.609 20 5 CFBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000104219660 647560162 /nfs/dbraw/zinc/56/01/62/647560162.db2.gz BGBQUCODAPIKPT-UHFFFAOYSA-N 1 0 273.283 2.896 20 5 CFBDRO C[C@H]1COC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925465112 648175875 /nfs/dbraw/zinc/17/58/75/648175875.db2.gz 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C[C@@H](COc1ccccc1)OCCC[N+](C)(C)C ZINC001224622691 775229205 /nfs/dbraw/zinc/22/92/05/775229205.db2.gz ITQUMUBBPZPOQQ-AWEZNQCLSA-N 1 0 252.378 2.567 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCCCC(=O)OCc1ccccc1 ZINC001224737353 775261915 /nfs/dbraw/zinc/26/19/15/775261915.db2.gz YCZDAORATGIWBS-HNNXBMFYSA-N 1 0 294.415 2.621 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224775119 775270168 /nfs/dbraw/zinc/27/01/68/775270168.db2.gz IYRXUVCVSYXUPW-INIZCTEOSA-N 1 0 295.422 2.513 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000690779871 775344927 /nfs/dbraw/zinc/34/49/27/775344927.db2.gz OZAPWWLTWLOSTP-CMPLNLGQSA-N 1 0 296.754 2.717 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCCC[NH2+]C1 ZINC001217971203 775409391 /nfs/dbraw/zinc/40/93/91/775409391.db2.gz SQENBFCSKBGGOO-JTQLQIEISA-N 1 0 270.716 2.769 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1F ZINC001217981790 775418122 /nfs/dbraw/zinc/41/81/22/775418122.db2.gz QLZPUBMNOHZZCG-NOZJJQNGSA-N 1 0 286.278 2.511 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001218024035 775451351 /nfs/dbraw/zinc/45/13/51/775451351.db2.gz LXUDQMZYHQTVRD-FZMZJTMJSA-N 1 0 264.325 2.670 20 5 CFBDRO C[NH+](C)C1CCC(Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225430844 775454266 /nfs/dbraw/zinc/45/42/66/775454266.db2.gz HIRQSJDBJLOWAT-UHFFFAOYSA-N 1 0 299.758 2.895 20 5 CFBDRO Cc1cccc(-n2nc(C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001167698046 775528538 /nfs/dbraw/zinc/52/85/38/775528538.db2.gz SJILZQLINBGSEE-UHFFFAOYSA-N 1 0 282.303 2.701 20 5 CFBDRO Cc1cc(OC2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC001225660128 775545289 /nfs/dbraw/zinc/54/52/89/775545289.db2.gz CDTKHSQLYGIOFZ-UHFFFAOYSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001225683028 775557264 /nfs/dbraw/zinc/55/72/64/775557264.db2.gz PHCBUFKPMISTOI-GFCCVEGCSA-N 1 0 264.325 2.765 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000694744342 775559223 /nfs/dbraw/zinc/55/92/23/775559223.db2.gz ZBKLAOXVCPTRQD-DABQJJPHSA-N 1 0 278.352 2.949 20 5 CFBDRO Cc1nc(O[C@@H](C)C[N+](C)(C)C)ccc1Br ZINC001225748239 775581619 /nfs/dbraw/zinc/58/16/19/775581619.db2.gz CQCJCJLLPUCLIL-VIFPVBQESA-N 1 0 288.209 2.626 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC001225769328 775587611 /nfs/dbraw/zinc/58/76/11/775587611.db2.gz JRTMGUDZSNWFRA-LLVKDONJSA-N 1 0 282.340 2.713 20 5 CFBDRO CC[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225794963 775596099 /nfs/dbraw/zinc/59/60/99/775596099.db2.gz YVQYMGMWUVPMJV-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO C[C@H]1[NH2+]C[C@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218380784 775599566 /nfs/dbraw/zinc/59/95/66/775599566.db2.gz BCDGLRRIOGNMOL-GPXNAGAYSA-N 1 0 277.107 2.641 20 5 CFBDRO CC(=O)c1cc(F)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225837846 775609335 /nfs/dbraw/zinc/60/93/35/775609335.db2.gz RCESJHLMYYNUSX-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225905368 775629595 /nfs/dbraw/zinc/62/95/95/775629595.db2.gz RTSJFHMBKWVPSB-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[NH+](C)C1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225904925 775629795 /nfs/dbraw/zinc/62/97/95/775629795.db2.gz LAYTYTCZCYFMHW-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225959136 775649071 /nfs/dbraw/zinc/64/90/71/775649071.db2.gz KOIGSUAKFKBRGN-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2csc(N)n2)cc1 ZINC001226026999 775672974 /nfs/dbraw/zinc/67/29/74/775672974.db2.gz SFGCXSMVYODTHN-NSHDSACASA-N 1 0 292.428 2.866 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226130934 775710705 /nfs/dbraw/zinc/71/07/05/775710705.db2.gz YHVFGPFVHARIAC-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023991607 775719875 /nfs/dbraw/zinc/71/98/75/775719875.db2.gz VJWKAWZCAHAAQH-UHFFFAOYSA-N 1 0 299.758 2.919 20 5 CFBDRO C[N@@H+]1CC[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226446088 775825484 /nfs/dbraw/zinc/82/54/84/775825484.db2.gz JPFUUPHUILKDBZ-LBPRGKRZSA-N 1 0 278.352 2.975 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C(C)=O ZINC001226525352 775859732 /nfs/dbraw/zinc/85/97/32/775859732.db2.gz AEXHSXKBXKKKKX-LLVKDONJSA-N 1 0 294.351 2.907 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1OCCC[NH+]1CCCCC1 ZINC000695532709 775865871 /nfs/dbraw/zinc/86/58/71/775865871.db2.gz KMNRZVHFNGXLCD-UHFFFAOYSA-N 1 0 282.315 2.989 20 5 CFBDRO C[C@@H](Oc1cc[nH+]c(N)c1)c1cccc([N+](=O)[O-])c1 ZINC001226654026 775904928 /nfs/dbraw/zinc/90/49/28/775904928.db2.gz WIHNCAMBQWAJGI-SECBINFHSA-N 1 0 259.265 2.712 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763113 775952627 /nfs/dbraw/zinc/95/26/27/775952627.db2.gz JLMPAEASLDIHJY-CQSZACIVSA-N 1 0 264.325 2.846 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809615 775973577 /nfs/dbraw/zinc/97/35/77/775973577.db2.gz FKUXAZQWDDMIKR-JTQLQIEISA-N 1 0 270.716 2.721 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001226844480 775988690 /nfs/dbraw/zinc/98/86/90/775988690.db2.gz XUTYNUHFSXIDEI-CYBMUJFWSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1c(C[NH2+]CCc2ccoc2)cccc1[N+](=O)[O-] ZINC000692695674 776020895 /nfs/dbraw/zinc/02/08/95/776020895.db2.gz PDERBHGBKNJPPG-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001226968263 776038368 /nfs/dbraw/zinc/03/83/68/776038368.db2.gz FAFXHGYQAQQOLN-CLLJXQQHSA-N 1 0 276.336 2.907 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2c(C)cccc2[N+](=O)[O-])C1 ZINC001226970644 776038503 /nfs/dbraw/zinc/03/85/03/776038503.db2.gz BHKVFVDNKUSYAV-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nccc(C(F)(F)F)c1F ZINC001227023042 776064074 /nfs/dbraw/zinc/06/40/74/776064074.db2.gz OOQUDEIFZXQBAH-MRVPVSSYSA-N 1 0 281.273 2.713 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(C(F)(F)F)c1 ZINC001227071729 776083705 /nfs/dbraw/zinc/08/37/05/776083705.db2.gz TVGUIMLSFBUBKE-SECBINFHSA-N 1 0 263.283 2.574 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1OC ZINC001227185021 776127163 /nfs/dbraw/zinc/12/71/63/776127163.db2.gz NFCKYOWNEKPXTK-NSHDSACASA-N 1 0 282.340 2.713 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)CC1 ZINC001227234979 776149868 /nfs/dbraw/zinc/14/98/68/776149868.db2.gz WMBLJLJNFCMAGN-NSHDSACASA-N 1 0 291.307 2.599 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227480473 776211887 /nfs/dbraw/zinc/21/18/87/776211887.db2.gz NYCDIUHESRYFTN-HAQNSBGRSA-N 1 0 264.325 2.846 20 5 CFBDRO COc1ccc(Cl)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227697410 776260604 /nfs/dbraw/zinc/26/06/04/776260604.db2.gz PHNXKZCUBXAANM-SNVBAGLBSA-N 1 0 258.769 2.822 20 5 CFBDRO C[N@@H+]1CCC[C@H](OCc2ccccc2[N+](=O)[O-])CC1 ZINC001222758927 776294998 /nfs/dbraw/zinc/29/49/98/776294998.db2.gz ASWFJERPKSWMNG-ZDUSSCGKSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791843 776308614 /nfs/dbraw/zinc/30/86/14/776308614.db2.gz XGRPKGYSRPPTSO-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO COC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001227936457 776333677 /nfs/dbraw/zinc/33/36/77/776333677.db2.gz IZSHETTVIGDCAT-SNVBAGLBSA-N 1 0 286.779 2.600 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC001228015902 776364545 /nfs/dbraw/zinc/36/45/45/776364545.db2.gz HPEFIGITENIKBV-JTQLQIEISA-N 1 0 286.278 2.736 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001228015101 776365062 /nfs/dbraw/zinc/36/50/62/776365062.db2.gz SZNRGKBXLJZMRH-MYJAWHEDSA-N 1 0 297.742 2.647 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC001228055245 776378871 /nfs/dbraw/zinc/37/88/71/776378871.db2.gz RWVAHVOGQKHZAZ-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccnc(Cl)c1[N+](=O)[O-])C2 ZINC001228055684 776380133 /nfs/dbraw/zinc/38/01/33/776380133.db2.gz WBWFLVXWVBIJNM-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO Cc1cc(C)c(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001228229188 776428388 /nfs/dbraw/zinc/42/83/88/776428388.db2.gz FNLDGAJRTGJCBH-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc(Cl)cnc2n1 ZINC001228384390 776477478 /nfs/dbraw/zinc/47/74/78/776477478.db2.gz HCWLJFPCMPVWGS-JTQLQIEISA-N 1 0 280.779 2.757 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c3c1CCCN3CCC2 ZINC001228424850 776486723 /nfs/dbraw/zinc/48/67/23/776486723.db2.gz BRBBTANKYCOHQY-AWEZNQCLSA-N 1 0 289.443 2.859 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228609189 776538809 /nfs/dbraw/zinc/53/88/09/776538809.db2.gz AQUJDPGMVCQIEF-UHFFFAOYSA-N 1 0 286.278 2.736 20 5 CFBDRO Cc1nc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001228706749 776579383 /nfs/dbraw/zinc/57/93/83/776579383.db2.gz KFZCYHJGBOJGEV-SECBINFHSA-N 1 0 288.209 2.626 20 5 CFBDRO Cc1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228739973 776589736 /nfs/dbraw/zinc/58/97/36/776589736.db2.gz MEYONNCCGGIJSE-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228736379 776590518 /nfs/dbraw/zinc/59/05/18/776590518.db2.gz FTXDHGAUMAJVHP-CYBMUJFWSA-N 1 0 279.343 2.866 20 5 CFBDRO CC[NH+]1CCC(Oc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001228834074 776625573 /nfs/dbraw/zinc/62/55/73/776625573.db2.gz ZYZLRMKKNBQVSN-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC001228833419 776625635 /nfs/dbraw/zinc/62/56/35/776625635.db2.gz KVEZAKNOOFRFEM-JYAVWHMHSA-N 1 0 276.336 2.907 20 5 CFBDRO COC(=O)c1sc(C)c(C)c1O[C@H](C)C[N+](C)(C)C ZINC001228877986 776643860 /nfs/dbraw/zinc/64/38/60/776643860.db2.gz KSJFNUGMRGLDOT-SECBINFHSA-N 1 0 286.417 2.625 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nsc2cc(F)ccc21 ZINC001229046639 776700232 /nfs/dbraw/zinc/70/02/32/776700232.db2.gz ZACFSDFOAYILLB-SECBINFHSA-N 1 0 269.365 2.909 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115764 776724599 /nfs/dbraw/zinc/72/45/99/776724599.db2.gz RNMMMFXUSJLWRW-JOZWUWCOSA-N 1 0 276.336 2.796 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000402051682 776784530 /nfs/dbraw/zinc/78/45/30/776784530.db2.gz PRIUDSGPBAJDQO-GZMMTYOYSA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)cc(C)c1[N+](=O)[O-] ZINC001229470354 776820992 /nfs/dbraw/zinc/82/09/92/776820992.db2.gz PFIAUYJUHSUXDB-AWEZNQCLSA-N 1 0 276.336 2.685 20 5 CFBDRO CC(C)c1cccc(O)c1O[C@H](C)C[N+](C)(C)C ZINC001229711910 776877606 /nfs/dbraw/zinc/87/76/06/776877606.db2.gz YDYXOBCUWJJXJV-GFCCVEGCSA-O 1 0 252.378 2.989 20 5 CFBDRO Cc1cc(O)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001229749693 776885901 /nfs/dbraw/zinc/88/59/01/776885901.db2.gz GWXWGZWVUBMVKF-GDNZZTSVSA-N 1 0 292.335 2.613 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)OC(C)(C)C)cn1 ZINC001229888757 776912147 /nfs/dbraw/zinc/91/21/47/776912147.db2.gz VZEJGTSZNXVIGT-GFCCVEGCSA-N 1 0 295.403 2.510 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229965154 776926288 /nfs/dbraw/zinc/92/62/88/776926288.db2.gz YZDSQNISNDCZDY-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO Cc1cc(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1Cl ZINC001229979287 776931699 /nfs/dbraw/zinc/93/16/99/776931699.db2.gz RKVURNVYIKHZHY-VIFPVBQESA-N 1 0 270.716 2.640 20 5 CFBDRO CC(=O)c1cccc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001230317731 776976265 /nfs/dbraw/zinc/97/62/65/776976265.db2.gz SPAFIQQAAVEQNP-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncccc2c1F ZINC001230668129 777038711 /nfs/dbraw/zinc/03/87/11/777038711.db2.gz AIOXZYXCPDNUFN-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230872031 777078661 /nfs/dbraw/zinc/07/86/61/777078661.db2.gz IXNKDNGAHHWSRH-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO CCc1cccc(C(=O)OC)c1O[C@H](C)C[N+](C)(C)C ZINC001230963106 777103308 /nfs/dbraw/zinc/10/33/08/777103308.db2.gz BUFWIBPHDZYVCQ-GFCCVEGCSA-N 1 0 280.388 2.509 20 5 CFBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)c(C)cc1C(C)=O ZINC001231131394 777150841 /nfs/dbraw/zinc/15/08/41/777150841.db2.gz ZNXYWQWHTDTHBL-GFCCVEGCSA-N 1 0 280.388 2.680 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231159049 777160492 /nfs/dbraw/zinc/16/04/92/777160492.db2.gz SMLVGKLXSLYLEW-GFCCVEGCSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(N(C)C)ccc1N=O ZINC001231287419 777184675 /nfs/dbraw/zinc/18/46/75/777184675.db2.gz RJXBJXHPNKZSAD-NSHDSACASA-N 1 0 266.365 2.624 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225793996 777280944 /nfs/dbraw/zinc/28/09/44/777280944.db2.gz GLJKMSPXQUEUOU-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)CC1COC1 ZINC001232222922 777480495 /nfs/dbraw/zinc/48/04/95/777480495.db2.gz JADOGEJSTMLJQD-UHFFFAOYSA-N 1 0 293.370 2.861 20 5 CFBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC001226840431 777669140 /nfs/dbraw/zinc/66/91/40/777669140.db2.gz FBQSBNJNYJPAER-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC001233495969 777969094 /nfs/dbraw/zinc/96/90/94/777969094.db2.gz OGUCLGKNIMGVBN-NSHDSACASA-N 1 0 294.351 2.907 20 5 CFBDRO CC(=O)c1cc(O[C@H]2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC001233495613 777969229 /nfs/dbraw/zinc/96/92/29/777969229.db2.gz ILCFYRDMSQSURQ-LBPRGKRZSA-N 1 0 292.335 2.661 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233696810 778044233 /nfs/dbraw/zinc/04/42/33/778044233.db2.gz UKBQWEHXVMTHEG-SNVBAGLBSA-N 1 0 286.278 2.736 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093212786 778090486 /nfs/dbraw/zinc/09/04/86/778090486.db2.gz LNSCUYKJOIVDJA-DTWKUNHWSA-N 1 0 269.732 2.930 20 5 CFBDRO COc1cc(F)c(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001234320572 778207869 /nfs/dbraw/zinc/20/78/69/778207869.db2.gz BEFJJOAEWOKWSU-VIFPVBQESA-N 1 0 276.759 2.961 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001228915294 778208016 /nfs/dbraw/zinc/20/80/16/778208016.db2.gz BSLAOIJIIWBKCW-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C)C1 ZINC001228922444 778208624 /nfs/dbraw/zinc/20/86/24/778208624.db2.gz ZXMNYIAGZXOGAB-ZDUSSCGKSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(NC2(C)CC[NH2+]CC2)c1F ZINC001168187801 778231418 /nfs/dbraw/zinc/23/14/18/778231418.db2.gz HVVIATBPIAKTRP-UHFFFAOYSA-N 1 0 267.304 2.596 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC001234851415 778310258 /nfs/dbraw/zinc/31/02/58/778310258.db2.gz JJPUPYVSANTUMR-QWHCGFSZSA-N 1 0 291.415 2.630 20 5 CFBDRO COc1c(Cl)ccc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234961186 778341402 /nfs/dbraw/zinc/34/14/02/778341402.db2.gz CEFPWUGMQYPFBV-SECBINFHSA-N 1 0 276.759 2.961 20 5 CFBDRO C[C@H](OCCC[N+](C)(C)C)c1cccnc1Cl ZINC001224619097 778601910 /nfs/dbraw/zinc/60/19/10/778601910.db2.gz KQZKGVYGKWRIOY-NSHDSACASA-N 1 0 257.785 2.909 20 5 CFBDRO CCCCOC[C@@H](C)OC[C@@H](C)OCCC[N+](C)(C)C ZINC001224621045 778603291 /nfs/dbraw/zinc/60/32/91/778603291.db2.gz JIAMVXSCDOEDJD-HZPDHXFCSA-N 1 0 290.468 2.710 20 5 CFBDRO CC[C@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699539443 779291622 /nfs/dbraw/zinc/29/16/22/779291622.db2.gz VPGSRKYCAUOMNK-TVQRCGJNSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000699549903 779295311 /nfs/dbraw/zinc/29/53/11/779295311.db2.gz XRPWNZMTOPWIJX-MISXGVKJSA-N 1 0 264.325 2.670 20 5 CFBDRO C[C@@H](O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000692132744 779812951 /nfs/dbraw/zinc/81/29/51/779812951.db2.gz CXWWXWFXNKDEPF-SECBINFHSA-N 1 0 284.743 2.593 20 5 CFBDRO CCC1(Nc2ncnc3cc4ccccc4cc32)C[NH2+]C1 ZINC001168583506 780004729 /nfs/dbraw/zinc/00/47/29/780004729.db2.gz MGSLKUGIDPRMAO-UHFFFAOYSA-N 1 0 278.359 2.947 20 5 CFBDRO CCC1(Nc2cc(OC(C)C)c([N+](=O)[O-])cc2C)C[NH2+]C1 ZINC001168586397 780009004 /nfs/dbraw/zinc/00/90/04/780009004.db2.gz INKQESWAKAPJPX-UHFFFAOYSA-N 1 0 293.367 2.854 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000453164492 780421642 /nfs/dbraw/zinc/42/16/42/780421642.db2.gz ALGRPYJSOMPUCW-HUUCEWRRSA-N 1 0 290.363 2.685 20 5 CFBDRO C[NH+](C)CCCCNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001161731164 780491334 /nfs/dbraw/zinc/49/13/34/780491334.db2.gz SHZLGVGEZOKZQK-UHFFFAOYSA-N 1 0 276.340 2.830 20 5 CFBDRO CC1([NH3+])CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000704550428 781104181 /nfs/dbraw/zinc/10/41/81/781104181.db2.gz HIIKSNDNKMGWEG-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO CC[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000710985825 781351721 /nfs/dbraw/zinc/35/17/21/781351721.db2.gz AZJNOOLSQAHSSW-NQBHXWOUSA-N 1 0 264.325 2.670 20 5 CFBDRO [NH3+]C1(CNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC001163320859 781424710 /nfs/dbraw/zinc/42/47/10/781424710.db2.gz FTAKEYZHQNZPLL-UHFFFAOYSA-N 1 0 291.138 2.590 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000711463181 781441214 /nfs/dbraw/zinc/44/12/14/781441214.db2.gz MUQSKANBTFCGNC-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO COc1ccc(C[NH2+]CCC(C)(C)OC)cc1[N+](=O)[O-] ZINC000711888760 781485806 /nfs/dbraw/zinc/48/58/06/781485806.db2.gz SYBWLOIQYVLGCP-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1(CO)CCC1 ZINC000594507451 349433733 /nfs/dbraw/zinc/43/37/33/349433733.db2.gz NNOVEOWEDAUYAW-CQSZACIVSA-N 1 0 290.363 2.724 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000594595443 349455148 /nfs/dbraw/zinc/45/51/48/349455148.db2.gz YLIIGRCZBKRCQF-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594597067 349456232 /nfs/dbraw/zinc/45/62/32/349456232.db2.gz CESJRXTZWVYGDW-OLZOCXBDSA-N 1 0 290.367 2.727 20 5 CFBDRO CC[C@H](C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594718175 349480282 /nfs/dbraw/zinc/48/02/82/349480282.db2.gz KMJSHMVMYPLNSN-LBPRGKRZSA-N 1 0 293.367 2.949 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594956301 349527928 /nfs/dbraw/zinc/52/79/28/349527928.db2.gz JCXJKLFYSBCSSS-ZDUSSCGKSA-N 1 0 277.368 2.557 20 5 CFBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)c1cscn1 ZINC000594965374 349532971 /nfs/dbraw/zinc/53/29/71/349532971.db2.gz FZYAXTWITIKZPU-SSDOTTSWSA-N 1 0 269.351 2.964 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000594963994 349532550 /nfs/dbraw/zinc/53/25/50/349532550.db2.gz NKGURLQNJRIGGN-SCXUMTSISA-N 1 0 276.336 2.765 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000125084243 187168716 /nfs/dbraw/zinc/16/87/16/187168716.db2.gz YOOSPRVVWGSSRW-NSHDSACASA-N 1 0 292.335 2.693 20 5 CFBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000594984556 349539162 /nfs/dbraw/zinc/53/91/62/349539162.db2.gz JELVYZFPZITFIP-FZMZJTMJSA-N 1 0 264.325 2.642 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCOCC1 ZINC000595035448 349558435 /nfs/dbraw/zinc/55/84/35/349558435.db2.gz JAWMWVBBTNDTEL-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000595020049 349552226 /nfs/dbraw/zinc/55/22/26/349552226.db2.gz SJHRDRWQUSPCHM-NHYWBVRUSA-N 1 0 296.367 2.661 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595023589 349554161 /nfs/dbraw/zinc/55/41/61/349554161.db2.gz WPUUALTYNJUUIY-YGRLFVJLSA-N 1 0 294.351 2.679 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000594995147 349542367 /nfs/dbraw/zinc/54/23/67/349542367.db2.gz OWVYKNXEOYCWLD-OAHLLOKOSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595005939 349545405 /nfs/dbraw/zinc/54/54/05/349545405.db2.gz GLYVCFLKKRRBGM-BLLLJJGKSA-N 1 0 286.331 2.807 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000595037502 349559146 /nfs/dbraw/zinc/55/91/46/349559146.db2.gz GQRYVTPGHPKBQY-MXWKQRLJSA-N 1 0 282.340 2.677 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)(C)O ZINC000595038428 349560196 /nfs/dbraw/zinc/56/01/96/349560196.db2.gz NUFGPXGESPHYCE-QMTHXVAHSA-N 1 0 296.367 2.804 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000595039769 349560281 /nfs/dbraw/zinc/56/02/81/349560281.db2.gz CHUVDOFZCVQSPN-YGRLFVJLSA-N 1 0 294.351 2.822 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595076288 349575249 /nfs/dbraw/zinc/57/52/49/349575249.db2.gz HIYMEYVYQQEXEJ-YUELXQCFSA-N 1 0 292.379 2.667 20 5 CFBDRO CCCN1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097151 349581439 /nfs/dbraw/zinc/58/14/39/349581439.db2.gz QIIDCTOWZIROGA-WFASDCNBSA-N 1 0 289.379 2.656 20 5 CFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000595309795 349598752 /nfs/dbraw/zinc/59/87/52/349598752.db2.gz AJDGNQQCBVLINJ-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO Cc1noc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595323908 349602353 /nfs/dbraw/zinc/60/23/53/349602353.db2.gz CCMZPSZXWBYZFL-UWVGGRQHSA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595324436 349602441 /nfs/dbraw/zinc/60/24/41/349602441.db2.gz FOKFOBXVKXQIRH-SCZZXKLOSA-N 1 0 253.302 2.512 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000595325412 349602611 /nfs/dbraw/zinc/60/26/11/349602611.db2.gz HUAJXNVPVVEVLL-GHMZBOCLSA-N 1 0 265.313 2.656 20 5 CFBDRO Cc1noc(C[N@H+](C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000595288477 349591020 /nfs/dbraw/zinc/59/10/20/349591020.db2.gz JQBQFDOEDJTATJ-UHFFFAOYSA-N 1 0 267.329 2.903 20 5 CFBDRO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC(C)C ZINC000595296843 349594472 /nfs/dbraw/zinc/59/44/72/349594472.db2.gz MHURGJKQAYFUHY-UHFFFAOYSA-N 1 0 255.318 2.759 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595297379 349594973 /nfs/dbraw/zinc/59/49/73/349594973.db2.gz DPBKOQPLGJXIAH-LLVKDONJSA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(C[NH+](CC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC000595370214 349611324 /nfs/dbraw/zinc/61/13/24/349611324.db2.gz DQRBMVMVDGPHOU-UHFFFAOYSA-N 1 0 265.313 2.513 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000595338156 349605023 /nfs/dbraw/zinc/60/50/23/349605023.db2.gz GENXUGZGYNVSIT-QWRGUYRKSA-N 1 0 264.300 2.966 20 5 CFBDRO C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595395217 349615952 /nfs/dbraw/zinc/61/59/52/349615952.db2.gz LFFJKOIYIIVXBB-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000174369697 529397769 /nfs/dbraw/zinc/39/77/69/529397769.db2.gz COOGHHIXDXAUAY-GFCCVEGCSA-N 1 0 266.366 2.922 20 5 CFBDRO CC(C)[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000595460323 349634015 /nfs/dbraw/zinc/63/40/15/349634015.db2.gz GMRVWZKRUIRRDF-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000595467973 349636047 /nfs/dbraw/zinc/63/60/47/349636047.db2.gz VUARKQZZPLCSLQ-SNVBAGLBSA-N 1 0 267.329 2.902 20 5 CFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595482960 349639230 /nfs/dbraw/zinc/63/92/30/349639230.db2.gz DHELQRAKLXLBJX-GXSJLCMTSA-N 1 0 285.369 2.655 20 5 CFBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595481736 349639456 /nfs/dbraw/zinc/63/94/56/349639456.db2.gz GAFGJIALMUCLAP-GZMMTYOYSA-N 1 0 270.329 2.575 20 5 CFBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000595488205 349640861 /nfs/dbraw/zinc/64/08/61/349640861.db2.gz FHVFMHUSLXTJCY-LLVKDONJSA-N 1 0 297.355 2.671 20 5 CFBDRO COCC(C)(C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595512359 349647567 /nfs/dbraw/zinc/64/75/67/349647567.db2.gz UCZGDGXFBBSKPI-UHFFFAOYSA-N 1 0 270.304 2.591 20 5 CFBDRO Cc1noc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513392 349648576 /nfs/dbraw/zinc/64/85/76/349648576.db2.gz UYNILSIHXVSEAR-VXGBXAGGSA-N 1 0 297.355 2.573 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000068996826 346879046 /nfs/dbraw/zinc/87/90/46/346879046.db2.gz KQZIXGXTPYYMGQ-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000595500442 349643682 /nfs/dbraw/zinc/64/36/82/349643682.db2.gz JLTUORDQUUGMAP-CQSZACIVSA-N 1 0 294.326 2.613 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000421370682 529430459 /nfs/dbraw/zinc/43/04/59/529430459.db2.gz CFDLQZPILGQXEF-DZGCQCFKSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000595529113 349651732 /nfs/dbraw/zinc/65/17/32/349651732.db2.gz HNHWGFWVBQKQQC-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000595544248 349655361 /nfs/dbraw/zinc/65/53/61/349655361.db2.gz NOALVKSEASXNMM-SNVBAGLBSA-N 1 0 282.315 2.781 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000069064047 346881745 /nfs/dbraw/zinc/88/17/45/346881745.db2.gz SGYCQPOUBYSEGV-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000125708680 187197326 /nfs/dbraw/zinc/19/73/26/187197326.db2.gz PEKAUNKIEWYRFU-RYUDHWBXSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@@]1(C2CC2)CN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595618399 349677995 /nfs/dbraw/zinc/67/79/95/349677995.db2.gz OYKYVSKCNSTLEW-HNNXBMFYSA-N 1 0 276.336 2.596 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595671860 349695607 /nfs/dbraw/zinc/69/56/07/349695607.db2.gz XAUIXNLWYGCFAW-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359535 346909621 /nfs/dbraw/zinc/90/96/21/346909621.db2.gz VWTKBCWHIQGQMI-HIFRSBDPSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595765113 349727064 /nfs/dbraw/zinc/72/70/64/349727064.db2.gz HEVPURGIMPGCMO-ZDUSSCGKSA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000595766506 349728476 /nfs/dbraw/zinc/72/84/76/349728476.db2.gz XBTDJBSHHHKRQZ-LBPRGKRZSA-N 1 0 291.351 2.620 20 5 CFBDRO CC[C@H](NC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423275655 529611224 /nfs/dbraw/zinc/61/12/24/529611224.db2.gz NHMBMWHNAIDZMX-KGLIPLIRSA-N 1 0 265.357 2.619 20 5 CFBDRO Cc1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000269958021 190575682 /nfs/dbraw/zinc/57/56/82/190575682.db2.gz UEUKFLDYFXWAMZ-AWEZNQCLSA-N 1 0 289.379 2.825 20 5 CFBDRO C[C@@H](CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596089925 349792113 /nfs/dbraw/zinc/79/21/13/349792113.db2.gz MJEYFKJLWYUZKP-QMMMGPOBSA-N 1 0 291.273 2.976 20 5 CFBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414529407 529636646 /nfs/dbraw/zinc/63/66/46/529636646.db2.gz PAQAWTJZZSKBEP-JQWIXIFHSA-N 1 0 272.370 2.541 20 5 CFBDRO CC[C@@H]([NH2+]CCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596095422 349793608 /nfs/dbraw/zinc/79/36/08/349793608.db2.gz QIHKCKOXBWPMPL-CYBMUJFWSA-N 1 0 270.304 2.622 20 5 CFBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072562330 346929595 /nfs/dbraw/zinc/92/95/95/346929595.db2.gz FJUWEWPLLFCDTJ-LBPRGKRZSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072697720 346936516 /nfs/dbraw/zinc/93/65/16/346936516.db2.gz AFWKYNZOQIKRMK-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(C)(C)C1 ZINC000072827423 346942924 /nfs/dbraw/zinc/94/29/24/346942924.db2.gz NJQPHCZWERSYST-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072870859 346944566 /nfs/dbraw/zinc/94/45/66/346944566.db2.gz NJDNVJGZNJZVJE-TUAOUCFPSA-N 1 0 291.351 2.510 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000133465282 136390508 /nfs/dbraw/zinc/39/05/08/136390508.db2.gz KRDBYMZLGAHVQL-KGLIPLIRSA-N 1 0 289.379 2.824 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072870864 346944862 /nfs/dbraw/zinc/94/48/62/346944862.db2.gz NJDNVJGZNJZVJE-UTUOFQBUSA-N 1 0 291.351 2.510 20 5 CFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000072873797 346945691 /nfs/dbraw/zinc/94/56/91/346945691.db2.gz XDDLOZUKCUZFBZ-TXEJJXNPSA-N 1 0 291.351 2.511 20 5 CFBDRO CS[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295019736 199302789 /nfs/dbraw/zinc/30/27/89/199302789.db2.gz KMGHJLMZJLXSAP-GFCCVEGCSA-N 1 0 252.339 2.532 20 5 CFBDRO Cc1cc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000596224897 349833348 /nfs/dbraw/zinc/83/33/48/349833348.db2.gz JZNJUXRXPGIMSW-UHFFFAOYSA-N 1 0 283.397 2.887 20 5 CFBDRO Cc1cc(N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])s1 ZINC000596237673 349836700 /nfs/dbraw/zinc/83/67/00/349836700.db2.gz FOIRSIFWNWUOSO-UHFFFAOYSA-N 1 0 295.408 2.887 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000596309280 349858832 /nfs/dbraw/zinc/85/88/32/349858832.db2.gz XMCYOFKPZOTIEM-GFCCVEGCSA-N 1 0 292.383 2.891 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596337667 349868938 /nfs/dbraw/zinc/86/89/38/349868938.db2.gz ZQWIVHWSHFKAAJ-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074287322 347007080 /nfs/dbraw/zinc/00/70/80/347007080.db2.gz JBLWRKVIUALYIY-LSDHHAIUSA-N 1 0 278.352 2.720 20 5 CFBDRO COCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000127147216 187285495 /nfs/dbraw/zinc/28/54/95/187285495.db2.gz AXCVCFMURBUOSF-UHFFFAOYSA-N 1 0 290.319 2.933 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1cccnc1[N+](=O)[O-] ZINC000596488584 349917958 /nfs/dbraw/zinc/91/79/58/349917958.db2.gz RMLRDMGDTFQNNK-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000596488462 349918209 /nfs/dbraw/zinc/91/82/09/349918209.db2.gz PQRZGXORMSXXOW-NSHDSACASA-N 1 0 296.346 2.661 20 5 CFBDRO CCC[N@@H+]1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000596518894 349928769 /nfs/dbraw/zinc/92/87/69/349928769.db2.gz YWZULSQBSLFSJO-ZDUSSCGKSA-N 1 0 291.351 2.694 20 5 CFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000046600261 346430033 /nfs/dbraw/zinc/43/00/33/346430033.db2.gz FIGIAMUFRRLCRI-UHFFFAOYSA-N 1 0 278.352 2.986 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000075721062 347094819 /nfs/dbraw/zinc/09/48/19/347094819.db2.gz DFLVJQBZYNYBQK-UHFFFAOYSA-N 1 0 288.351 2.943 20 5 CFBDRO CC[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000075677163 347092082 /nfs/dbraw/zinc/09/20/82/347092082.db2.gz XXMGFGIQBXPIPL-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO C[NH2+]C[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000596655099 349969405 /nfs/dbraw/zinc/96/94/05/349969405.db2.gz QVOBHRHXZFVQLI-IINYFYTJSA-N 1 0 277.368 2.515 20 5 CFBDRO C[C@H](NCC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596648129 349967807 /nfs/dbraw/zinc/96/78/07/349967807.db2.gz JNXXPHXYCICQDD-NSHDSACASA-N 1 0 263.341 2.517 20 5 CFBDRO CC[C@H](C)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000054470517 346569768 /nfs/dbraw/zinc/56/97/68/346569768.db2.gz BMZDPNLJUKMPGE-NSHDSACASA-N 1 0 252.314 2.609 20 5 CFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196062 346604122 /nfs/dbraw/zinc/60/41/22/346604122.db2.gz OUUYQXWKIKPTQJ-NEPJUHHUSA-N 1 0 293.367 2.550 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000060375309 346664250 /nfs/dbraw/zinc/66/42/50/346664250.db2.gz VIEVOENMZLEZGD-CQSZACIVSA-N 1 0 292.383 2.912 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000063863573 346712749 /nfs/dbraw/zinc/71/27/49/346712749.db2.gz WWBFDVGZOFFKCJ-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000064009733 346714313 /nfs/dbraw/zinc/71/43/13/346714313.db2.gz XLXLGTYOLFUHIL-UHFFFAOYSA-N 1 0 297.424 2.963 20 5 CFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000061189235 346676349 /nfs/dbraw/zinc/67/63/49/346676349.db2.gz HCLIBOTUIHHBDL-UHFFFAOYSA-N 1 0 296.367 2.578 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000066405699 346759062 /nfs/dbraw/zinc/75/90/62/346759062.db2.gz GIONOPWWYDWBLQ-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000075891047 347105418 /nfs/dbraw/zinc/10/54/18/347105418.db2.gz QZZOYSVZPJXABE-QWRGUYRKSA-N 1 0 266.366 2.921 20 5 CFBDRO CCO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076400040 347136990 /nfs/dbraw/zinc/13/69/90/347136990.db2.gz ITTGFXFDIXOFBK-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO CCO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076407115 347138245 /nfs/dbraw/zinc/13/82/45/347138245.db2.gz DXNUEEZOLXFUND-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000078455064 347253925 /nfs/dbraw/zinc/25/39/25/347253925.db2.gz NTYXHCQWPYBCNF-ZDUSSCGKSA-N 1 0 292.383 2.609 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078563121 347261460 /nfs/dbraw/zinc/26/14/60/347261460.db2.gz VGIPOAQSWYWISK-LBPRGKRZSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000078559617 347261928 /nfs/dbraw/zinc/26/19/28/347261928.db2.gz OCRGXGPPDDQQGD-CYBMUJFWSA-N 1 0 277.368 2.763 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000078563286 347261935 /nfs/dbraw/zinc/26/19/35/347261935.db2.gz OKZCASUWTLLRFM-NSHDSACASA-N 1 0 283.397 2.824 20 5 CFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000090909829 347562016 /nfs/dbraw/zinc/56/20/16/347562016.db2.gz GGEZBRNYXZNENU-GFCCVEGCSA-N 1 0 278.352 2.542 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000091457567 347587700 /nfs/dbraw/zinc/58/77/00/347587700.db2.gz YPZJIBYQJJNMLC-LBPRGKRZSA-N 1 0 293.367 2.747 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](CCO)C1 ZINC000093105946 347661479 /nfs/dbraw/zinc/66/14/79/347661479.db2.gz MNEDTTITFIWKQS-BTKRWWFXSA-N 1 0 290.363 2.702 20 5 CFBDRO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000093143667 347662772 /nfs/dbraw/zinc/66/27/72/347662772.db2.gz HKBWEBZKQYDBGH-STMXVASLSA-N 1 0 278.352 2.699 20 5 CFBDRO C[C@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000122603022 347816152 /nfs/dbraw/zinc/81/61/52/347816152.db2.gz SRPXISZKRDQJFQ-WDEREUQCSA-N 1 0 298.770 2.841 20 5 CFBDRO CC[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122815930 347817107 /nfs/dbraw/zinc/81/71/07/347817107.db2.gz YMLFGDUWMAFTGB-GWCFXTLKSA-N 1 0 297.786 2.807 20 5 CFBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000131908027 347881553 /nfs/dbraw/zinc/88/15/53/347881553.db2.gz OMVLSLQFJYHPDN-MWLCHTKSSA-N 1 0 283.759 2.560 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000135181124 347905139 /nfs/dbraw/zinc/90/51/39/347905139.db2.gz IVLCAHYCRCKQHM-VXGBXAGGSA-N 1 0 264.325 2.752 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152987461 347971307 /nfs/dbraw/zinc/97/13/07/347971307.db2.gz FOKPACLBCYLGCW-TZMCWYRMSA-N 1 0 280.368 2.931 20 5 CFBDRO CN(C)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000160916487 348022185 /nfs/dbraw/zinc/02/21/85/348022185.db2.gz RFNOJHHOGCGWFC-UHFFFAOYSA-N 1 0 291.395 2.601 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000165260720 348039278 /nfs/dbraw/zinc/03/92/78/348039278.db2.gz DZRNQXOLNJPDHE-GLQYFDAESA-N 1 0 278.352 2.857 20 5 CFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000128724881 187386810 /nfs/dbraw/zinc/38/68/10/187386810.db2.gz HOKZHQIXOFNVGJ-UHFFFAOYSA-N 1 0 295.314 2.547 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000222610030 348173383 /nfs/dbraw/zinc/17/33/83/348173383.db2.gz NTKRCACYHRTBAO-PSOPSSQASA-N 1 0 276.336 2.813 20 5 CFBDRO CCC[C@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227447626 348186778 /nfs/dbraw/zinc/18/67/78/348186778.db2.gz ZSQCYGJFCHXEIC-CQSZACIVSA-N 1 0 280.368 2.526 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000231883660 348208981 /nfs/dbraw/zinc/20/89/81/348208981.db2.gz GORWNTTWYFPJDV-BXKDBHETSA-N 1 0 266.366 2.887 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000231885593 348209461 /nfs/dbraw/zinc/20/94/61/348209461.db2.gz BLTUCAYJVJQHST-UONOGXRCSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000231884469 348209782 /nfs/dbraw/zinc/20/97/82/348209782.db2.gz ONLLPXMFKYTVBT-ZIAGYGMSSA-N 1 0 278.352 2.950 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000087028403 179381942 /nfs/dbraw/zinc/38/19/42/179381942.db2.gz JRUJVWFDEMJTCX-UHFFFAOYSA-N 1 0 286.759 2.889 20 5 CFBDRO CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251798631 348293692 /nfs/dbraw/zinc/29/36/92/348293692.db2.gz NYTGZHXDQPRIBR-LALPHHSUSA-N 1 0 277.368 2.715 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000300619749 348369467 /nfs/dbraw/zinc/36/94/67/348369467.db2.gz XKYVKYCJXRTXPF-GVXVVHGQSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c(Cl)c1 ZINC000293088668 348361772 /nfs/dbraw/zinc/36/17/72/348361772.db2.gz KDUICKLEJHEPKE-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC(F)(F)C2)cs1 ZINC000310365061 348409570 /nfs/dbraw/zinc/40/95/70/348409570.db2.gz VSKJLGBTLGXDOD-MRVPVSSYSA-N 1 0 262.281 2.934 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000311450292 348412770 /nfs/dbraw/zinc/41/27/70/348412770.db2.gz SBJXKVOTMRNDGV-SNVBAGLBSA-N 1 0 269.320 2.875 20 5 CFBDRO C[NH+]1CCC(CCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000312245491 348417019 /nfs/dbraw/zinc/41/70/19/348417019.db2.gz LHHFNXITRMTXRN-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312650510 348420169 /nfs/dbraw/zinc/42/01/69/348420169.db2.gz FKLWDMVIUWPGQX-PHIMTYICSA-N 1 0 295.770 2.684 20 5 CFBDRO CC[C@@](C)(C[NH2+]CCc1ccccc1[N+](=O)[O-])OC ZINC000323083606 348438140 /nfs/dbraw/zinc/43/81/40/348438140.db2.gz ZGSFFKSKRZRZRK-AWEZNQCLSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000273397781 192138721 /nfs/dbraw/zinc/13/87/21/192138721.db2.gz LHNQIMFRUPMKES-DGCLKSJQSA-N 1 0 264.325 2.560 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000587630611 348762408 /nfs/dbraw/zinc/76/24/08/348762408.db2.gz RWASZLLVXMYTKN-NSHDSACASA-N 1 0 281.331 2.701 20 5 CFBDRO CO[C@H](C)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000589189361 348817792 /nfs/dbraw/zinc/81/77/92/348817792.db2.gz SWECOVGWZQCQQQ-LLBKUYECSA-N 1 0 278.352 2.965 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206571 348819869 /nfs/dbraw/zinc/81/98/69/348819869.db2.gz ZNNAXABEMLFJJJ-IAQYHMDHSA-N 1 0 295.358 2.506 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000589501679 348836443 /nfs/dbraw/zinc/83/64/43/348836443.db2.gz AWKFDORQDZXAHN-MNOVXSKESA-N 1 0 292.335 2.612 20 5 CFBDRO CCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000589494991 348836495 /nfs/dbraw/zinc/83/64/95/348836495.db2.gz KIEKTDZGHOYNEI-UHFFFAOYSA-N 1 0 292.335 2.756 20 5 CFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589606228 348841730 /nfs/dbraw/zinc/84/17/30/348841730.db2.gz WGLLSVZVOKVLBD-SECBINFHSA-N 1 0 257.359 2.797 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000589686897 348850536 /nfs/dbraw/zinc/85/05/36/348850536.db2.gz YGZHBRMDCGOPCU-LBPRGKRZSA-N 1 0 293.342 2.939 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(C2CC2)C1 ZINC000589736871 348854734 /nfs/dbraw/zinc/85/47/34/348854734.db2.gz UNHOLCVHMCBPEN-HWKANZROSA-N 1 0 258.321 2.950 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000590725985 348938055 /nfs/dbraw/zinc/93/80/55/348938055.db2.gz CQEPFDMDFQZVLB-JTQLQIEISA-N 1 0 269.370 2.577 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000591442906 349022762 /nfs/dbraw/zinc/02/27/62/349022762.db2.gz MIYDCUIYHBVEDB-CQSZACIVSA-N 1 0 289.379 2.729 20 5 CFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCSC ZINC000592204813 349100613 /nfs/dbraw/zinc/10/06/13/349100613.db2.gz SWBAEPDPMSMYCQ-UHFFFAOYSA-N 1 0 284.381 2.659 20 5 CFBDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000592363296 349109595 /nfs/dbraw/zinc/10/95/95/349109595.db2.gz VXPKWHXZEGEMJX-UHFFFAOYSA-N 1 0 288.351 2.737 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489162 349128357 /nfs/dbraw/zinc/12/83/57/349128357.db2.gz ISFCZMXBOWDXFS-XJKSGUPXSA-N 1 0 289.379 2.731 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCN(C)C1 ZINC000592520710 349131756 /nfs/dbraw/zinc/13/17/56/349131756.db2.gz PBHRLDZZJBYYSI-INIZCTEOSA-N 1 0 291.395 2.819 20 5 CFBDRO CCCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592520739 349131881 /nfs/dbraw/zinc/13/18/81/349131881.db2.gz QFNBGQUYIIMTOU-LBPRGKRZSA-N 1 0 283.397 2.572 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000592995937 349182803 /nfs/dbraw/zinc/18/28/03/349182803.db2.gz JKWIIFSPXXFCEP-NSHDSACASA-N 1 0 292.335 2.756 20 5 CFBDRO Cc1c(CN(C)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000593112605 349210971 /nfs/dbraw/zinc/21/09/71/349210971.db2.gz QSBKUBNDFUBXTD-UHFFFAOYSA-N 1 0 291.395 2.821 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593114563 349212049 /nfs/dbraw/zinc/21/20/49/349212049.db2.gz CYQUNPINAFFBMN-CYBMUJFWSA-N 1 0 282.290 2.868 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000593116754 349213125 /nfs/dbraw/zinc/21/31/25/349213125.db2.gz HSQSPUXEKLRMIG-ZDUSSCGKSA-N 1 0 298.289 2.835 20 5 CFBDRO CC(C)O[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000593052549 349195148 /nfs/dbraw/zinc/19/51/48/349195148.db2.gz IZMXXJQHXKHCTR-CQSZACIVSA-N 1 0 278.352 2.984 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC000593071309 349201144 /nfs/dbraw/zinc/20/11/44/349201144.db2.gz SFQKSZAOGDICPU-AWEZNQCLSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCCOC1 ZINC000593071925 349202098 /nfs/dbraw/zinc/20/20/98/349202098.db2.gz WRYBHEIMFUUTKN-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](C)CO)CC1 ZINC000593082145 349204203 /nfs/dbraw/zinc/20/42/03/349204203.db2.gz GNARWPPOWJAZFP-CHWSQXEVSA-N 1 0 292.379 2.996 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)cc1 ZINC000593317789 349246585 /nfs/dbraw/zinc/24/65/85/349246585.db2.gz YCNPPOQBZLYTBQ-AWEZNQCLSA-N 1 0 283.331 2.721 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000593317684 349246922 /nfs/dbraw/zinc/24/69/22/349246922.db2.gz UXKBPRSBSLHSPO-AWEZNQCLSA-N 1 0 283.331 2.721 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[N@H+]1CC=CCC1 ZINC000593469485 349277219 /nfs/dbraw/zinc/27/72/19/349277219.db2.gz OCQXVDNNOLAPBQ-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414331458 233227530 /nfs/dbraw/zinc/22/75/30/233227530.db2.gz FVOVLFUIEYPEAB-VNHYZAJKSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593682504 349309734 /nfs/dbraw/zinc/30/97/34/349309734.db2.gz QUVLDMRSCHUCGO-LBPRGKRZSA-N 1 0 278.352 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CCC2)c(Cl)c1 ZINC000593693289 349310208 /nfs/dbraw/zinc/31/02/08/349310208.db2.gz KQKZORXHEFXNHA-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593735026 349316454 /nfs/dbraw/zinc/31/64/54/349316454.db2.gz UUJSRELNPVMUJZ-RISCZKNCSA-N 1 0 295.358 2.683 20 5 CFBDRO CCOC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000594046678 349363465 /nfs/dbraw/zinc/36/34/65/349363465.db2.gz BZAWXEYKWVSIQL-UHFFFAOYSA-N 1 0 294.351 2.758 20 5 CFBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594496283 349430173 /nfs/dbraw/zinc/43/01/73/349430173.db2.gz YZVKJVHGMSCKDE-JQWIXIFHSA-N 1 0 266.366 2.969 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000597079382 350025557 /nfs/dbraw/zinc/02/55/57/350025557.db2.gz RZSQAWPIKPWDDI-NVBFEUDRSA-N 1 0 276.336 2.813 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000597255522 350073269 /nfs/dbraw/zinc/07/32/69/350073269.db2.gz OGRLJCPWCFPQTH-UHFFFAOYSA-N 1 0 278.352 2.675 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000271218921 191008859 /nfs/dbraw/zinc/00/88/59/191008859.db2.gz ZJKAKYGKQPCPAI-MRXNPFEDSA-N 1 0 292.379 2.764 20 5 CFBDRO C[C@]12COC[C@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597209848 350056944 /nfs/dbraw/zinc/05/69/44/350056944.db2.gz DLICWMRBCKYKKC-WQDDEOEWSA-N 1 0 288.347 2.576 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597231706 350065474 /nfs/dbraw/zinc/06/54/74/350065474.db2.gz PSAJTAOHMFFBJY-UJOCRUBTSA-N 1 0 288.347 2.576 20 5 CFBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000597234840 350066357 /nfs/dbraw/zinc/06/63/57/350066357.db2.gz BVTCFAXWPLZEJP-TZDXQJPWSA-N 1 0 290.363 2.558 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2cscn2)cc1[N+](=O)[O-] ZINC000104442420 186004388 /nfs/dbraw/zinc/00/43/88/186004388.db2.gz GEZNEBIUVNTEPI-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000105443338 186058200 /nfs/dbraw/zinc/05/82/00/186058200.db2.gz UPFSTOKFJVMPHD-LBPRGKRZSA-N 1 0 288.351 2.526 20 5 CFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCC1 ZINC000598634156 350298374 /nfs/dbraw/zinc/29/83/74/350298374.db2.gz REBRHVHJRHGHGS-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO Cc1c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000598647984 350301339 /nfs/dbraw/zinc/30/13/39/350301339.db2.gz NJQACWSPEVQVIZ-AWEZNQCLSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598650173 350303097 /nfs/dbraw/zinc/30/30/97/350303097.db2.gz MZQYRLRAFXZMCM-UPJWGTAASA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598650170 350303110 /nfs/dbraw/zinc/30/31/10/350303110.db2.gz MZQYRLRAFXZMCM-AGIUHOORSA-N 1 0 278.352 2.606 20 5 CFBDRO CC1(C)CC[C@H](CO)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598650053 350303265 /nfs/dbraw/zinc/30/32/65/350303265.db2.gz YCFYXEULOQLFMN-OAHLLOKOSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650172 350303370 /nfs/dbraw/zinc/30/33/70/350303370.db2.gz MZQYRLRAFXZMCM-JHJVBQTASA-N 1 0 278.352 2.606 20 5 CFBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598682828 350309797 /nfs/dbraw/zinc/30/97/97/350309797.db2.gz PFASIHYEONEHSP-SMDDNHRTSA-N 1 0 295.770 2.561 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCOC2)c(F)c1 ZINC000598985793 350354374 /nfs/dbraw/zinc/35/43/74/350354374.db2.gz YRQVSGWQNHAWFV-LLVKDONJSA-N 1 0 282.315 2.640 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000598988817 350354936 /nfs/dbraw/zinc/35/49/36/350354936.db2.gz BHUKYSNIUSGUNV-INIZCTEOSA-N 1 0 298.342 2.826 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000599000809 350357454 /nfs/dbraw/zinc/35/74/54/350357454.db2.gz WFFGIZRQPBXYAR-OXIQGZBJSA-N 1 0 278.352 2.805 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599000842 350357534 /nfs/dbraw/zinc/35/75/34/350357534.db2.gz XPWGPDWRAPTFHD-OXIQGZBJSA-N 1 0 278.352 2.805 20 5 CFBDRO CC[C@@](C)(O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599037643 350362820 /nfs/dbraw/zinc/36/28/20/350362820.db2.gz JSOVQCCNRYOVTR-CQSZACIVSA-N 1 0 275.308 2.716 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CC2COC2)c2cc([N+](=O)[O-])ccc21 ZINC000599079937 350371549 /nfs/dbraw/zinc/37/15/49/350371549.db2.gz GWDNHAOMGWRLRJ-AWEZNQCLSA-N 1 0 276.336 2.553 20 5 CFBDRO CCC1(CNc2ccc3cnccc3c2[N+](=O)[O-])COC1 ZINC000599089048 350373979 /nfs/dbraw/zinc/37/39/79/350373979.db2.gz WRJXDGWTCYXLSV-UHFFFAOYSA-N 1 0 287.319 2.982 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000599091914 350374134 /nfs/dbraw/zinc/37/41/34/350374134.db2.gz IKPQLDSBVMFBGF-IJLUTSLNSA-N 1 0 264.325 2.731 20 5 CFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])[C@@H]1C ZINC000599087096 350374186 /nfs/dbraw/zinc/37/41/86/350374186.db2.gz TWFINIUWLZVJKB-NXEZZACHSA-N 1 0 257.293 2.988 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000599093671 350375129 /nfs/dbraw/zinc/37/51/29/350375129.db2.gz VERFDILKXXRVRS-RAIGVLPGSA-N 1 0 294.351 2.822 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000599098481 350376110 /nfs/dbraw/zinc/37/61/10/350376110.db2.gz VTHYUJIINLRGFA-UHFFFAOYSA-N 1 0 269.320 2.924 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000599141151 350383808 /nfs/dbraw/zinc/38/38/08/350383808.db2.gz ZTCJZGHLNVDOSN-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO COC(=O)CCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599354829 350421365 /nfs/dbraw/zinc/42/13/65/350421365.db2.gz ROEXWMQWRJXONR-LBPRGKRZSA-N 1 0 294.351 2.897 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626544 350467049 /nfs/dbraw/zinc/46/70/49/350467049.db2.gz RBQSSTBUFLBIAF-LMCGPQHNSA-N 1 0 294.351 2.505 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655150 350474168 /nfs/dbraw/zinc/47/41/68/350474168.db2.gz JDWTUYZNQJQPGD-BZPMIXESSA-N 1 0 278.352 2.667 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415510176 233494899 /nfs/dbraw/zinc/49/48/99/233494899.db2.gz YHZQQUPXWNDVEU-NSHDSACASA-N 1 0 294.355 2.542 20 5 CFBDRO Cc1ncc(CN(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000600110709 350511119 /nfs/dbraw/zinc/51/11/19/350511119.db2.gz DDWQDWLVJFPSRL-UHFFFAOYSA-N 1 0 261.281 2.523 20 5 CFBDRO Cc1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000600139564 350518504 /nfs/dbraw/zinc/51/85/04/350518504.db2.gz SFYQWGIHSUZUEX-UHFFFAOYSA-N 1 0 295.726 2.877 20 5 CFBDRO C[C@@]1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCCS1 ZINC000600162111 350524856 /nfs/dbraw/zinc/52/48/56/350524856.db2.gz SMVZWVNBPAWYDV-AWEZNQCLSA-N 1 0 295.408 2.646 20 5 CFBDRO C[N@@H+]1CC[C@@H](CSCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000600569259 350572898 /nfs/dbraw/zinc/57/28/98/350572898.db2.gz NJRWYNZFTRXOHV-GFCCVEGCSA-N 1 0 296.392 2.659 20 5 CFBDRO CC(C)c1ccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600679686 350596549 /nfs/dbraw/zinc/59/65/49/350596549.db2.gz NHBKVKNTASBSGK-TZMCWYRMSA-N 1 0 291.395 2.948 20 5 CFBDRO O=[N+]([O-])c1cccc(CNc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000600681602 350596557 /nfs/dbraw/zinc/59/65/57/350596557.db2.gz YWOUXOXVYNZJLH-UHFFFAOYSA-N 1 0 299.330 2.689 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746368 350605841 /nfs/dbraw/zinc/60/58/41/350605841.db2.gz JAXPZAWPIZCMNF-WQVCFCJDSA-N 1 0 289.379 2.587 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CCC(c2c[nH]cn2)CC1 ZINC000601126629 350675998 /nfs/dbraw/zinc/67/59/98/350675998.db2.gz WPJGNMSRJFNZRG-UHFFFAOYSA-N 1 0 278.337 2.763 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000601149480 350682204 /nfs/dbraw/zinc/68/22/04/350682204.db2.gz MKLGOYLRXVXTKD-UHIISALHSA-N 1 0 294.351 2.649 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000601289824 350718557 /nfs/dbraw/zinc/71/85/57/350718557.db2.gz UGHZLCWSNUOZME-NEPJUHHUSA-N 1 0 296.367 2.805 20 5 CFBDRO [NH3+][C@@H]1CCCCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000601324505 350723663 /nfs/dbraw/zinc/72/36/63/350723663.db2.gz PDLXHGSBBRRHHX-CYBMUJFWSA-N 1 0 297.786 2.952 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000601320389 350723820 /nfs/dbraw/zinc/72/38/20/350723820.db2.gz GKFREYOIINKKEN-HONMWMINSA-N 1 0 294.351 2.558 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCCC[C@@H]([NH3+])C1 ZINC000601324907 350724430 /nfs/dbraw/zinc/72/44/30/350724430.db2.gz PXSHPTDNAOAZLV-QWHCGFSZSA-N 1 0 277.368 2.859 20 5 CFBDRO [NH3+][C@@H]1CCCCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602020313 350834055 /nfs/dbraw/zinc/83/40/55/350834055.db2.gz JIWYMSFSWMKZFL-PMGBHYCQSA-N 1 0 289.379 2.811 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000602548871 350920834 /nfs/dbraw/zinc/92/08/34/350920834.db2.gz HLLTVYZOGVSVJK-ZSBIGDGJSA-N 1 0 276.336 2.739 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000602567750 350927902 /nfs/dbraw/zinc/92/79/02/350927902.db2.gz KWKUAHPUUFPAJR-ARFHVFGLSA-N 1 0 290.363 2.685 20 5 CFBDRO CC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602572726 350928968 /nfs/dbraw/zinc/92/89/68/350928968.db2.gz LMCMKSGGPUNCHR-UHFFFAOYSA-N 1 0 261.281 2.624 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000602579777 350932454 /nfs/dbraw/zinc/93/24/54/350932454.db2.gz GUFOVAUMCZGMAN-ZYHUDNBSSA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(F)F ZINC000602580573 350932733 /nfs/dbraw/zinc/93/27/33/350932733.db2.gz OIYPCLSZHISPNS-CABZTGNLSA-N 1 0 270.279 2.771 20 5 CFBDRO C[C@H]([NH2+]CCC[C@@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000602581551 350933456 /nfs/dbraw/zinc/93/34/56/350933456.db2.gz KFFDPMHIOSUNBE-NWDGAFQWSA-N 1 0 264.325 2.815 20 5 CFBDRO CO[C@](C)(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602650493 350960707 /nfs/dbraw/zinc/96/07/07/350960707.db2.gz MIASATURIIZAKO-MRXNPFEDSA-N 1 0 292.379 2.884 20 5 CFBDRO CCSCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602654641 350962644 /nfs/dbraw/zinc/96/26/44/350962644.db2.gz WITFNCVQMBOOEQ-UHFFFAOYSA-N 1 0 295.364 2.969 20 5 CFBDRO CC(C)([NH2+]CCC[C@@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000602674554 350973074 /nfs/dbraw/zinc/97/30/74/350973074.db2.gz VYEBVRDQRLGPBN-GFCCVEGCSA-N 1 0 278.352 2.989 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000602691855 350981588 /nfs/dbraw/zinc/98/15/88/350981588.db2.gz URUUVSXDYKCUOG-CABCVRRESA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602705164 350990087 /nfs/dbraw/zinc/99/00/87/350990087.db2.gz ZUOPFUVVJDHMFX-PSASIEDQSA-N 1 0 293.348 2.720 20 5 CFBDRO CC1CC(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602716640 350997195 /nfs/dbraw/zinc/99/71/95/350997195.db2.gz VDIKOYYZNMIBPO-UHFFFAOYSA-N 1 0 275.308 2.872 20 5 CFBDRO C[C@@H]1C[C@@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602606910 350942184 /nfs/dbraw/zinc/94/21/84/350942184.db2.gz HOZAYIQVODPRFU-HIFRSBDPSA-N 1 0 292.379 2.932 20 5 CFBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602740876 351010026 /nfs/dbraw/zinc/01/00/26/351010026.db2.gz QHBXDZVYNLVHJH-HNNXBMFYSA-N 1 0 278.352 2.640 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000602776999 351021000 /nfs/dbraw/zinc/02/10/00/351021000.db2.gz HSTCIGCBYXBXBI-AWEZNQCLSA-N 1 0 286.335 2.547 20 5 CFBDRO CCC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787824 351025730 /nfs/dbraw/zinc/02/57/30/351025730.db2.gz KIWUWZMQAKWRJH-ZDUSSCGKSA-N 1 0 280.372 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000602796715 351028122 /nfs/dbraw/zinc/02/81/22/351028122.db2.gz CLDICIWFXFQGCG-GHMZBOCLSA-N 1 0 280.372 2.514 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000602812632 351034722 /nfs/dbraw/zinc/03/47/22/351034722.db2.gz ASBIRGAPVBVJJE-WCQYABFASA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000602812633 351034744 /nfs/dbraw/zinc/03/47/44/351034744.db2.gz ASBIRGAPVBVJJE-YPMHNXCESA-N 1 0 280.372 2.610 20 5 CFBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602811188 351034889 /nfs/dbraw/zinc/03/48/89/351034889.db2.gz LEWIPFCNJFCDBB-QWHCGFSZSA-N 1 0 280.372 2.658 20 5 CFBDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602834790 351041188 /nfs/dbraw/zinc/04/11/88/351041188.db2.gz CUGNBELEYNWWQQ-AWEZNQCLSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@@H]([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185570 351115716 /nfs/dbraw/zinc/11/57/16/351115716.db2.gz JAAXXCCFMOIUII-ZWNOBZJWSA-N 1 0 289.339 2.596 20 5 CFBDRO CC(C)=CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962329 351073408 /nfs/dbraw/zinc/07/34/08/351073408.db2.gz JFSPNWMVWOUOAT-HNNXBMFYSA-N 1 0 278.352 2.748 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000603661558 351177475 /nfs/dbraw/zinc/17/74/75/351177475.db2.gz CWCJKHSYVFALKB-NSHDSACASA-N 1 0 264.325 2.704 20 5 CFBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000603854510 351186724 /nfs/dbraw/zinc/18/67/24/351186724.db2.gz LODXNOSBLAZQLR-CQSZACIVSA-N 1 0 292.383 2.912 20 5 CFBDRO O=[N+]([O-])c1sccc1NCCC[NH+]1CCCCC1 ZINC000604433357 351212315 /nfs/dbraw/zinc/21/23/15/351212315.db2.gz JQKXPOCNNZONHC-UHFFFAOYSA-N 1 0 269.370 2.944 20 5 CFBDRO C[N@H+](CCNc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000604459623 351213633 /nfs/dbraw/zinc/21/36/33/351213633.db2.gz SONNSGOJSBAWBS-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO COc1ccc(C[N@H+](C)CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000608833621 351479685 /nfs/dbraw/zinc/47/96/85/351479685.db2.gz YISPCSFVXMELHW-UHFFFAOYSA-N 1 0 296.367 2.850 20 5 CFBDRO Cc1c(Oc2cc(-n3ccnc3)ncn2)cccc1[N+](=O)[O-] ZINC000610129632 351534775 /nfs/dbraw/zinc/53/47/75/351534775.db2.gz VBYPDOPBFPQPDM-UHFFFAOYSA-N 1 0 297.274 2.671 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000610677294 351591381 /nfs/dbraw/zinc/59/13/81/351591381.db2.gz FSXWLDKTGDENJJ-CYBMUJFWSA-N 1 0 277.368 2.870 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1 ZINC000610804187 351610684 /nfs/dbraw/zinc/61/06/84/351610684.db2.gz MUOUTOJVUPLODX-HIFRSBDPSA-N 1 0 291.395 2.600 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@H]21 ZINC000610808060 351610864 /nfs/dbraw/zinc/61/08/64/351610864.db2.gz ZRIWBYQBINEWAN-GHMZBOCLSA-N 1 0 281.381 2.577 20 5 CFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000611116271 351642208 /nfs/dbraw/zinc/64/22/08/351642208.db2.gz QPZJJQQODKRXLD-GFCCVEGCSA-N 1 0 295.408 2.824 20 5 CFBDRO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC1 ZINC000611272719 351661933 /nfs/dbraw/zinc/66/19/33/351661933.db2.gz VOOJMMJTIVOPAN-UHFFFAOYSA-N 1 0 292.335 2.740 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CC3)CC2)c1 ZINC000611177629 351647723 /nfs/dbraw/zinc/64/77/23/351647723.db2.gz PAEYIWACFVNFND-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000611179816 351648379 /nfs/dbraw/zinc/64/83/79/351648379.db2.gz KNTCLVZQFOVXDH-SNVBAGLBSA-N 1 0 286.278 2.561 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611180170 351648748 /nfs/dbraw/zinc/64/87/48/351648748.db2.gz SYGZSBYPGQSRSD-LLVKDONJSA-N 1 0 270.279 2.990 20 5 CFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000120604799 186912165 /nfs/dbraw/zinc/91/21/65/186912165.db2.gz XEIJBTDKCWDLGV-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249400 351656777 /nfs/dbraw/zinc/65/67/77/351656777.db2.gz UOOZUWSMXOALMO-NSHDSACASA-N 1 0 292.335 2.598 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264241 351660050 /nfs/dbraw/zinc/66/00/50/351660050.db2.gz CXAOEAXEXUDHCZ-LBPRGKRZSA-N 1 0 292.335 2.740 20 5 CFBDRO O=[N+]([O-])c1ccsc1NCCC[NH+]1CCCC1 ZINC000611411443 351685031 /nfs/dbraw/zinc/68/50/31/351685031.db2.gz YUHQZZPYRCWDDF-UHFFFAOYSA-N 1 0 255.343 2.554 20 5 CFBDRO CC(C)[NH2+]C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611412309 351686187 /nfs/dbraw/zinc/68/61/87/351686187.db2.gz OIWJXFGJIMSUAC-UHFFFAOYSA-N 1 0 269.370 2.623 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(CO)CCCCC1 ZINC000611462881 351693093 /nfs/dbraw/zinc/69/30/93/351693093.db2.gz HVERLAOTWDXKJE-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000611470233 351693722 /nfs/dbraw/zinc/69/37/22/351693722.db2.gz PJQBOHQNPXJYPA-WDEREUQCSA-N 1 0 266.341 2.713 20 5 CFBDRO CC[N@@H+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000611516710 351702436 /nfs/dbraw/zinc/70/24/36/351702436.db2.gz DENTZBZECLWCBZ-ZIAGYGMSSA-N 1 0 291.395 2.990 20 5 CFBDRO C[N@H+](CCC1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611287646 351664685 /nfs/dbraw/zinc/66/46/85/351664685.db2.gz ZGRHXMNOETVRPB-UHFFFAOYSA-N 1 0 292.335 2.598 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CC1 ZINC000611337431 351670125 /nfs/dbraw/zinc/67/01/25/351670125.db2.gz FCJQUSFMYGPAHS-DOMZBBRYSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000611585247 351712313 /nfs/dbraw/zinc/71/23/13/351712313.db2.gz GRUWXZCTIILCDS-GFCCVEGCSA-N 1 0 288.351 2.793 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000611616498 351714449 /nfs/dbraw/zinc/71/44/49/351714449.db2.gz UESVPLPGMVHWLH-LBPRGKRZSA-N 1 0 292.383 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000121995627 187009390 /nfs/dbraw/zinc/00/93/90/187009390.db2.gz GMXLUFPWXZPNNM-AAEUAGOBSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000612580749 351838521 /nfs/dbraw/zinc/83/85/21/351838521.db2.gz HQRAABMYKBZTAP-XBXGTLAGSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122264348 187023607 /nfs/dbraw/zinc/02/36/07/187023607.db2.gz IIVUNZMOFDFLRM-GXSJLCMTSA-N 1 0 279.315 2.771 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCOC1 ZINC000612577295 351837698 /nfs/dbraw/zinc/83/76/98/351837698.db2.gz NGEOMTVSRDULSB-CYBMUJFWSA-N 1 0 278.352 2.762 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)Cn1cccn1 ZINC000612607396 351843489 /nfs/dbraw/zinc/84/34/89/351843489.db2.gz ABTHQWVOYPBCEM-GFCCVEGCSA-N 1 0 288.351 2.526 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122941350 187060983 /nfs/dbraw/zinc/06/09/83/187060983.db2.gz UWERNRBLYBGJRJ-NWDGAFQWSA-N 1 0 275.352 2.940 20 5 CFBDRO CC[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291761184 198083616 /nfs/dbraw/zinc/08/36/16/198083616.db2.gz RJXNGRFXJPQWEF-ZDUSSCGKSA-N 1 0 290.319 2.715 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000123308727 187084357 /nfs/dbraw/zinc/08/43/57/187084357.db2.gz PTGTUQUOLINIHR-RYUDHWBXSA-N 1 0 264.325 2.846 20 5 CFBDRO C[C@@H]1C[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123736837 187106651 /nfs/dbraw/zinc/10/66/51/187106651.db2.gz DRXJWZCTNPVZAK-CZUORRHYSA-N 1 0 291.395 2.552 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCC2CCOCC2)cc1 ZINC000613617036 351988007 /nfs/dbraw/zinc/98/80/07/351988007.db2.gz HZMBWQWMMALFFV-UHFFFAOYSA-N 1 0 292.379 2.934 20 5 CFBDRO CSCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615720130 352235994 /nfs/dbraw/zinc/23/59/94/352235994.db2.gz UDZPFDCHJAUFFS-FLIBITNWSA-N 1 0 266.366 2.951 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCOC1 ZINC000292028430 198138745 /nfs/dbraw/zinc/13/87/45/198138745.db2.gz YVMIRAUIQNUWIJ-GFCCVEGCSA-N 1 0 282.315 2.733 20 5 CFBDRO CCOc1cc(C[N@H+](C)C2(COC)CC2)ccc1[N+](=O)[O-] ZINC000617216684 352518336 /nfs/dbraw/zinc/51/83/36/352518336.db2.gz LXSWMHVZLLJPRS-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000618197885 352736617 /nfs/dbraw/zinc/73/66/17/352736617.db2.gz RBWZSBSHZYXLGQ-HNNXBMFYSA-N 1 0 298.342 2.948 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3C3CC3)nc2c1 ZINC000618279277 352745877 /nfs/dbraw/zinc/74/58/77/352745877.db2.gz MBKZSAANWXMVRJ-AWEZNQCLSA-N 1 0 286.335 2.846 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136998303 187891830 /nfs/dbraw/zinc/89/18/30/187891830.db2.gz SPHAOAPNTDIFON-WDMOLILDSA-N 1 0 266.341 2.652 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000619158275 352968069 /nfs/dbraw/zinc/96/80/69/352968069.db2.gz LLJAFDNVWUUWKL-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO CC1(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619431259 353022464 /nfs/dbraw/zinc/02/24/64/353022464.db2.gz KBNZVYUKOAAYAK-UHFFFAOYSA-N 1 0 292.335 2.646 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1sccc1[N+](=O)[O-] ZINC000619588297 353037942 /nfs/dbraw/zinc/03/79/42/353037942.db2.gz FOOPLFUBLJYXEQ-UHFFFAOYSA-N 1 0 269.370 2.578 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1ccsc1[N+](=O)[O-] ZINC000619588294 353038161 /nfs/dbraw/zinc/03/81/61/353038161.db2.gz DCGUEYBBHBAJAB-UHFFFAOYSA-N 1 0 269.370 2.578 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292266912 198223778 /nfs/dbraw/zinc/22/37/78/198223778.db2.gz ZCULJLHDMGHFPQ-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOC)cc1[N+](=O)[O-] ZINC000152535166 188026992 /nfs/dbraw/zinc/02/69/92/188026992.db2.gz KAYAJJXYHBGEPW-LLVKDONJSA-N 1 0 282.340 2.681 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152809025 188045543 /nfs/dbraw/zinc/04/55/43/188045543.db2.gz XXSDKTMVUCKWMU-CYBMUJFWSA-N 1 0 279.384 2.896 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000153101740 188064787 /nfs/dbraw/zinc/06/47/87/188064787.db2.gz OTPWFBCTHVOKTI-NEPJUHHUSA-N 1 0 264.325 2.733 20 5 CFBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153754985 188101979 /nfs/dbraw/zinc/10/19/79/188101979.db2.gz JLBPRYNJKYUKBF-WCQYABFASA-N 1 0 296.367 2.805 20 5 CFBDRO CC[C@@H](CSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000158819468 188395872 /nfs/dbraw/zinc/39/58/72/188395872.db2.gz GEPVCXIJLJMTPT-NSHDSACASA-N 1 0 254.355 2.826 20 5 CFBDRO CCC[NH2+][C@@H](C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295315690 199455149 /nfs/dbraw/zinc/45/51/49/199455149.db2.gz YQIPKMZNHMBABH-FZMZJTMJSA-N 1 0 293.367 2.550 20 5 CFBDRO CCC(CC)[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230606390 540122146 /nfs/dbraw/zinc/12/21/46/540122146.db2.gz BGOILDTYHMUVLD-OAHLLOKOSA-N 1 0 280.368 2.524 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000269098381 283163184 /nfs/dbraw/zinc/16/31/84/283163184.db2.gz PXXXONTYMXEYDZ-YPMHNXCESA-N 1 0 293.342 2.654 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000353103589 283186747 /nfs/dbraw/zinc/18/67/47/283186747.db2.gz DRLUWGQROZWEIL-ZDUSSCGKSA-N 1 0 279.384 2.805 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1ncccc1[N+](=O)[O-] ZINC000162424513 283236811 /nfs/dbraw/zinc/23/68/11/283236811.db2.gz OYXFPJKSHPYMMY-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO CCCC[C@@H](COC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268908757 535358937 /nfs/dbraw/zinc/35/89/37/535358937.db2.gz FMSBCHRCHLPCOK-AWEZNQCLSA-N 1 0 280.368 2.932 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000294337990 199004039 /nfs/dbraw/zinc/00/40/39/199004039.db2.gz YFZBLLXOFHJJQJ-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000376243474 291127715 /nfs/dbraw/zinc/12/77/15/291127715.db2.gz PBYAZPSGARLPKX-RYUDHWBXSA-N 1 0 293.342 2.797 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294756182 199167569 /nfs/dbraw/zinc/16/75/69/199167569.db2.gz IQGRLYBAEROPGM-GFCCVEGCSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cc(C)n(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296846499 200014430 /nfs/dbraw/zinc/01/44/30/200014430.db2.gz XRIDBBNNDLFBLN-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296859646 200018144 /nfs/dbraw/zinc/01/81/44/200018144.db2.gz YURXYTXIIAETNW-RYUDHWBXSA-N 1 0 293.367 2.550 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297188384 200108563 /nfs/dbraw/zinc/10/85/63/200108563.db2.gz FFFXWKSVKVWZGL-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO CC(C)OC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176898382 189013866 /nfs/dbraw/zinc/01/38/66/189013866.db2.gz NOTYTPMYXMFEAA-NSHDSACASA-N 1 0 280.324 2.587 20 5 CFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000298580300 200476119 /nfs/dbraw/zinc/47/61/19/200476119.db2.gz XQPVFAHYVHFMKJ-YUTCNCBUSA-N 1 0 296.392 2.593 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCn1ccnc1 ZINC000178436718 189116613 /nfs/dbraw/zinc/11/66/13/189116613.db2.gz XUBZVDKZXFSZOI-CYBMUJFWSA-N 1 0 288.351 2.874 20 5 CFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063196247 296023738 /nfs/dbraw/zinc/02/37/38/296023738.db2.gz PCSSDANUBRBQNY-MFKMUULPSA-N 1 0 297.786 2.950 20 5 CFBDRO CCC[C@H]([NH2+]CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179565747 189202373 /nfs/dbraw/zinc/20/23/73/189202373.db2.gz YAPYPXDRRRMMPN-AWEZNQCLSA-N 1 0 294.351 2.789 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)C2CC2)n1 ZINC000179700725 189214910 /nfs/dbraw/zinc/21/49/10/189214910.db2.gz WMVDNBXSEZSVDV-HNNXBMFYSA-N 1 0 286.335 2.532 20 5 CFBDRO CCSCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454633 189256745 /nfs/dbraw/zinc/25/67/45/189256745.db2.gz IVSBOYVZKXCGDO-SNVBAGLBSA-N 1 0 254.355 2.999 20 5 CFBDRO C[C@H]1SCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000118415780 291260748 /nfs/dbraw/zinc/26/07/48/291260748.db2.gz AMDOJGITLYVHAJ-GHMZBOCLSA-N 1 0 266.366 2.921 20 5 CFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355761 189321354 /nfs/dbraw/zinc/32/13/54/189321354.db2.gz RSPASZIZRDOPHY-CYBMUJFWSA-N 1 0 298.770 2.984 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000182739606 189333383 /nfs/dbraw/zinc/33/33/83/189333383.db2.gz ITSFGMBYRQLMPD-ZFWWWQNUSA-N 1 0 291.395 2.990 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCn1cccn1 ZINC000182779163 189334583 /nfs/dbraw/zinc/33/45/83/189334583.db2.gz QTBJUNNXWGNZFM-CYBMUJFWSA-N 1 0 288.351 2.793 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183283764 189353506 /nfs/dbraw/zinc/35/35/06/189353506.db2.gz XIIDXPXAONWZOP-AWEZNQCLSA-N 1 0 264.325 2.514 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCOC2)c(Cl)c1 ZINC000183808159 189368419 /nfs/dbraw/zinc/36/84/19/189368419.db2.gz BNMITZCOGBGISB-UHFFFAOYSA-N 1 0 282.727 2.685 20 5 CFBDRO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183717517 189366771 /nfs/dbraw/zinc/36/67/71/189366771.db2.gz GEPYQBKLNAYGGR-OLZOCXBDSA-N 1 0 288.351 2.921 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301762591 201183084 /nfs/dbraw/zinc/18/30/84/201183084.db2.gz BULBKCIWCSJNGK-SECBINFHSA-N 1 0 285.294 2.768 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184671671 189391757 /nfs/dbraw/zinc/39/17/57/189391757.db2.gz MGADLRSGBXICPX-IAQYHMDHSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000301980945 201286021 /nfs/dbraw/zinc/28/60/21/201286021.db2.gz GXVLIPPFBMNFJV-SECBINFHSA-N 1 0 257.359 2.799 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1sccc1[N+](=O)[O-] ZINC000301991815 201290423 /nfs/dbraw/zinc/29/04/23/201290423.db2.gz NMBUCMAMOHCBRX-UHFFFAOYSA-N 1 0 257.359 2.656 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000302008995 201296732 /nfs/dbraw/zinc/29/67/32/201296732.db2.gz XNCMNVYJWSUPMI-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000302182259 201385008 /nfs/dbraw/zinc/38/50/08/201385008.db2.gz ZBJXUMTVVAJUMW-UHFFFAOYSA-N 1 0 261.325 2.659 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H](C)O ZINC000433202238 240124852 /nfs/dbraw/zinc/12/48/52/240124852.db2.gz ZQVKEKWFVFWDRL-CNELAYHGSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1c[nH]c(-c2csc(C3CC[NH2+]CC3)n2)c1 ZINC000434658905 240252024 /nfs/dbraw/zinc/25/20/24/240252024.db2.gz JTTMTJZVNWYUEH-UHFFFAOYSA-N 1 0 278.337 2.513 20 5 CFBDRO CCCN(C)Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000445181825 241209660 /nfs/dbraw/zinc/20/96/60/241209660.db2.gz DNFXMQSNPAUFDV-UHFFFAOYSA-N 1 0 290.323 2.795 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449335804 241855502 /nfs/dbraw/zinc/85/55/02/241855502.db2.gz LXCMXIRWGPYIJV-TUAOUCFPSA-N 1 0 266.341 2.539 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC000449743322 242132105 /nfs/dbraw/zinc/13/21/05/242132105.db2.gz WQIOEHSTOGIFSL-AAEUAGOBSA-N 1 0 264.300 2.870 20 5 CFBDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000275914877 193161947 /nfs/dbraw/zinc/16/19/47/193161947.db2.gz FUJSYPKMLLBWCR-HDJSIYSDSA-N 1 0 278.352 2.639 20 5 CFBDRO COC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000452036791 243017715 /nfs/dbraw/zinc/01/77/15/243017715.db2.gz KCCBXXRFJCLYQB-HNNXBMFYSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@@H](C)C1 ZINC000452058707 243029436 /nfs/dbraw/zinc/02/94/36/243029436.db2.gz ACLNFRPGENVHCT-WOPDTQHZSA-N 1 0 280.372 2.633 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452124461 243055521 /nfs/dbraw/zinc/05/55/21/243055521.db2.gz JAXMEKYUINVXCW-STQMWFEESA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H](NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020129216 296122543 /nfs/dbraw/zinc/12/25/43/296122543.db2.gz AZPQFZACXHLFAD-CYBMUJFWSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330640769 203069627 /nfs/dbraw/zinc/06/96/27/203069627.db2.gz IBYFSUCWZJHDSV-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO CCC(O)(CC)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000276230097 193250192 /nfs/dbraw/zinc/25/01/92/193250192.db2.gz NKYSUUYHRKFPHR-UHFFFAOYSA-N 1 0 266.341 2.626 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1F ZINC000276319161 193286151 /nfs/dbraw/zinc/28/61/51/193286151.db2.gz ODONFVVYUXVGDU-GFCCVEGCSA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000253196036 296150788 /nfs/dbraw/zinc/15/07/88/296150788.db2.gz SHOFKQDONCLQKJ-LOWVWBTDSA-N 1 0 264.325 2.670 20 5 CFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000459675763 245267550 /nfs/dbraw/zinc/26/75/50/245267550.db2.gz MPWVGSVVXWXJJI-AWEZNQCLSA-N 1 0 278.352 2.986 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795524 245331372 /nfs/dbraw/zinc/33/13/72/245331372.db2.gz XVRDMHVHBWFNAI-SWHYSGLUSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459765883 245311367 /nfs/dbraw/zinc/31/13/67/245311367.db2.gz PHDCZUZMGHEBJL-RYUDHWBXSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCF ZINC000462813158 245390420 /nfs/dbraw/zinc/39/04/20/245390420.db2.gz QHRKYYYOFXLTPF-LLVKDONJSA-N 1 0 297.330 2.651 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCF ZINC000462813159 245390645 /nfs/dbraw/zinc/39/06/45/245390645.db2.gz QHRKYYYOFXLTPF-NSHDSACASA-N 1 0 297.330 2.651 20 5 CFBDRO C[N@H+](CCc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000019607226 372176909 /nfs/dbraw/zinc/17/69/09/372176909.db2.gz MNYCSAFHUCQILN-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000020092527 372228886 /nfs/dbraw/zinc/22/88/86/372228886.db2.gz CDMYUIXXQCNEFX-AAEUAGOBSA-N 1 0 264.325 2.733 20 5 CFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035014107 372527119 /nfs/dbraw/zinc/52/71/19/372527119.db2.gz AQFRKXMQHYSNSS-UHFFFAOYSA-N 1 0 263.341 2.881 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000035014094 372527245 /nfs/dbraw/zinc/52/72/45/372527245.db2.gz UASBVJIFJZDJOH-UHFFFAOYSA-N 1 0 267.304 2.630 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793916 372593488 /nfs/dbraw/zinc/59/34/88/372593488.db2.gz FAUAUPAOIKASHM-FZMZJTMJSA-N 1 0 293.367 2.502 20 5 CFBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000037754783 372698863 /nfs/dbraw/zinc/69/88/63/372698863.db2.gz STDQCHKWSQYFOJ-UHFFFAOYSA-N 1 0 277.246 2.587 20 5 CFBDRO CC[C@H]([NH2+]C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037266984 372661722 /nfs/dbraw/zinc/66/17/22/372661722.db2.gz MRJINEIMAKKEOR-HNNXBMFYSA-N 1 0 277.368 2.730 20 5 CFBDRO [NH3+]CCCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000037714988 372692112 /nfs/dbraw/zinc/69/21/12/372692112.db2.gz BWGUUCWXPRRLPC-UHFFFAOYSA-N 1 0 288.145 2.508 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000037738365 372693801 /nfs/dbraw/zinc/69/38/01/372693801.db2.gz KLIITKHKTRTGFJ-RYUDHWBXSA-N 1 0 264.325 2.590 20 5 CFBDRO CSCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775652 372706646 /nfs/dbraw/zinc/70/66/46/372706646.db2.gz XGUNBUFOMVPZFS-SNVBAGLBSA-N 1 0 254.355 2.999 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040775068 372786836 /nfs/dbraw/zinc/78/68/36/372786836.db2.gz MUTGOUYAHGPBKZ-WCQYABFASA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@@H]([NH2+]CCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041119304 372816563 /nfs/dbraw/zinc/81/65/63/372816563.db2.gz JMOHGPRWJAKNRA-CQSZACIVSA-N 1 0 274.324 2.532 20 5 CFBDRO C[C@H]([NH2+]CCCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000045105785 373014815 /nfs/dbraw/zinc/01/48/15/373014815.db2.gz OYHDTTKCFOXYAR-ZDUSSCGKSA-N 1 0 288.351 2.922 20 5 CFBDRO C[C@H](CC[NH+](C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000049553861 373310853 /nfs/dbraw/zinc/31/08/53/373310853.db2.gz QJRLUKZRLALFMN-SNVBAGLBSA-N 1 0 285.775 2.678 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOCC(F)(F)F ZINC000050015731 373339872 /nfs/dbraw/zinc/33/98/72/373339872.db2.gz VULYIUSYUKQHON-UHFFFAOYSA-N 1 0 292.257 2.653 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051996369 373426457 /nfs/dbraw/zinc/42/64/57/373426457.db2.gz GMPLOCYOCQGALL-STQMWFEESA-N 1 0 284.743 2.641 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCSC1)C2 ZINC000571392934 383689992 /nfs/dbraw/zinc/68/99/92/383689992.db2.gz JCGNKOMHRZIRBW-NSHDSACASA-N 1 0 278.377 2.706 20 5 CFBDRO COCCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000062031431 373743515 /nfs/dbraw/zinc/74/35/15/373743515.db2.gz WJFKJDPUIBLEAZ-UHFFFAOYSA-N 1 0 272.732 2.717 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000062057975 373744495 /nfs/dbraw/zinc/74/44/95/373744495.db2.gz BUYKVGZYSDLWSR-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000289549843 197398770 /nfs/dbraw/zinc/39/87/70/197398770.db2.gz QZKFMKUVHXXWIM-CYBMUJFWSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000063493892 373807216 /nfs/dbraw/zinc/80/72/16/373807216.db2.gz PPNJBJYKUPJFGZ-UHFFFAOYSA-N 1 0 291.351 2.716 20 5 CFBDRO C[C@@H]([NH2+]CCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000063133683 373786953 /nfs/dbraw/zinc/78/69/53/373786953.db2.gz XNCVVOKEGJMTFL-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188300 373790468 /nfs/dbraw/zinc/79/04/68/373790468.db2.gz GHNMNVZUWLNFEJ-HOTGVXAUSA-N 1 0 289.379 2.701 20 5 CFBDRO COc1cc(C[N@H+](C)[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000489460964 245957114 /nfs/dbraw/zinc/95/71/14/245957114.db2.gz DPNKQMGSZYVCEQ-ZDUSSCGKSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070074604 374122051 /nfs/dbraw/zinc/12/20/51/374122051.db2.gz NARFVKYRRRYZLK-WDEREUQCSA-N 1 0 297.786 2.807 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)C1CCCC1 ZINC000289489464 197372660 /nfs/dbraw/zinc/37/26/60/197372660.db2.gz GCEGZMYBDXHDIN-FUVBFXSKSA-N 1 0 290.363 2.749 20 5 CFBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000070360830 374170102 /nfs/dbraw/zinc/17/01/02/374170102.db2.gz WWRHIJZSHNDSHI-GFCCVEGCSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1ccnc(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000070496121 374188257 /nfs/dbraw/zinc/18/82/57/374188257.db2.gz YEZMWMKCZDKMOZ-GFCCVEGCSA-N 1 0 278.356 2.585 20 5 CFBDRO CCCC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072949929 374307950 /nfs/dbraw/zinc/30/79/50/374307950.db2.gz TTYLCOIILWNBOH-UHFFFAOYSA-N 1 0 293.367 2.964 20 5 CFBDRO O=[N+]([O-])c1ccccc1NCCC[NH+]1CCCCC1 ZINC000072751767 374285279 /nfs/dbraw/zinc/28/52/79/374285279.db2.gz FDWXAUTYZLLIGO-UHFFFAOYSA-N 1 0 263.341 2.883 20 5 CFBDRO Cc1cc(NCC[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000073000317 374314253 /nfs/dbraw/zinc/31/42/53/374314253.db2.gz YYECARPHQXHTQA-UHFFFAOYSA-N 1 0 278.356 2.586 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076344547 374548073 /nfs/dbraw/zinc/54/80/73/374548073.db2.gz KLESTDJELCLSQR-ZDUSSCGKSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000079735236 374628793 /nfs/dbraw/zinc/62/87/93/374628793.db2.gz PSYHSARKGMDQDE-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000081545179 374702911 /nfs/dbraw/zinc/70/29/11/374702911.db2.gz DJYZSVLZDUZHTJ-GFCCVEGCSA-N 1 0 294.351 2.897 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000084439712 374775592 /nfs/dbraw/zinc/77/55/92/374775592.db2.gz JLIQDQYKQRSLAV-NSHDSACASA-N 1 0 270.716 2.517 20 5 CFBDRO CC[N@@H+]1CC[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439863 374776162 /nfs/dbraw/zinc/77/61/62/374776162.db2.gz MMTUHJNDLWBASO-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000090217379 375003870 /nfs/dbraw/zinc/00/38/70/375003870.db2.gz DFOYMTKACLPUJH-BXUZGUMPSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000090795151 375030350 /nfs/dbraw/zinc/03/03/50/375030350.db2.gz KHPQPDSYULFMPD-UWVGGRQHSA-N 1 0 267.304 2.629 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCSC1 ZINC000089937753 374972929 /nfs/dbraw/zinc/97/29/29/374972929.db2.gz LJILOJBUHDXMDX-LBPRGKRZSA-N 1 0 282.365 2.541 20 5 CFBDRO COC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093337473 375216659 /nfs/dbraw/zinc/21/66/59/375216659.db2.gz DUDZVICRIQAUST-GPAKFWEMSA-N 1 0 290.363 2.966 20 5 CFBDRO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644134 375281037 /nfs/dbraw/zinc/28/10/37/375281037.db2.gz HDPXGXJRXNUJBQ-HIFRSBDPSA-N 1 0 291.395 2.818 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)c1 ZINC000094195380 375344863 /nfs/dbraw/zinc/34/48/63/375344863.db2.gz BKOPYOKAULXBMX-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO C[N@H+](CCOCC1CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094987365 375402605 /nfs/dbraw/zinc/40/26/05/375402605.db2.gz IFWLXMLZWGQKPB-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO CCOc1cccc(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000097934302 375587911 /nfs/dbraw/zinc/58/79/11/375587911.db2.gz FRXQVCOUZRAPBE-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000097435935 375558705 /nfs/dbraw/zinc/55/87/05/375558705.db2.gz HTNHFEUXJKECSX-JQWIXIFHSA-N 1 0 266.341 2.572 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000571603997 383708541 /nfs/dbraw/zinc/70/85/41/383708541.db2.gz WWAGBNARAVVNKJ-HNNXBMFYSA-N 1 0 283.331 2.979 20 5 CFBDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000112716686 375954018 /nfs/dbraw/zinc/95/40/18/375954018.db2.gz JBMPJVSDYIGMJC-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000112379534 375913953 /nfs/dbraw/zinc/91/39/53/375913953.db2.gz FRJGVUJBAAVMSU-YIBPYUTOSA-N 1 0 292.379 2.995 20 5 CFBDRO CC(C)(C)C[N@H+](CCCO)Cc1ccccc1[N+](=O)[O-] ZINC000112567204 375932064 /nfs/dbraw/zinc/93/20/64/375932064.db2.gz GKXPHQLRGIUDSL-UHFFFAOYSA-N 1 0 280.368 2.825 20 5 CFBDRO COC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000113506788 376021324 /nfs/dbraw/zinc/02/13/24/376021324.db2.gz DYIUFGSGJCVJOW-UHFFFAOYSA-N 1 0 294.351 2.677 20 5 CFBDRO C[C@@H]1SCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000118415038 376294551 /nfs/dbraw/zinc/29/45/51/376294551.db2.gz ZFJYEYQUCAIFGO-RYUDHWBXSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@H]1SCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000118419792 376297504 /nfs/dbraw/zinc/29/75/04/376297504.db2.gz ZYECARBVOACRHO-VXGBXAGGSA-N 1 0 296.392 2.799 20 5 CFBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000119740131 376463819 /nfs/dbraw/zinc/46/38/19/376463819.db2.gz UOJTUDGCBILSIC-CQSZACIVSA-N 1 0 278.352 2.762 20 5 CFBDRO C[N@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000120663923 376664551 /nfs/dbraw/zinc/66/45/51/376664551.db2.gz PQGMTRYNGQNHGK-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000122546595 376931273 /nfs/dbraw/zinc/93/12/73/376931273.db2.gz IMIWTSMCFBTQNJ-SECBINFHSA-N 1 0 270.716 2.627 20 5 CFBDRO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128473836 377340268 /nfs/dbraw/zinc/34/02/68/377340268.db2.gz KJTLKXGJKUQJKC-GXTWGEPZSA-N 1 0 279.384 2.961 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000130312586 377536497 /nfs/dbraw/zinc/53/64/97/377536497.db2.gz FOHATEJXKCACTF-ONGXEEELSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[N@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130380735 377547272 /nfs/dbraw/zinc/54/72/72/377547272.db2.gz SZFRBZASEHVAFX-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000133241371 377915804 /nfs/dbraw/zinc/91/58/04/377915804.db2.gz IJMPGAIIOZAESG-MRVPVSSYSA-N 1 0 291.273 2.881 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCSCC2)cs1 ZINC000134611762 378038051 /nfs/dbraw/zinc/03/80/51/378038051.db2.gz YSJDXJIOPNNFST-UHFFFAOYSA-N 1 0 272.395 2.889 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000134824410 378051105 /nfs/dbraw/zinc/05/11/05/378051105.db2.gz FMNRPEQDPJSFGY-LLVKDONJSA-N 1 0 293.367 2.550 20 5 CFBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000135431404 378131814 /nfs/dbraw/zinc/13/18/14/378131814.db2.gz WWRBMKJLDXFNPF-CYBMUJFWSA-N 1 0 266.366 2.922 20 5 CFBDRO COc1ccc(OCC[N@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135278238 378110505 /nfs/dbraw/zinc/11/05/05/378110505.db2.gz IBDIKILFMJFLAE-UHFFFAOYSA-N 1 0 294.351 2.714 20 5 CFBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000149406101 378264187 /nfs/dbraw/zinc/26/41/87/378264187.db2.gz LGUAMCXTKJXXJI-UFBFGSQYSA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+](C)C ZINC000151931386 378374246 /nfs/dbraw/zinc/37/42/46/378374246.db2.gz BJXAMMRHZVWLNJ-LBPRGKRZSA-N 1 0 265.357 2.506 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000153101150 378473371 /nfs/dbraw/zinc/47/33/71/378473371.db2.gz VQEUOOZZSRCVGZ-DGCLKSJQSA-N 1 0 264.325 2.733 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000152994410 378465490 /nfs/dbraw/zinc/46/54/90/378465490.db2.gz BJYHMZKFMDDHIM-BETUJISGSA-N 1 0 276.336 2.706 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)COC)cc1[N+](=O)[O-] ZINC000152512419 378424684 /nfs/dbraw/zinc/42/46/84/378424684.db2.gz ZYVDSOQJHJYLAS-MNOVXSKESA-N 1 0 282.340 2.679 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330414208 378549481 /nfs/dbraw/zinc/54/94/81/378549481.db2.gz ZXDLNJDRHIDYJH-WOPDTQHZSA-N 1 0 291.351 2.700 20 5 CFBDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154356339 378560059 /nfs/dbraw/zinc/56/00/59/378560059.db2.gz OXXYHCNOAKLLCY-NSHDSACASA-N 1 0 293.367 2.537 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)C1 ZINC000330580891 378588384 /nfs/dbraw/zinc/58/83/84/378588384.db2.gz UEABIPSASAZYOH-RISCZKNCSA-N 1 0 264.325 2.503 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)C1 ZINC000330580892 378588667 /nfs/dbraw/zinc/58/86/67/378588667.db2.gz UEABIPSASAZYOH-SMDDNHRTSA-N 1 0 264.325 2.503 20 5 CFBDRO Cc1c(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000331270801 378660667 /nfs/dbraw/zinc/66/06/67/378660667.db2.gz ATQRGEROYZSITG-RBOXIYTFSA-N 1 0 292.379 2.885 20 5 CFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331269939 378660695 /nfs/dbraw/zinc/66/06/95/378660695.db2.gz AETOWBKPFRVKEV-TYNCELHUSA-N 1 0 278.352 2.576 20 5 CFBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159149840 378688664 /nfs/dbraw/zinc/68/86/64/378688664.db2.gz UDVCDNDQGLCEJK-NEPJUHHUSA-N 1 0 266.341 2.715 20 5 CFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000331169286 378643434 /nfs/dbraw/zinc/64/34/34/378643434.db2.gz NSMOBXRMPOPSPZ-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H](O)C[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000159512161 378713390 /nfs/dbraw/zinc/71/33/90/378713390.db2.gz RJBCEDFSEJAORK-LBPRGKRZSA-N 1 0 297.354 2.759 20 5 CFBDRO COCCOCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163428984 378971777 /nfs/dbraw/zinc/97/17/77/378971777.db2.gz JNERRYGQLNWBLX-ZDUSSCGKSA-N 1 0 296.367 2.607 20 5 CFBDRO CC(C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278613808 194068745 /nfs/dbraw/zinc/06/87/45/194068745.db2.gz GUPYIJVIARJTCD-SECBINFHSA-N 1 0 262.313 2.605 20 5 CFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000278640889 194081240 /nfs/dbraw/zinc/08/12/40/194081240.db2.gz JAOGMBBPAHYUEE-NSHDSACASA-N 1 0 276.340 2.995 20 5 CFBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000166116042 379048813 /nfs/dbraw/zinc/04/88/13/379048813.db2.gz NFAOSNJYFZHURO-NXEZZACHSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000278693354 194105805 /nfs/dbraw/zinc/10/58/05/194105805.db2.gz JHLQRSZQTIBDRD-WFASDCNBSA-N 1 0 294.351 2.789 20 5 CFBDRO C[C@@H](CCCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000168247722 379083925 /nfs/dbraw/zinc/08/39/25/379083925.db2.gz KBEOWEFZYLQOKK-WFASDCNBSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@@H](O)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000278713723 194117084 /nfs/dbraw/zinc/11/70/84/194117084.db2.gz IGFBFQQPIZZQCX-QWHCGFSZSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000168992056 379103344 /nfs/dbraw/zinc/10/33/44/379103344.db2.gz FQZALIXEOXIMGL-SNVBAGLBSA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000171734220 379388964 /nfs/dbraw/zinc/38/89/64/379388964.db2.gz RKOPVXLYWKAFON-NSHDSACASA-N 1 0 294.351 2.805 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171951764 379449923 /nfs/dbraw/zinc/44/99/23/379449923.db2.gz FUPYZLZBZNCLOM-NSHDSACASA-N 1 0 294.351 2.939 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171950502 379450712 /nfs/dbraw/zinc/45/07/12/379450712.db2.gz JVNFTZFJQNBZIP-NSHDSACASA-N 1 0 293.367 2.820 20 5 CFBDRO CC[NH+](CC)CCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000172807806 379651182 /nfs/dbraw/zinc/65/11/82/379651182.db2.gz XGHGIQKDQATTHD-UHFFFAOYSA-N 1 0 280.372 2.832 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H](O)c2ccccc2)cs1 ZINC000289440488 197349303 /nfs/dbraw/zinc/34/93/03/197349303.db2.gz LXBMTVYDHVMGLS-ZDUSSCGKSA-N 1 0 292.360 2.870 20 5 CFBDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173440772 379740553 /nfs/dbraw/zinc/74/05/53/379740553.db2.gz UGSIZYIJCIQCJJ-LLVKDONJSA-N 1 0 294.351 2.977 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC000176193020 380191341 /nfs/dbraw/zinc/19/13/41/380191341.db2.gz QRUKAKAVAMYCOO-UHFFFAOYSA-N 1 0 294.742 2.577 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000177878397 380388719 /nfs/dbraw/zinc/38/87/19/380388719.db2.gz AXYHNWNQLATRFZ-JQWIXIFHSA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000177898528 380390607 /nfs/dbraw/zinc/39/06/07/380390607.db2.gz CCWAIAIAWPFFNI-VXGBXAGGSA-N 1 0 264.325 2.704 20 5 CFBDRO Cc1[nH+]ccc(NCc2ccccc2[N+](=O)[O-])c1Cl ZINC000336819436 380683359 /nfs/dbraw/zinc/68/33/59/380683359.db2.gz ZSSABNPYPKEGNN-UHFFFAOYSA-N 1 0 277.711 2.986 20 5 CFBDRO CCOc1cc(C[N@H+](CCO)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000287403855 380823864 /nfs/dbraw/zinc/82/38/64/380823864.db2.gz OCTNOAGFBMIFTG-LBPRGKRZSA-N 1 0 296.367 2.586 20 5 CFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000181409087 380788416 /nfs/dbraw/zinc/78/84/16/380788416.db2.gz VIPWNLISILEWSI-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO CC1(C)C[C@@H](O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295429876 380847588 /nfs/dbraw/zinc/84/75/88/380847588.db2.gz JGVSGBGOQAUIHA-HNNXBMFYSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCC[C@H]2CCOC2)cs1 ZINC000402048674 380879633 /nfs/dbraw/zinc/87/96/33/380879633.db2.gz MAIVNTBSPCAEHO-JTQLQIEISA-N 1 0 270.354 2.563 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000279257570 194354897 /nfs/dbraw/zinc/35/48/97/194354897.db2.gz HTYDDZXEMPGPMV-OAHLLOKOSA-N 1 0 294.351 2.604 20 5 CFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000341271569 380887690 /nfs/dbraw/zinc/88/76/90/380887690.db2.gz VNAOQVKDEQMRRK-HIFRSBDPSA-N 1 0 278.352 2.808 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287634137 380892737 /nfs/dbraw/zinc/89/27/37/380892737.db2.gz UHBKLVOUWHZVOY-SGMGOOAPSA-N 1 0 278.352 2.918 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353848817 380897367 /nfs/dbraw/zinc/89/73/67/380897367.db2.gz WOFJSIQXNIBVCD-CYBMUJFWSA-N 1 0 278.352 2.939 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000181837962 380909758 /nfs/dbraw/zinc/90/97/58/380909758.db2.gz SORNKVCVJIZYCY-NEPJUHHUSA-N 1 0 292.335 2.507 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287867255 380960479 /nfs/dbraw/zinc/96/04/79/380960479.db2.gz NGEDCIOUTJLWJF-LBPRGKRZSA-N 1 0 292.383 2.567 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347170143 380982419 /nfs/dbraw/zinc/98/24/19/380982419.db2.gz MZYILBAEGJRKMZ-FZSTZKMBSA-N 1 0 289.379 2.810 20 5 CFBDRO CC[N@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295564733 380945113 /nfs/dbraw/zinc/94/51/13/380945113.db2.gz QROVQTMZDNOCHQ-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO Cc1cc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000353973318 380992496 /nfs/dbraw/zinc/99/24/96/380992496.db2.gz IBJWALZLHUAVOW-NSHDSACASA-N 1 0 275.308 2.785 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412020468 381092703 /nfs/dbraw/zinc/09/27/03/381092703.db2.gz KQPSCGALUQPRRN-LLVKDONJSA-N 1 0 264.325 2.642 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000412025439 381100122 /nfs/dbraw/zinc/10/01/22/381100122.db2.gz QBHQBKKKMUIMTR-VIFPVBQESA-N 1 0 270.354 2.704 20 5 CFBDRO CC[C@H]([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000289690650 381103773 /nfs/dbraw/zinc/10/37/73/381103773.db2.gz ICDQAOTZNOIZPY-AWEZNQCLSA-N 1 0 274.324 2.601 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCOC1 ZINC000347376094 381108941 /nfs/dbraw/zinc/10/89/41/381108941.db2.gz ZHBLPPRFIGECBV-PINLSGDHSA-N 1 0 276.336 2.719 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(F)C1 ZINC000347379376 381110923 /nfs/dbraw/zinc/11/09/23/381110923.db2.gz MUDJXEPGOYNSKB-CYBMUJFWSA-N 1 0 268.288 2.537 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412041248 381117501 /nfs/dbraw/zinc/11/75/01/381117501.db2.gz RZSMUPHHMYBWRD-ZKYQVNSYSA-N 1 0 278.352 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000289730668 381125907 /nfs/dbraw/zinc/12/59/07/381125907.db2.gz ZQDPXUXDIQMFIA-CYBMUJFWSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000289734667 381127954 /nfs/dbraw/zinc/12/79/54/381127954.db2.gz VMNOWUGGMYSAKL-OAHLLOKOSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000182652778 381127918 /nfs/dbraw/zinc/12/79/18/381127918.db2.gz XPLBDRCUHOJPMM-CYBMUJFWSA-N 1 0 291.395 2.990 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000359086606 381257692 /nfs/dbraw/zinc/25/76/92/381257692.db2.gz VXRFMZDNKOHADZ-CHWSQXEVSA-N 1 0 290.367 2.645 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000342299914 381258678 /nfs/dbraw/zinc/25/86/78/381258678.db2.gz LRIOKBOKSNVCMJ-UHFFFAOYSA-N 1 0 284.331 2.718 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369464658 381266276 /nfs/dbraw/zinc/26/62/76/381266276.db2.gz FXWQRJPDYQTJPT-LSDHHAIUSA-N 1 0 276.336 2.738 20 5 CFBDRO CC[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000296067962 381241169 /nfs/dbraw/zinc/24/11/69/381241169.db2.gz QXNKHWSFVLUOKJ-LLVKDONJSA-N 1 0 288.351 2.883 20 5 CFBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354395332 381241298 /nfs/dbraw/zinc/24/12/98/381241298.db2.gz DLXQNLDTCHITNW-CHWSQXEVSA-N 1 0 280.372 2.596 20 5 CFBDRO O=[N+]([O-])c1cc(CN(C2CC2)C2COC2)ccc1Cl ZINC000296074476 381243530 /nfs/dbraw/zinc/24/35/30/381243530.db2.gz QBDCDYIJFIMIKC-UHFFFAOYSA-N 1 0 282.727 2.611 20 5 CFBDRO CCN(Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183295604 381250187 /nfs/dbraw/zinc/25/01/87/381250187.db2.gz MEUAXBWQBZPIJW-UHFFFAOYSA-N 1 0 288.351 2.659 20 5 CFBDRO CC[NH+]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347681181 381295359 /nfs/dbraw/zinc/29/53/59/381295359.db2.gz BCKYXJBFGIARQA-STQMWFEESA-N 1 0 277.368 2.509 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000290105363 381301729 /nfs/dbraw/zinc/30/17/29/381301729.db2.gz HWGKFXPBJXNIDY-INIZCTEOSA-N 1 0 292.379 2.888 20 5 CFBDRO CCOc1cc(NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000359301709 381337104 /nfs/dbraw/zinc/33/71/04/381337104.db2.gz OCGZEAUMNHIGBH-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000369691813 381315130 /nfs/dbraw/zinc/31/51/30/381315130.db2.gz FUUSCSZNOPSNIK-UHFFFAOYSA-N 1 0 292.364 2.690 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000342412004 381318156 /nfs/dbraw/zinc/31/81/56/381318156.db2.gz GXHIDAFAIZHFJX-ZDUSSCGKSA-N 1 0 279.384 2.805 20 5 CFBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])c(C)n1 ZINC000359269189 381320559 /nfs/dbraw/zinc/32/05/59/381320559.db2.gz ZQTVVGUTIBCYBA-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000369965254 381358943 /nfs/dbraw/zinc/35/89/43/381358943.db2.gz QVOBDRIQCFYSFT-UHFFFAOYSA-N 1 0 290.363 2.987 20 5 CFBDRO COC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354705873 381412394 /nfs/dbraw/zinc/41/23/94/381412394.db2.gz MIPICXGKWPOFRX-NSHDSACASA-N 1 0 290.319 2.979 20 5 CFBDRO CCC1([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296624366 381477984 /nfs/dbraw/zinc/47/79/84/381477984.db2.gz XBTZIWYRGMXRQN-LLVKDONJSA-N 1 0 291.351 2.844 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000290783719 381550067 /nfs/dbraw/zinc/55/00/67/381550067.db2.gz NHQOBHCADDAGGX-LLVKDONJSA-N 1 0 280.372 2.709 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000296725315 381521372 /nfs/dbraw/zinc/52/13/72/381521372.db2.gz NMNUMZJLSZXUIN-PUHVVEEASA-N 1 0 264.325 2.811 20 5 CFBDRO C[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290928103 381601022 /nfs/dbraw/zinc/60/10/22/381601022.db2.gz ROPGWXXJFAYXLA-SSDOTTSWSA-N 1 0 293.150 2.762 20 5 CFBDRO Cc1cc(NC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290909240 381594164 /nfs/dbraw/zinc/59/41/64/381594164.db2.gz GCQUHXSSHRDXDL-UHFFFAOYSA-N 1 0 267.304 2.548 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000348547010 381625813 /nfs/dbraw/zinc/62/58/13/381625813.db2.gz NTISBRWADKXUTN-QPBFKRLHSA-N 1 0 289.379 2.634 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298441432 381626634 /nfs/dbraw/zinc/62/66/34/381626634.db2.gz RFAKGUPBCIIWQV-LLVKDONJSA-N 1 0 294.351 2.938 20 5 CFBDRO CC[C@@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414978081 381672458 /nfs/dbraw/zinc/67/24/58/381672458.db2.gz LCNFEEFPHCHZAL-GFCCVEGCSA-N 1 0 289.335 2.682 20 5 CFBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H](C)OC ZINC000291224086 381713840 /nfs/dbraw/zinc/71/38/40/381713840.db2.gz LUAUWZYGMOLRTI-NSHDSACASA-N 1 0 266.341 2.760 20 5 CFBDRO COC1CC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000348709382 381677622 /nfs/dbraw/zinc/67/76/22/381677622.db2.gz MMMJPPXGYQLMOB-FNORWQNLSA-N 1 0 276.336 2.717 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000355213502 381682089 /nfs/dbraw/zinc/68/20/89/381682089.db2.gz RCZYGTJXBCLWAD-STQMWFEESA-N 1 0 296.392 2.905 20 5 CFBDRO C[C@H]1[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343481468 381742646 /nfs/dbraw/zinc/74/26/46/381742646.db2.gz SSBYRXVMDSLUSS-QPUJVOFHSA-N 1 0 285.294 2.768 20 5 CFBDRO CCOc1cc(C[N@H+](CC)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000291352791 381757957 /nfs/dbraw/zinc/75/79/57/381757957.db2.gz YAGMYLXGHDXMAE-GFCCVEGCSA-N 1 0 296.367 2.850 20 5 CFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335003 381761126 /nfs/dbraw/zinc/76/11/26/381761126.db2.gz NFKVBEFMCUQMSZ-NWDGAFQWSA-N 1 0 280.372 2.729 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000372148505 381763268 /nfs/dbraw/zinc/76/32/68/381763268.db2.gz GTAPIVBJSOOIOG-CWRNSKLLSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H]3CCCCC[C@H]32)c1 ZINC000372148506 381763396 /nfs/dbraw/zinc/76/33/96/381763396.db2.gz GTAPIVBJSOOIOG-FVQBIDKESA-N 1 0 290.363 2.893 20 5 CFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000292329043 381799554 /nfs/dbraw/zinc/79/95/54/381799554.db2.gz ASIYHRDMFHBAJT-GFCCVEGCSA-N 1 0 295.358 2.820 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343606269 381836062 /nfs/dbraw/zinc/83/60/62/381836062.db2.gz PBHFFVIOTJTFLT-SMDDNHRTSA-N 1 0 293.367 2.636 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000292886208 381883392 /nfs/dbraw/zinc/88/33/92/381883392.db2.gz COONCAHNRBKMNI-ZDUSSCGKSA-N 1 0 284.743 2.763 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000343628420 381854165 /nfs/dbraw/zinc/85/41/65/381854165.db2.gz MWXYHGNRPUBWRC-ZDUSSCGKSA-N 1 0 293.367 2.608 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349410407 381926616 /nfs/dbraw/zinc/92/66/16/381926616.db2.gz SYOCSQXPTUIRFS-BLLLJJGKSA-N 1 0 292.379 2.921 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186492851 381927126 /nfs/dbraw/zinc/92/71/26/381927126.db2.gz VFERCPILQUENJU-YTRREALPSA-N 1 0 278.352 2.963 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000356894665 381891585 /nfs/dbraw/zinc/89/15/85/381891585.db2.gz JKSWDECZUZDLCS-JSGCOSHPSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000343811749 381957551 /nfs/dbraw/zinc/95/75/51/381957551.db2.gz UWMYKAGALVXWDB-MRVPVSSYSA-N 1 0 289.282 2.558 20 5 CFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000293044749 381965521 /nfs/dbraw/zinc/96/55/21/381965521.db2.gz MKPCBGBPHNLPAZ-INIZCTEOSA-N 1 0 292.379 2.825 20 5 CFBDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293056488 381971429 /nfs/dbraw/zinc/97/14/29/381971429.db2.gz IGLOBMLNDGSROB-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186527372 381937292 /nfs/dbraw/zinc/93/72/92/381937292.db2.gz UKEIGDXPJPSSCS-LBPRGKRZSA-N 1 0 290.319 2.715 20 5 CFBDRO Cc1ccccc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000293014203 381950631 /nfs/dbraw/zinc/95/06/31/381950631.db2.gz QBGMRQDXWOTVTQ-UHFFFAOYSA-N 1 0 288.351 2.625 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293126033 381999321 /nfs/dbraw/zinc/99/93/21/381999321.db2.gz MQADMYBACYHJQV-GXTWGEPZSA-N 1 0 278.352 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC000293126036 382000177 /nfs/dbraw/zinc/00/01/77/382000177.db2.gz MQADMYBACYHJQV-JSGCOSHPSA-N 1 0 278.352 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC[N@H+](C)C1CC1 ZINC000186785084 382013290 /nfs/dbraw/zinc/01/32/90/382013290.db2.gz ZQXKRRQRBIUAIC-ZDUSSCGKSA-N 1 0 291.395 2.990 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCF)CCCC2 ZINC000417331512 382043770 /nfs/dbraw/zinc/04/37/70/382043770.db2.gz MFBCJPGECDOYOY-ZDUSSCGKSA-N 1 0 252.289 2.921 20 5 CFBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301058864 382068982 /nfs/dbraw/zinc/06/89/82/382068982.db2.gz AOVAYYSABJKYFA-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273697 382057792 /nfs/dbraw/zinc/05/77/92/382057792.db2.gz CLUBNEURJXVIPQ-NEPJUHHUSA-N 1 0 294.399 2.558 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293273701 382058379 /nfs/dbraw/zinc/05/83/79/382058379.db2.gz CLUBNEURJXVIPQ-RYUDHWBXSA-N 1 0 294.399 2.558 20 5 CFBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362434848 382067133 /nfs/dbraw/zinc/06/71/33/382067133.db2.gz PYBDUHWNQOBCBR-TXEJJXNPSA-N 1 0 294.351 2.570 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000186797196 382016899 /nfs/dbraw/zinc/01/68/99/382016899.db2.gz OPFXLHVFQMLPSH-UXIGCNINSA-N 1 0 278.352 2.857 20 5 CFBDRO COc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362434849 382067681 /nfs/dbraw/zinc/06/76/81/382067681.db2.gz PYBDUHWNQOBCBR-VXGBXAGGSA-N 1 0 294.351 2.570 20 5 CFBDRO C[C@H](CCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417315565 382038712 /nfs/dbraw/zinc/03/87/12/382038712.db2.gz SHYHDNCEPPNBHN-IAQYHMDHSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351926898 382071746 /nfs/dbraw/zinc/07/17/46/382071746.db2.gz MHZPXVABRSKQLC-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301113097 382085040 /nfs/dbraw/zinc/08/50/40/382085040.db2.gz ZXRIMWNCVOWLRU-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO CC[C@@H](NC[C@@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293361099 382093551 /nfs/dbraw/zinc/09/35/51/382093551.db2.gz HKECBIQTIXBIFR-IUODEOHRSA-N 1 0 279.384 2.833 20 5 CFBDRO CCn1cncc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417957294 382098931 /nfs/dbraw/zinc/09/89/31/382098931.db2.gz JIULZMIKSZTDCS-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000344111062 382135943 /nfs/dbraw/zinc/13/59/43/382135943.db2.gz UCUIUIJUHIIHJZ-LERXQTSPSA-N 1 0 278.352 2.744 20 5 CFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000301306936 382145002 /nfs/dbraw/zinc/14/50/02/382145002.db2.gz VIBPJLKQACXQJT-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000301458913 382171838 /nfs/dbraw/zinc/17/18/38/382171838.db2.gz ZNPRPMDWJHMGOH-YPMHNXCESA-N 1 0 295.358 2.900 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000301926338 382200772 /nfs/dbraw/zinc/20/07/72/382200772.db2.gz JGRLMUHPRQEYOW-DGCLKSJQSA-N 1 0 292.383 2.831 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CC3)C2)cs1 ZINC000362702250 382205178 /nfs/dbraw/zinc/20/51/78/382205178.db2.gz BNPSEQRZUDZMSQ-NSHDSACASA-N 1 0 252.339 2.888 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000187580438 382216665 /nfs/dbraw/zinc/21/66/65/382216665.db2.gz IELZCUVLARNKQT-HNNXBMFYSA-N 1 0 278.352 2.579 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000293789431 382279744 /nfs/dbraw/zinc/27/97/44/382279744.db2.gz CJPUAWZFRLGKLS-HNNXBMFYSA-N 1 0 290.363 2.783 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363622626 382240603 /nfs/dbraw/zinc/24/06/03/382240603.db2.gz ZCWFCEYCGZRSPP-GFCCVEGCSA-N 1 0 295.770 2.923 20 5 CFBDRO CC[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000419246302 382258573 /nfs/dbraw/zinc/25/85/73/382258573.db2.gz WCPPNLMYXKZPEY-CQSZACIVSA-N 1 0 278.352 2.984 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000293754533 382264049 /nfs/dbraw/zinc/26/40/49/382264049.db2.gz ROVCNEZAXBZGLK-LLVKDONJSA-N 1 0 266.341 2.918 20 5 CFBDRO CC[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000419274682 382266324 /nfs/dbraw/zinc/26/63/24/382266324.db2.gz CVYVYCDLDXNAES-LLVKDONJSA-N 1 0 266.341 2.845 20 5 CFBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000377642100 382308944 /nfs/dbraw/zinc/30/89/44/382308944.db2.gz AVCVNZRMHURVEK-HNNXBMFYSA-N 1 0 296.342 2.574 20 5 CFBDRO Cc1c(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187955817 382309463 /nfs/dbraw/zinc/30/94/63/382309463.db2.gz FELNTLFELRUDSY-BLLLJJGKSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H]1CCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187972478 382313657 /nfs/dbraw/zinc/31/36/57/382313657.db2.gz SSQATBMPKKVMQY-WFASDCNBSA-N 1 0 278.352 2.750 20 5 CFBDRO CC[N@H+](C)CCNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000302797508 382321909 /nfs/dbraw/zinc/32/19/09/382321909.db2.gz AQBXISBTCWZEAB-UHFFFAOYSA-N 1 0 271.748 2.920 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000357805329 382330175 /nfs/dbraw/zinc/33/01/75/382330175.db2.gz LVWKDVKVHNMTSM-LLVKDONJSA-N 1 0 297.403 2.652 20 5 CFBDRO C[NH2+]CCN(C)c1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420230433 382334936 /nfs/dbraw/zinc/33/49/36/382334936.db2.gz XRGGWNHGOIGYIJ-UHFFFAOYSA-N 1 0 291.273 2.578 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293962622 382355527 /nfs/dbraw/zinc/35/55/27/382355527.db2.gz AFMNNEQBUKBJRQ-CYBMUJFWSA-N 1 0 298.770 2.948 20 5 CFBDRO Cc1ccc(N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000364859751 382356250 /nfs/dbraw/zinc/35/62/50/382356250.db2.gz VCVYVSXWEJPLBY-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CCC(CC)(CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000304230388 382379692 /nfs/dbraw/zinc/37/96/92/382379692.db2.gz NDACHWLCDJQYCG-VQHVLOKHSA-N 1 0 278.352 2.749 20 5 CFBDRO CO[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000188294365 382385142 /nfs/dbraw/zinc/38/51/42/382385142.db2.gz JJEQBNOEEFYVQL-JAGRNKBHSA-N 1 0 290.363 2.965 20 5 CFBDRO COc1cc(C[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352544464 382389874 /nfs/dbraw/zinc/38/98/74/382389874.db2.gz AWJZUPBUEKGRBI-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO [NH3+]C[C@H](NCc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000420378141 382394644 /nfs/dbraw/zinc/39/46/44/382394644.db2.gz WUPHTCMDHXEBOW-AWEZNQCLSA-N 1 0 295.358 2.731 20 5 CFBDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000358038669 382422257 /nfs/dbraw/zinc/42/22/57/382422257.db2.gz OVSZGLBWJCPFJB-CYBMUJFWSA-N 1 0 296.367 2.754 20 5 CFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352628071 382423501 /nfs/dbraw/zinc/42/35/01/382423501.db2.gz IGDDIVBXUWGVAL-VHSXEESVSA-N 1 0 252.289 2.964 20 5 CFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000294149764 382434926 /nfs/dbraw/zinc/43/49/26/382434926.db2.gz HJOQWHSPVOZGBJ-BXUZGUMPSA-N 1 0 266.341 2.746 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352662198 382439506 /nfs/dbraw/zinc/43/95/06/382439506.db2.gz XJSCNFQLEVVXKC-GLQYFDAESA-N 1 0 278.352 2.809 20 5 CFBDRO CC(C)CC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571572 382399901 /nfs/dbraw/zinc/39/99/01/382399901.db2.gz WJSNBLNUCMONKB-HNNXBMFYSA-N 1 0 294.395 2.866 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188468176 382420532 /nfs/dbraw/zinc/42/05/32/382420532.db2.gz LUYVBYYWUZRWBL-BXUZGUMPSA-N 1 0 293.367 2.502 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000353193253 382525260 /nfs/dbraw/zinc/52/52/60/382525260.db2.gz OVIORMVDZFORGW-LVRJJXTDSA-N 1 0 290.363 2.749 20 5 CFBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358203307 382503361 /nfs/dbraw/zinc/50/33/61/382503361.db2.gz NPJQYAIEYCCQQK-AAEUAGOBSA-N 1 0 296.367 2.605 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000346784394 382509907 /nfs/dbraw/zinc/50/99/07/382509907.db2.gz AYQYTUVKTKCMQA-HZMBPMFUSA-N 1 0 298.770 2.948 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000188948317 382510698 /nfs/dbraw/zinc/51/06/98/382510698.db2.gz BIDVASCTQOQQFH-UHFFFAOYSA-N 1 0 292.379 2.923 20 5 CFBDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358288857 382550146 /nfs/dbraw/zinc/55/01/46/382550146.db2.gz BXVBBAGPVDNSGU-GFCCVEGCSA-N 1 0 278.352 2.798 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000294962857 382554227 /nfs/dbraw/zinc/55/42/27/382554227.db2.gz JKKGZQVIOGKWJQ-ZWNOBZJWSA-N 1 0 266.341 2.795 20 5 CFBDRO COCCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000358317918 382566157 /nfs/dbraw/zinc/56/61/57/382566157.db2.gz BBJFNYRYHGRRIO-NSHDSACASA-N 1 0 266.341 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000367453475 382569804 /nfs/dbraw/zinc/56/98/04/382569804.db2.gz ZIJKTCVBLRKWLV-UHFFFAOYSA-N 1 0 291.307 2.879 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1F ZINC000367452863 382570082 /nfs/dbraw/zinc/57/00/82/382570082.db2.gz WSPPDJCTRMZDPP-OAHLLOKOSA-N 1 0 294.326 2.736 20 5 CFBDRO C[C@H](C[C@H](C)[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000320303572 382537524 /nfs/dbraw/zinc/53/75/24/382537524.db2.gz JFQQQZNTKHDBNS-NKWVEPMBSA-N 1 0 292.261 2.546 20 5 CFBDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189320566 382591251 /nfs/dbraw/zinc/59/12/51/382591251.db2.gz UKXYLMFZIHRZFQ-CQDKDKBSSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000189327911 382592644 /nfs/dbraw/zinc/59/26/44/382592644.db2.gz OVOFXXMZQZAPDG-AVGNSLFASA-N 1 0 278.352 2.715 20 5 CFBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388200478 382603279 /nfs/dbraw/zinc/60/32/79/382603279.db2.gz AIHPPXVZSIRHIU-ABAIWWIYSA-N 1 0 278.352 2.806 20 5 CFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000397637617 382633665 /nfs/dbraw/zinc/63/36/65/382633665.db2.gz WREDTAJTNDBZSW-BXUZGUMPSA-N 1 0 278.352 2.998 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000353749347 382624971 /nfs/dbraw/zinc/62/49/71/382624971.db2.gz FPZZVXDOQITPLK-MRXNPFEDSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192888646 382713325 /nfs/dbraw/zinc/71/33/25/382713325.db2.gz XFAPDTPVBWSMSK-MQIPJXDCSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCO)o2)cc1 ZINC000193250187 382717524 /nfs/dbraw/zinc/71/75/24/382717524.db2.gz PHCPRDDYYYIWSV-UHFFFAOYSA-N 1 0 290.319 2.717 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193429579 382719751 /nfs/dbraw/zinc/71/97/51/382719751.db2.gz ZWXYMJNYDSDBMJ-CYBMUJFWSA-N 1 0 292.383 2.853 20 5 CFBDRO CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336830204 382725917 /nfs/dbraw/zinc/72/59/17/382725917.db2.gz FXPFZSWKXWGNNU-GJZGRUSLSA-N 1 0 278.352 2.797 20 5 CFBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336832486 382726911 /nfs/dbraw/zinc/72/69/11/382726911.db2.gz FMEDKNXCRJKKCA-CQSZACIVSA-N 1 0 283.347 2.539 20 5 CFBDRO CCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336833975 382727267 /nfs/dbraw/zinc/72/72/67/382727267.db2.gz HNLFUKCDYVNUTR-UHFFFAOYSA-N 1 0 283.347 2.508 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000336836013 382729548 /nfs/dbraw/zinc/72/95/48/382729548.db2.gz KEPLNGLJGWNQIR-CHWSQXEVSA-N 1 0 282.315 2.637 20 5 CFBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000195666929 382770740 /nfs/dbraw/zinc/77/07/40/382770740.db2.gz TXWTUPZHLIBSJH-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337249793 382785432 /nfs/dbraw/zinc/78/54/32/382785432.db2.gz MECHPIOKMDCONX-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)COC(C)C)cccc1[N+](=O)[O-] ZINC000337252892 382786439 /nfs/dbraw/zinc/78/64/39/382786439.db2.gz LJESNCSWFAIZNT-NSHDSACASA-N 1 0 266.341 2.806 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337254893 382787037 /nfs/dbraw/zinc/78/70/37/382787037.db2.gz RDOSYHWPODTROA-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO COc1cc(NCC(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000218837694 382791011 /nfs/dbraw/zinc/79/10/11/382791011.db2.gz DGIGILCBQSASBA-UHFFFAOYSA-N 1 0 299.346 2.742 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000576101176 382810091 /nfs/dbraw/zinc/81/00/91/382810091.db2.gz UAIWIGKIHBTBFM-MGPQQGTHSA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000337456970 382824297 /nfs/dbraw/zinc/82/42/97/382824297.db2.gz IIIFAQKZMVWRIZ-RISCZKNCSA-N 1 0 264.325 2.752 20 5 CFBDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000226760991 382831732 /nfs/dbraw/zinc/83/17/32/382831732.db2.gz VYTHYVVSWOARBQ-NSHDSACASA-N 1 0 264.325 2.672 20 5 CFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@H]21 ZINC000227071331 382832523 /nfs/dbraw/zinc/83/25/23/382832523.db2.gz KWOKUGMEWMGSFB-RBSFLKMASA-N 1 0 290.363 2.540 20 5 CFBDRO COc1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000227340366 382836366 /nfs/dbraw/zinc/83/63/66/382836366.db2.gz ITHHDRJLBHQRRO-ZDUSSCGKSA-N 1 0 294.351 2.652 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648035 382838956 /nfs/dbraw/zinc/83/89/56/382838956.db2.gz QQCJDLGIBDIHKT-VIFPVBQESA-N 1 0 284.747 2.539 20 5 CFBDRO Cc1c(CNCc2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000230157138 382856758 /nfs/dbraw/zinc/85/67/58/382856758.db2.gz CVNCMXWMYJBODU-UHFFFAOYSA-N 1 0 294.742 2.580 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000577585851 382863763 /nfs/dbraw/zinc/86/37/63/382863763.db2.gz CAXGSBNMOQEFIK-OAHLLOKOSA-N 1 0 290.363 2.517 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCCC2)cc1 ZINC000337801997 382866534 /nfs/dbraw/zinc/86/65/34/382866534.db2.gz IVYCZWKPUNLQMX-CQSZACIVSA-N 1 0 278.352 2.626 20 5 CFBDRO CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865752 382873676 /nfs/dbraw/zinc/87/36/76/382873676.db2.gz MNTYJYFEXRQMJQ-WFASDCNBSA-N 1 0 291.395 2.900 20 5 CFBDRO Cc1cccc(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000235935246 382890511 /nfs/dbraw/zinc/89/05/11/382890511.db2.gz YZURKNFPVPBXBS-GFCCVEGCSA-N 1 0 263.341 2.705 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000578886931 382964165 /nfs/dbraw/zinc/96/41/65/382964165.db2.gz BBFCNYRDYOLXOS-UHFFFAOYSA-N 1 0 299.758 2.917 20 5 CFBDRO Cc1nccnc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578786477 382955516 /nfs/dbraw/zinc/95/55/16/382955516.db2.gz LHMMEWUDRGBSSD-HNNXBMFYSA-N 1 0 298.346 2.513 20 5 CFBDRO CON1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000421882999 382959502 /nfs/dbraw/zinc/95/95/02/382959502.db2.gz SLPVUNLFWNBKDA-GFCCVEGCSA-N 1 0 293.367 2.580 20 5 CFBDRO CC[C@@]1(O)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495224405 382972621 /nfs/dbraw/zinc/97/26/21/382972621.db2.gz MLVAWHUOWABFCK-SMDDNHRTSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000495173005 382967939 /nfs/dbraw/zinc/96/79/39/382967939.db2.gz LLDQKTFLFMKGGR-NBVGUUKWSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(NCCN2CC=CCC2)c(Cl)c1 ZINC000338709662 383029398 /nfs/dbraw/zinc/02/93/98/383029398.db2.gz FFEROCCSAZEGAW-UHFFFAOYSA-N 1 0 281.743 2.922 20 5 CFBDRO Cc1c(CN[C@H](C)c2c[nH+]ccc2N)cccc1[N+](=O)[O-] ZINC000423068068 383039758 /nfs/dbraw/zinc/03/97/58/383039758.db2.gz ATPXOMJQOBQMPY-LLVKDONJSA-N 1 0 286.335 2.562 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000579778848 383050159 /nfs/dbraw/zinc/05/01/59/383050159.db2.gz FOCFXZIRFMOYAT-LBPRGKRZSA-N 1 0 293.342 2.717 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000423378140 383072321 /nfs/dbraw/zinc/07/23/21/383072321.db2.gz ZGHFEHMEHZUSOW-OSMZGAPFSA-N 1 0 277.368 2.552 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383267 383075900 /nfs/dbraw/zinc/07/59/00/383075900.db2.gz PLIMCSVQNRXDFF-KGYLQXTDSA-N 1 0 277.368 2.694 20 5 CFBDRO C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423041807 383026755 /nfs/dbraw/zinc/02/67/55/383026755.db2.gz JWNKZJZGYGCFOO-MFKMUULPSA-N 1 0 297.786 2.521 20 5 CFBDRO CC1(C)C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000601962139 383130124 /nfs/dbraw/zinc/13/01/24/383130124.db2.gz BOMPYADZYQZBOU-ZDUSSCGKSA-N 1 0 278.352 2.685 20 5 CFBDRO CC(C)OCCC[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339002654 383115668 /nfs/dbraw/zinc/11/56/68/383115668.db2.gz ASGZVWLAWBIODC-UHFFFAOYSA-N 1 0 282.340 2.547 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C1CC1 ZINC000449135516 383180046 /nfs/dbraw/zinc/18/00/46/383180046.db2.gz PXKZUASKAHVTAA-OLZOCXBDSA-N 1 0 291.395 2.598 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449258717 383187290 /nfs/dbraw/zinc/18/72/90/383187290.db2.gz OEIRACNYMLRAAG-RYUDHWBXSA-N 1 0 266.341 2.540 20 5 CFBDRO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000339291346 383188819 /nfs/dbraw/zinc/18/88/19/383188819.db2.gz XGULXSCKTRUFCP-JTQLQIEISA-N 1 0 272.308 2.544 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)C(C)C ZINC000518562779 383203065 /nfs/dbraw/zinc/20/30/65/383203065.db2.gz OSSMQEPUFCFPMW-LLVKDONJSA-N 1 0 281.356 2.744 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000566777075 383209332 /nfs/dbraw/zinc/20/93/32/383209332.db2.gz FMTDRIIVRJIDBB-NHYWBVRUSA-N 1 0 278.352 2.987 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567472739 383278928 /nfs/dbraw/zinc/27/89/28/383278928.db2.gz PKJSECZZQWBDTH-GCILFIKNSA-N 1 0 288.347 2.719 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248199680 383219531 /nfs/dbraw/zinc/21/95/31/383219531.db2.gz YGBGHMNDVISGNQ-GDBMZVCRSA-N 1 0 289.379 2.511 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000449346503 383230124 /nfs/dbraw/zinc/23/01/24/383230124.db2.gz ZYCNEVIAMPBQKM-RISCZKNCSA-N 1 0 280.368 2.665 20 5 CFBDRO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000249166289 383332494 /nfs/dbraw/zinc/33/24/94/383332494.db2.gz KEAXTPLSDLYFGI-ABAIWWIYSA-N 1 0 278.352 2.760 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000249453188 383346421 /nfs/dbraw/zinc/34/64/21/383346421.db2.gz CUULCRBGXPFIST-GZBFAFLISA-N 1 0 276.336 2.560 20 5 CFBDRO CC/C=C\C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449452980 383302293 /nfs/dbraw/zinc/30/22/93/383302293.db2.gz HITPXZCHPADYHZ-WAYWQWQTSA-N 1 0 280.324 2.668 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000248896597 383305159 /nfs/dbraw/zinc/30/51/59/383305159.db2.gz KVHCWRITJUNFBI-COPLHBTASA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1 ZINC000449467429 383311110 /nfs/dbraw/zinc/31/11/10/383311110.db2.gz JBBFWKPOJJWCMU-XQQFMLRXSA-N 1 0 296.392 2.782 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000567752819 383311333 /nfs/dbraw/zinc/31/13/33/383311333.db2.gz YZVWQBSQZHLHKH-MIJXAVMKSA-N 1 0 258.321 2.970 20 5 CFBDRO Cc1cnccc1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000567781585 383315994 /nfs/dbraw/zinc/31/59/94/383315994.db2.gz JUIHKENQLFHFKK-UHFFFAOYSA-N 1 0 297.358 2.899 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000249097115 383326823 /nfs/dbraw/zinc/32/68/23/383326823.db2.gz OVOFXXMZQZAPDG-YNEHKIRRSA-N 1 0 278.352 2.715 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000468606986 383362110 /nfs/dbraw/zinc/36/21/10/383362110.db2.gz ISVHVAOBTRQVJC-CYSMCQCQSA-N 1 0 290.363 2.747 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000524619785 383377039 /nfs/dbraw/zinc/37/70/39/383377039.db2.gz JGFXUHGKLXHWBE-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000568647425 383423588 /nfs/dbraw/zinc/42/35/88/383423588.db2.gz NJVDWYUWIDGWAG-TYNCELHUSA-N 1 0 289.379 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000253092356 383442991 /nfs/dbraw/zinc/44/29/91/383442991.db2.gz KVYNTQPJMTZVMY-OAGGEKHMSA-N 1 0 290.363 2.720 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[C@H]2F)n1 ZINC000340521897 383456415 /nfs/dbraw/zinc/45/64/15/383456415.db2.gz GQZXLDARYFLRLY-FVCCEPFGSA-N 1 0 296.346 2.755 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000428470458 383480170 /nfs/dbraw/zinc/48/01/70/383480170.db2.gz PENGUWFINIJYQL-CGMDNHBQSA-N 1 0 290.363 2.843 20 5 CFBDRO CC(C)C[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450878099 383531340 /nfs/dbraw/zinc/53/13/40/383531340.db2.gz IQJDSVUXRBOZBS-LBPRGKRZSA-N 1 0 280.372 2.863 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429467068 383535850 /nfs/dbraw/zinc/53/58/50/383535850.db2.gz ZOADSZZWQYIVLN-KOLCDFICSA-N 1 0 288.294 2.570 20 5 CFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000341120582 383572719 /nfs/dbraw/zinc/57/27/19/383572719.db2.gz MGPKJOKZYNGTDM-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2O)cc1[N+](=O)[O-] ZINC000570364992 383597482 /nfs/dbraw/zinc/59/74/82/383597482.db2.gz ARKPPZLUZDFNIV-LLVKDONJSA-N 1 0 287.319 2.855 20 5 CFBDRO Cc1ccnc(NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450948944 383562829 /nfs/dbraw/zinc/56/28/29/383562829.db2.gz IFQWNEQXCCCUNO-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1cnc(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450948927 383563838 /nfs/dbraw/zinc/56/38/38/383563838.db2.gz IDFXVUNZOVIRGQ-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429769401 383567275 /nfs/dbraw/zinc/56/72/75/383567275.db2.gz CPJPFXDNALULOE-XJKSGUPXSA-N 1 0 292.379 2.620 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOCC2CCC2)c1 ZINC000570869594 383642941 /nfs/dbraw/zinc/64/29/41/383642941.db2.gz REGFGIBWPIPDKL-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)cc1 ZINC000451550489 383643685 /nfs/dbraw/zinc/64/36/85/383643685.db2.gz RYBWBTXELCTDBX-DZGCQCFKSA-N 1 0 290.363 2.811 20 5 CFBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000451436546 383615411 /nfs/dbraw/zinc/61/54/11/383615411.db2.gz KKZSTBKTKQJRBU-LBPRGKRZSA-N 1 0 268.361 2.596 20 5 CFBDRO COc1ccc(OCC[N@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489415089 383616224 /nfs/dbraw/zinc/61/62/24/383616224.db2.gz PTFFPGUIEBGZIP-CQSZACIVSA-N 1 0 294.351 2.713 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000451460719 383621065 /nfs/dbraw/zinc/62/10/65/383621065.db2.gz JULILUVRNWTVCK-FZQKWOKYSA-N 1 0 294.326 2.637 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570695951 383627625 /nfs/dbraw/zinc/62/76/25/383627625.db2.gz CZZKTFHDULPWHR-DIOULYMOSA-N 1 0 290.363 2.987 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000451512438 383633031 /nfs/dbraw/zinc/63/30/31/383633031.db2.gz XPJYFSBVDWNQMQ-KBPBESRZSA-N 1 0 294.351 2.507 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN(C)C ZINC000571066312 383662927 /nfs/dbraw/zinc/66/29/27/383662927.db2.gz PXXSVTREJZGZMQ-NWDGAFQWSA-N 1 0 265.357 2.504 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645720 383674469 /nfs/dbraw/zinc/67/44/69/383674469.db2.gz FYRSTWHUABJGJY-AWEZNQCLSA-N 1 0 278.377 2.922 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCF ZINC000280966074 195048665 /nfs/dbraw/zinc/04/86/65/195048665.db2.gz IEADRMODQJKFAL-AAEUAGOBSA-N 1 0 266.316 2.865 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000436412109 383813392 /nfs/dbraw/zinc/81/33/92/383813392.db2.gz MTDVEIGRQBRYES-MWLCHTKSSA-N 1 0 280.324 2.587 20 5 CFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000436407986 383814220 /nfs/dbraw/zinc/81/42/20/383814220.db2.gz LLWXKGRJGKLNJZ-CMPLNLGQSA-N 1 0 294.351 2.890 20 5 CFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)cc1 ZINC000531143481 383824405 /nfs/dbraw/zinc/82/44/05/383824405.db2.gz AJSWNSOHKBSBTD-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@@H]12 ZINC000531342499 383853967 /nfs/dbraw/zinc/85/39/67/383853967.db2.gz IAEIXYUACFETIQ-FRRDWIJNSA-N 1 0 292.383 2.729 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000531712277 383909372 /nfs/dbraw/zinc/90/93/72/383909372.db2.gz SNCSBDRBLCGORS-DOMZBBRYSA-N 1 0 280.368 2.961 20 5 CFBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000573171121 383882671 /nfs/dbraw/zinc/88/26/71/383882671.db2.gz KDCZGHPDWZHFJC-OSAQELSMSA-N 1 0 278.352 2.683 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453632689 383892454 /nfs/dbraw/zinc/89/24/54/383892454.db2.gz PSCDFNVPWPWHJL-JSOJCCHWSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000352222228 285063772 /nfs/dbraw/zinc/06/37/72/285063772.db2.gz PXAJXHIHIIPVLV-RYUDHWBXSA-N 1 0 266.341 2.667 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccs1 ZINC000265828921 384011150 /nfs/dbraw/zinc/01/11/50/384011150.db2.gz ZUHKUWVTRVZBNH-LBPRGKRZSA-N 1 0 298.389 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000532482081 384035045 /nfs/dbraw/zinc/03/50/45/384035045.db2.gz MDSKXKCHJIGBFD-CHWSQXEVSA-N 1 0 289.379 2.791 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000574464863 384099572 /nfs/dbraw/zinc/09/95/72/384099572.db2.gz WBJPZSFVCPTWIZ-MNOVXSKESA-N 1 0 291.351 2.641 20 5 CFBDRO CC[NH+]1CCC(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000266189577 384108513 /nfs/dbraw/zinc/10/85/13/384108513.db2.gz BEWHGCCVQATGBK-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)CC1CCC1 ZINC000574703427 384135433 /nfs/dbraw/zinc/13/54/33/384135433.db2.gz MTQFNVYAORHPGQ-IUODEOHRSA-N 1 0 290.363 2.723 20 5 CFBDRO C[C@H]1C[C@@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266286688 384136874 /nfs/dbraw/zinc/13/68/74/384136874.db2.gz VTSSKDUDJUSISX-RYUDHWBXSA-N 1 0 263.341 2.514 20 5 CFBDRO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266289132 384137153 /nfs/dbraw/zinc/13/71/53/384137153.db2.gz WDFWJOUYWPZEBQ-QWRGUYRKSA-N 1 0 281.331 2.653 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)C1CCCC1 ZINC000574823710 384151723 /nfs/dbraw/zinc/15/17/23/384151723.db2.gz VUBSHHMTBTXASY-HUUCEWRRSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[NH2+]CC1 ZINC000420175000 285088301 /nfs/dbraw/zinc/08/83/01/285088301.db2.gz XTJKZSIXDPKHFG-UHFFFAOYSA-N 1 0 290.150 2.701 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072089530 285090556 /nfs/dbraw/zinc/09/05/56/285090556.db2.gz RETBRMNADMTLMH-GFCCVEGCSA-N 1 0 295.770 2.923 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000266508621 384187962 /nfs/dbraw/zinc/18/79/62/384187962.db2.gz CYNLMCCOFJSHSA-KBPBESRZSA-N 1 0 291.395 2.929 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000266534452 384193989 /nfs/dbraw/zinc/19/39/89/384193989.db2.gz NOOLADZAPDLIQG-GRYCIOLGSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000266746842 384231374 /nfs/dbraw/zinc/23/13/74/384231374.db2.gz BGMICIATTZVBKI-SDDRHHMPSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H]([NH2+]CCOC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000266634849 384211979 /nfs/dbraw/zinc/21/19/79/384211979.db2.gz SRRQFHYTUHMQNY-NSHDSACASA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277193823 384228288 /nfs/dbraw/zinc/22/82/88/384228288.db2.gz OXKCXCFJQTVLAN-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+](C)C)C1 ZINC000266738168 384229447 /nfs/dbraw/zinc/22/94/47/384229447.db2.gz MPRHUZZNQCYWDA-QWHCGFSZSA-N 1 0 277.368 2.539 20 5 CFBDRO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266990313 384275295 /nfs/dbraw/zinc/27/52/95/384275295.db2.gz AMNTYIDEYCNWBJ-DGCLKSJQSA-N 1 0 295.358 2.648 20 5 CFBDRO CC[C@@H]1CO[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084261 384295115 /nfs/dbraw/zinc/29/51/15/384295115.db2.gz YTPDSVPAUFNZJX-ZYHUDNBSSA-N 1 0 282.315 2.733 20 5 CFBDRO Cc1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000267117564 384302505 /nfs/dbraw/zinc/30/25/05/384302505.db2.gz ZNRQVMLGWRBAOJ-UHFFFAOYSA-N 1 0 275.352 2.578 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000267274326 384344296 /nfs/dbraw/zinc/34/42/96/384344296.db2.gz NGGQTMPHQRUTET-NWDGAFQWSA-N 1 0 278.356 2.583 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000123784365 285110549 /nfs/dbraw/zinc/11/05/49/285110549.db2.gz XTJKIRRPFVKZAI-CQSZACIVSA-N 1 0 290.363 2.638 20 5 CFBDRO C[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000267677471 384441466 /nfs/dbraw/zinc/44/14/66/384441466.db2.gz PWIGBPPPLNEDFT-UWVGGRQHSA-N 1 0 275.308 2.824 20 5 CFBDRO CC[N@H+](CCCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347360740 220287239 /nfs/dbraw/zinc/28/72/39/220287239.db2.gz OEILYOOKLHCFDB-JLHYYAGUSA-N 1 0 278.352 2.702 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278312229 384525496 /nfs/dbraw/zinc/52/54/96/384525496.db2.gz WXOXQUPZCDOIHX-JTQLQIEISA-N 1 0 281.312 2.979 20 5 CFBDRO C[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000363797819 220320417 /nfs/dbraw/zinc/32/04/17/220320417.db2.gz VVSLRDDKPFZIIQ-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268824142 384671169 /nfs/dbraw/zinc/67/11/69/384671169.db2.gz KRDBYMZLGAHVQL-KBPBESRZSA-N 1 0 289.379 2.824 20 5 CFBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000269676458 384831665 /nfs/dbraw/zinc/83/16/65/384831665.db2.gz WRNPSAFEDDZRCE-RISCZKNCSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000269832139 384876508 /nfs/dbraw/zinc/87/65/08/384876508.db2.gz PVPIAARJWAEZFZ-XQQFMLRXSA-N 1 0 278.352 2.891 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000269696644 384841252 /nfs/dbraw/zinc/84/12/52/384841252.db2.gz KJUBBIXTWKQZFX-MFKMUULPSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000269883789 384891446 /nfs/dbraw/zinc/89/14/46/384891446.db2.gz ATSHLDZDNHYKDN-RRFJBIMHSA-N 1 0 288.347 2.642 20 5 CFBDRO COc1ccc(OCC[N@@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000280708243 385122626 /nfs/dbraw/zinc/12/26/26/385122626.db2.gz DGAIBXOPCWOLNE-UHFFFAOYSA-N 1 0 292.335 2.634 20 5 CFBDRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270815678 385235749 /nfs/dbraw/zinc/23/57/49/385235749.db2.gz XMELAOFMIIORIT-LLVKDONJSA-N 1 0 279.340 2.654 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000282361082 385292177 /nfs/dbraw/zinc/29/21/77/385292177.db2.gz DFZTZRAGVHBOBV-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000271004045 385298500 /nfs/dbraw/zinc/29/85/00/385298500.db2.gz GQDQBLRARJSJID-JMSVASOKSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H]1CC[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)O1 ZINC000282405112 385301648 /nfs/dbraw/zinc/30/16/48/385301648.db2.gz IAYQRAZSMZNIDT-SWLSCSKDSA-N 1 0 278.352 2.637 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C2CCCC2)CC1 ZINC000247356411 285162442 /nfs/dbraw/zinc/16/24/42/285162442.db2.gz XYDXXSSMCZXKMH-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000271996989 385421824 /nfs/dbraw/zinc/42/18/24/385421824.db2.gz GLSADXXVVPSILV-CYBMUJFWSA-N 1 0 284.381 2.783 20 5 CFBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000283260391 385451651 /nfs/dbraw/zinc/45/16/51/385451651.db2.gz WBNOPHFONBQOEG-UHFFFAOYSA-N 1 0 298.314 2.507 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284109324 385536540 /nfs/dbraw/zinc/53/65/40/385536540.db2.gz OSPBVWQTHPHMBE-QPUJVOFHSA-N 1 0 281.381 2.722 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccnc1 ZINC000284146961 385541640 /nfs/dbraw/zinc/54/16/40/385541640.db2.gz PBMNXTMONIMPFM-QWRGUYRKSA-N 1 0 286.335 2.984 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000285049896 385551405 /nfs/dbraw/zinc/55/14/05/385551405.db2.gz IVCMMSCHQTWBEJ-SCVCMEIPSA-N 1 0 266.366 2.997 20 5 CFBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286137167 385563087 /nfs/dbraw/zinc/56/30/87/385563087.db2.gz MYJAYPRMXKIYOL-DFBGVHRSSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000286194195 385570415 /nfs/dbraw/zinc/57/04/15/385570415.db2.gz RATGJKMXRCVKMN-UHFFFAOYSA-N 1 0 291.351 2.694 20 5 CFBDRO CN(c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286483088 385631579 /nfs/dbraw/zinc/63/15/79/385631579.db2.gz VCNUFTHRUCYAGE-FUNVUKJBSA-N 1 0 275.352 2.656 20 5 CFBDRO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272763368 385608109 /nfs/dbraw/zinc/60/81/09/385608109.db2.gz GEIKVFKHZQJLND-SECBINFHSA-N 1 0 296.758 2.706 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@](F)(CO)C1 ZINC000286730790 385697216 /nfs/dbraw/zinc/69/72/16/385697216.db2.gz CXSCVQQAHCZOKY-DOMZBBRYSA-N 1 0 296.342 2.761 20 5 CFBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286741863 385699879 /nfs/dbraw/zinc/69/98/79/385699879.db2.gz CFQXYVOQBGUEHK-SNVBAGLBSA-N 1 0 286.759 2.841 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OCCC[NH+]1CCCCC1 ZINC000288610374 197127227 /nfs/dbraw/zinc/12/72/27/197127227.db2.gz NKMSEGWCGBGUHA-UHFFFAOYSA-N 1 0 294.351 2.858 20 5 CFBDRO COc1ccc(C[NH2+]C2CC(OC(C)C)C2)cc1[N+](=O)[O-] ZINC000274623651 385836722 /nfs/dbraw/zinc/83/67/22/385836722.db2.gz XISJBBHSXGXPDG-UHFFFAOYSA-N 1 0 294.351 2.649 20 5 CFBDRO CC[C@]1(CO)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275174031 385951026 /nfs/dbraw/zinc/95/10/26/385951026.db2.gz VGGSVIYYTHXGRB-HNNXBMFYSA-N 1 0 296.342 2.718 20 5 CFBDRO CCOc1cc(CN2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276944910 386086282 /nfs/dbraw/zinc/08/62/82/386086282.db2.gz STEQEBCFGZFDFH-NWDGAFQWSA-N 1 0 294.351 2.603 20 5 CFBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCCO1 ZINC000281357574 195210503 /nfs/dbraw/zinc/21/05/03/195210503.db2.gz KZVHKYMNMPSGJZ-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000287116178 196783758 /nfs/dbraw/zinc/78/37/58/196783758.db2.gz XAKNHCVMCXZAOI-BBRMVZONSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000287107692 196781801 /nfs/dbraw/zinc/78/18/01/196781801.db2.gz WOSRIGHPMYXGEG-CZUORRHYSA-N 1 0 289.379 2.653 20 5 CFBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000094774957 184860775 /nfs/dbraw/zinc/86/07/75/184860775.db2.gz FOEJQKQTQCQUAU-UWVGGRQHSA-N 1 0 252.289 2.822 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449713967 533410444 /nfs/dbraw/zinc/41/04/44/533410444.db2.gz ZLBJVTSDZSUZNU-MVGYBYKRSA-N 1 0 290.363 2.749 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCc2cnccn2)cccc1[N+](=O)[O-] ZINC000341879788 130105285 /nfs/dbraw/zinc/10/52/85/130105285.db2.gz OWUPVXLGBZEJEG-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO CC[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000342099201 130259393 /nfs/dbraw/zinc/25/93/93/130259393.db2.gz SZQOPHCHRZOOLW-UHFFFAOYSA-N 1 0 269.320 2.876 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000342186042 130321656 /nfs/dbraw/zinc/32/16/56/130321656.db2.gz CZKRRKIDLSDUQT-QWRGUYRKSA-N 1 0 256.252 2.646 20 5 CFBDRO COc1ccc(C[N@@H+]2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000192173302 130387210 /nfs/dbraw/zinc/38/72/10/130387210.db2.gz POEJUHSIIDSHEO-LLVKDONJSA-N 1 0 296.392 2.931 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)c(Cl)c1 ZINC000342227713 130398988 /nfs/dbraw/zinc/39/89/88/130398988.db2.gz KVHQGODXOHGIFD-PSASIEDQSA-N 1 0 276.670 2.991 20 5 CFBDRO COCCC(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000230865432 130908687 /nfs/dbraw/zinc/90/86/87/130908687.db2.gz FYVBWLMPNIBOPH-UHFFFAOYSA-N 1 0 296.367 2.756 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000246827941 131098462 /nfs/dbraw/zinc/09/84/62/131098462.db2.gz BPGWBCYAJZMVMH-CORIIIEPSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261651439 131159663 /nfs/dbraw/zinc/15/96/63/131159663.db2.gz JSOBXIDFJCEGOI-YPMHNXCESA-N 1 0 291.351 2.749 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261661303 131160594 /nfs/dbraw/zinc/16/05/94/131160594.db2.gz KNUIXAYJCXIJHG-YPMHNXCESA-N 1 0 291.351 2.749 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000266746839 131772196 /nfs/dbraw/zinc/77/21/96/131772196.db2.gz BGMICIATTZVBKI-GRYCIOLGSA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1noc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000266822875 131783019 /nfs/dbraw/zinc/78/30/19/131783019.db2.gz ZVHQPEYVYXFUCG-JTQLQIEISA-N 1 0 290.323 2.570 20 5 CFBDRO Cc1nc(NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268455235 132012349 /nfs/dbraw/zinc/01/23/49/132012349.db2.gz GPVYLCUBLQSLHQ-NSHDSACASA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000268826722 132072978 /nfs/dbraw/zinc/07/29/78/132072978.db2.gz JITKNCKTWIGBPE-NEPJUHHUSA-N 1 0 264.325 2.590 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000269134573 132118928 /nfs/dbraw/zinc/11/89/28/132118928.db2.gz PCAFIPUUGWFIAR-STQMWFEESA-N 1 0 295.408 2.572 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000301474135 393472704 /nfs/dbraw/zinc/47/27/04/393472704.db2.gz VKDMSBDQHSJZAA-CYBMUJFWSA-N 1 0 277.368 2.905 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccccc2)cs1 ZINC000037562483 393531927 /nfs/dbraw/zinc/53/19/27/393531927.db2.gz JNQDRYMMAGNZDK-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO CC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000046438262 393578190 /nfs/dbraw/zinc/57/81/90/393578190.db2.gz YBVKROSJTSIKPM-UHFFFAOYSA-N 1 0 285.731 2.529 20 5 CFBDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191822047 393608313 /nfs/dbraw/zinc/60/83/13/393608313.db2.gz HNKXJUFOIRQDRC-NSHDSACASA-N 1 0 266.366 2.922 20 5 CFBDRO CC[C@H]([NH2+]CC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190643310 393582223 /nfs/dbraw/zinc/58/22/23/393582223.db2.gz AJTRZVURPWPLKW-AWEZNQCLSA-N 1 0 294.351 2.789 20 5 CFBDRO C[N@@H+]1CC[C@H](CSc2ccc([N+](=O)[O-])cc2F)C1 ZINC000193512447 393654323 /nfs/dbraw/zinc/65/43/23/393654323.db2.gz FKBCOAQQQSXJFK-VIFPVBQESA-N 1 0 270.329 2.778 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000091957382 393785454 /nfs/dbraw/zinc/78/54/54/393785454.db2.gz UVKVZUSXEAUBKQ-BFHYXJOUSA-N 1 0 289.379 2.872 20 5 CFBDRO C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccnc1 ZINC000339081937 393816437 /nfs/dbraw/zinc/81/64/37/393816437.db2.gz OGFKCAKWKYYNAY-JTQLQIEISA-N 1 0 273.292 2.546 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000424328736 393831159 /nfs/dbraw/zinc/83/11/59/393831159.db2.gz OHVUWJKKQIMLBC-NQBHXWOUSA-N 1 0 296.392 2.578 20 5 CFBDRO CC(C)C[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459520443 393883299 /nfs/dbraw/zinc/88/32/99/393883299.db2.gz YGUJLRJYDAWBLY-ZDUSSCGKSA-N 1 0 292.383 2.546 20 5 CFBDRO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000247997099 393904545 /nfs/dbraw/zinc/90/45/45/393904545.db2.gz JYFUTTHYBDWKDK-MZPVMMEZSA-N 1 0 298.342 2.904 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352662199 394017409 /nfs/dbraw/zinc/01/74/09/394017409.db2.gz XJSCNFQLEVVXKC-TUKIKUTGSA-N 1 0 278.352 2.809 20 5 CFBDRO CN(Cc1csc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000418137369 394019275 /nfs/dbraw/zinc/01/92/75/394019275.db2.gz BMNJDGFQQOVJKC-UHFFFAOYSA-N 1 0 297.424 2.963 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417391179 393955147 /nfs/dbraw/zinc/95/51/47/393955147.db2.gz RGGLGZKRQLIPCC-PWSUYJOCSA-N 1 0 299.321 2.585 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000430218024 393969954 /nfs/dbraw/zinc/96/99/54/393969954.db2.gz KWIPYBZFBZFOBT-WCQYABFASA-N 1 0 294.351 2.508 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000430236068 393971405 /nfs/dbraw/zinc/97/14/05/393971405.db2.gz MTKYATFLEABBMK-HNNXBMFYSA-N 1 0 294.351 2.604 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC1(C)C ZINC000430245333 393972237 /nfs/dbraw/zinc/97/22/37/393972237.db2.gz RUVFIEMOOFHFKL-ZDUSSCGKSA-N 1 0 264.325 2.834 20 5 CFBDRO CC[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125168338 394002886 /nfs/dbraw/zinc/00/28/86/394002886.db2.gz USXWRMREPUJJOR-GFCCVEGCSA-N 1 0 294.351 2.714 20 5 CFBDRO CC(C)(O)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000275040461 394045568 /nfs/dbraw/zinc/04/55/68/394045568.db2.gz GMDKLWSUHYFFMV-UHFFFAOYSA-N 1 0 298.770 2.984 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275833095 394047595 /nfs/dbraw/zinc/04/75/95/394047595.db2.gz MIBGABZQDBNOPJ-CQSZACIVSA-N 1 0 298.770 2.985 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@H]1CCOC1)C1CC1 ZINC000437575200 394060054 /nfs/dbraw/zinc/06/00/54/394060054.db2.gz HKUCSZNMQJFQGP-ZDUSSCGKSA-N 1 0 290.363 2.986 20 5 CFBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000358294722 394102488 /nfs/dbraw/zinc/10/24/88/394102488.db2.gz ZHAGOGHZPAETHS-UHFFFAOYSA-N 1 0 294.351 2.725 20 5 CFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357900629 394093187 /nfs/dbraw/zinc/09/31/87/394093187.db2.gz CRJXPRSSYJEPQU-QWHCGFSZSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000281996807 394108403 /nfs/dbraw/zinc/10/84/03/394108403.db2.gz INTFJIDULPABSU-ZWNOBZJWSA-N 1 0 291.351 2.620 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000420273671 394112100 /nfs/dbraw/zinc/11/21/00/394112100.db2.gz FBPCDZBOIATGLS-WPRPVWTQSA-N 1 0 284.747 2.573 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420276374 394114013 /nfs/dbraw/zinc/11/40/13/394114013.db2.gz HIPZSDVFOFUUIQ-UWVGGRQHSA-N 1 0 267.304 2.663 20 5 CFBDRO COCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000282036616 394114656 /nfs/dbraw/zinc/11/46/56/394114656.db2.gz OOBJAXQMNQSUGS-UHFFFAOYSA-N 1 0 278.352 2.810 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420279572 394114965 /nfs/dbraw/zinc/11/49/65/394114965.db2.gz KFDNLEFJNKOTKI-YPMHNXCESA-N 1 0 293.367 2.671 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@]1([NH+](C)C)CCSC1 ZINC000359014002 394120403 /nfs/dbraw/zinc/12/04/03/394120403.db2.gz KIKLJJAACSSMRS-CQSZACIVSA-N 1 0 295.408 2.752 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286434989 394197018 /nfs/dbraw/zinc/19/70/18/394197018.db2.gz SDANVJYKPBWIPK-DOMZBBRYSA-N 1 0 275.352 2.658 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCOCC1 ZINC000449115676 394218310 /nfs/dbraw/zinc/21/83/10/394218310.db2.gz MRIYQUXYMPULIS-LBPRGKRZSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449159976 394234752 /nfs/dbraw/zinc/23/47/52/394234752.db2.gz KCMKDJXSOGGGCY-XPKDYRNWSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187462 394246301 /nfs/dbraw/zinc/24/63/01/394246301.db2.gz DIDNJVKZLGKFNV-STQMWFEESA-N 1 0 280.368 2.524 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148483177 394248217 /nfs/dbraw/zinc/24/82/17/394248217.db2.gz QCZVABXNSHSBIE-SNVBAGLBSA-N 1 0 298.774 2.785 20 5 CFBDRO CCOc1cccc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292911322 394278427 /nfs/dbraw/zinc/27/84/27/394278427.db2.gz XMBVIGVFTBELRF-TXEJJXNPSA-N 1 0 293.367 2.522 20 5 CFBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630793 394282008 /nfs/dbraw/zinc/28/20/08/394282008.db2.gz JEIYXTKIYBFMQV-GJZGRUSLSA-N 1 0 290.363 2.984 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOC1 ZINC000153479377 394284814 /nfs/dbraw/zinc/28/48/14/394284814.db2.gz ZXEGDQBCSLKIGT-JSGCOSHPSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000166274510 394369842 /nfs/dbraw/zinc/36/98/42/394369842.db2.gz DGDOPIIGZJVSSU-CVEARBPZSA-N 1 0 291.395 2.976 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC=CCC1 ZINC000530423598 394516116 /nfs/dbraw/zinc/51/61/16/394516116.db2.gz JNRUKSXXCPPDAJ-CQSZACIVSA-N 1 0 289.379 2.816 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000538341399 394602409 /nfs/dbraw/zinc/60/24/09/394602409.db2.gz VWKHWTBAYVJXNQ-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000540036190 394641546 /nfs/dbraw/zinc/64/15/46/394641546.db2.gz CIVIMQWFNDDKGY-RISCZKNCSA-N 1 0 275.352 2.798 20 5 CFBDRO C[C@@H]([NH2+]C(C)(C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000545292309 394788338 /nfs/dbraw/zinc/78/83/38/394788338.db2.gz GMXWPKFQXXDSPI-LLVKDONJSA-N 1 0 288.351 2.914 20 5 CFBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000548160129 394915987 /nfs/dbraw/zinc/91/59/87/394915987.db2.gz WAOQJBRENWIDGY-NEPJUHHUSA-N 1 0 280.372 2.777 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(O)CCC1 ZINC000556112978 394991068 /nfs/dbraw/zinc/99/10/68/394991068.db2.gz JGXSDGZYWWTJGW-LBPRGKRZSA-N 1 0 278.352 2.859 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](OC(F)F)C2)c(F)c1 ZINC000558866113 395078198 /nfs/dbraw/zinc/07/81/98/395078198.db2.gz PAPNVDWVPCEMRW-JTQLQIEISA-N 1 0 290.241 2.547 20 5 CFBDRO O=[N+]([O-])c1ccsc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301943169 296518845 /nfs/dbraw/zinc/51/88/45/296518845.db2.gz YDZGTSAJTFEGEA-NSHDSACASA-N 1 0 281.381 2.721 20 5 CFBDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000348114727 154326622 /nfs/dbraw/zinc/32/66/22/154326622.db2.gz UKECLLXAVDDGLB-GWCFXTLKSA-N 1 0 264.325 2.882 20 5 CFBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000348134165 154334560 /nfs/dbraw/zinc/33/45/60/154334560.db2.gz FSWXVBBCASGQFF-DGCLKSJQSA-N 1 0 294.351 2.508 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348155751 154343053 /nfs/dbraw/zinc/34/30/53/154343053.db2.gz ZCKGOJKHIXSERJ-GXFFZTMASA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348268272 154388813 /nfs/dbraw/zinc/38/88/13/154388813.db2.gz DNVKUXCCOZYXJX-SWPVVBRQSA-N 1 0 256.252 2.899 20 5 CFBDRO C[C@@H](C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000355540943 155036325 /nfs/dbraw/zinc/03/63/25/155036325.db2.gz HOJICCIWVMVBIO-LBPRGKRZSA-N 1 0 288.351 2.564 20 5 CFBDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000355729495 155067594 /nfs/dbraw/zinc/06/75/94/155067594.db2.gz LNOFTEDTKYHKGA-ZDUSSCGKSA-N 1 0 280.368 2.872 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367053300 156273389 /nfs/dbraw/zinc/27/33/89/156273389.db2.gz FAPZKVIJLALJGQ-OAHLLOKOSA-N 1 0 276.336 2.597 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cs1 ZINC000367447027 156333863 /nfs/dbraw/zinc/33/38/63/156333863.db2.gz IRJXFPHKOLDXDR-ZDUSSCGKSA-N 1 0 282.365 2.659 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000373772709 157028701 /nfs/dbraw/zinc/02/87/01/157028701.db2.gz RGQJDJHUMJEFEN-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000374641243 157142607 /nfs/dbraw/zinc/14/26/07/157142607.db2.gz FTHIYISJLHZYQJ-STQMWFEESA-N 1 0 282.365 2.704 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000374863217 157166346 /nfs/dbraw/zinc/16/63/46/157166346.db2.gz NTAYTYFHJWZEIP-CHWSQXEVSA-N 1 0 294.326 2.592 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000375144676 157201513 /nfs/dbraw/zinc/20/15/13/157201513.db2.gz UEBNOIOJICYCLU-HOTGVXAUSA-N 1 0 290.363 2.890 20 5 CFBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344720907 162107208 /nfs/dbraw/zinc/10/72/08/162107208.db2.gz XQIZOUXDYQYIMU-UHFFFAOYSA-N 1 0 294.351 2.806 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C(C)C ZINC000344790472 162122376 /nfs/dbraw/zinc/12/23/76/162122376.db2.gz JCTIJBVGQNQNSX-CUXKMMBLSA-N 1 0 278.352 2.605 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC1 ZINC000344819617 162128310 /nfs/dbraw/zinc/12/83/10/162128310.db2.gz GRMNQMRUKBZGBS-VDBIKXPHSA-N 1 0 276.336 2.624 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCC1 ZINC000344843221 162133352 /nfs/dbraw/zinc/13/33/52/162133352.db2.gz FNBIKSMMHJHFHW-WQLSENKSSA-N 1 0 276.336 2.503 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(O)CC1 ZINC000344866589 162138501 /nfs/dbraw/zinc/13/85/01/162138501.db2.gz UNYMJPXOXOXEIL-FMIVXFBMSA-N 1 0 290.363 2.891 20 5 CFBDRO CCC[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000346293809 162373525 /nfs/dbraw/zinc/37/35/25/162373525.db2.gz JQEYFCLTADNMPS-UHFFFAOYSA-N 1 0 252.314 2.706 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(O)cc(F)c2)c1 ZINC000349664818 163001279 /nfs/dbraw/zinc/00/12/79/163001279.db2.gz HYBPJSYTOHLKNT-UHFFFAOYSA-N 1 0 290.294 2.772 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350037290 163052563 /nfs/dbraw/zinc/05/25/63/163052563.db2.gz NALWLVDGGAWQRO-UKRRQHHQSA-N 1 0 278.352 2.808 20 5 CFBDRO COCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350052123 163054178 /nfs/dbraw/zinc/05/41/78/163054178.db2.gz WPYIPVXXNBZXKL-UHFFFAOYSA-N 1 0 266.341 2.808 20 5 CFBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000350087134 163056950 /nfs/dbraw/zinc/05/69/50/163056950.db2.gz DIRCVMOTVCOBQP-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000350355170 163074096 /nfs/dbraw/zinc/07/40/96/163074096.db2.gz MXTLEOBICDNQNR-JSGCOSHPSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCO[C@H]1C ZINC000350390687 163075911 /nfs/dbraw/zinc/07/59/11/163075911.db2.gz KQWYBGOHTUXBPW-SMDDNHRTSA-N 1 0 264.325 2.560 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ncc(C)cc1[N+](=O)[O-] ZINC000350701132 163098662 /nfs/dbraw/zinc/09/86/62/163098662.db2.gz MFCMIXPPPKVUDJ-UHFFFAOYSA-N 1 0 294.399 2.856 20 5 CFBDRO C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603404 163155854 /nfs/dbraw/zinc/15/58/54/163155854.db2.gz LEPBWBFKIYTFOM-DUMNWFOQSA-N 1 0 273.292 2.947 20 5 CFBDRO CCOc1cc(C[NH2+][C@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352816341 163241148 /nfs/dbraw/zinc/24/11/48/163241148.db2.gz OTMFHGBDFRNUAQ-JQWIXIFHSA-N 1 0 296.392 2.835 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000352819704 163243164 /nfs/dbraw/zinc/24/31/64/163243164.db2.gz XOOUCNLJQIQQNL-HNNXBMFYSA-N 1 0 294.351 2.652 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000353116535 163309693 /nfs/dbraw/zinc/30/96/93/163309693.db2.gz GWEDLUQXNYRIIW-GXFFZTMASA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000007378281 170280958 /nfs/dbraw/zinc/28/09/58/170280958.db2.gz JENRSFQRQQESIK-LBPRGKRZSA-N 1 0 291.351 2.798 20 5 CFBDRO O=C(C[NH+]1CCCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000007486839 170286949 /nfs/dbraw/zinc/28/69/49/170286949.db2.gz MKTNUDIHQASGGU-UHFFFAOYSA-N 1 0 291.351 2.799 20 5 CFBDRO C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])CCCCC1 ZINC000008063220 170317049 /nfs/dbraw/zinc/31/70/49/170317049.db2.gz VMNKRVADVFXFHE-UHFFFAOYSA-N 1 0 278.356 2.666 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1(O)CCC1)CCC2 ZINC000284480849 196064904 /nfs/dbraw/zinc/06/49/04/196064904.db2.gz WKPFOTQHKGDCFM-OAHLLOKOSA-N 1 0 290.363 2.867 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC2)cc1[N+](=O)[O-] ZINC000020127070 171012061 /nfs/dbraw/zinc/01/20/61/171012061.db2.gz XBLCGGWEBLMPEQ-CYBMUJFWSA-N 1 0 277.368 2.650 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000020523391 171235809 /nfs/dbraw/zinc/23/58/09/171235809.db2.gz RZDCTGBTDXBWRN-JTQLQIEISA-N 1 0 252.314 2.738 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000020526018 171238940 /nfs/dbraw/zinc/23/89/40/171238940.db2.gz AGUSXWKGMCYRLG-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO COc1ccc(C[NH2+]CCc2cccs2)cc1[N+](=O)[O-] ZINC000020560908 171252027 /nfs/dbraw/zinc/25/20/27/171252027.db2.gz DITZAURYOCGPEZ-UHFFFAOYSA-N 1 0 292.360 2.997 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035273843 172094513 /nfs/dbraw/zinc/09/45/13/172094513.db2.gz WJLHNNNHSXPZBB-RISCZKNCSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000035368236 172159846 /nfs/dbraw/zinc/15/98/46/172159846.db2.gz WZLWOLBETXKNLQ-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000035414744 172188403 /nfs/dbraw/zinc/18/84/03/172188403.db2.gz ABUXBNOUKDGJJT-UHFFFAOYSA-N 1 0 260.240 2.696 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285281464 196240545 /nfs/dbraw/zinc/24/05/45/196240545.db2.gz RGWWXFHCEMXUAZ-QWRGUYRKSA-N 1 0 293.367 2.643 20 5 CFBDRO C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285391671 196270076 /nfs/dbraw/zinc/27/00/76/196270076.db2.gz WTQVWTZLLLEZGH-QMTHXVAHSA-N 1 0 295.383 2.625 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000285432327 196282268 /nfs/dbraw/zinc/28/22/68/196282268.db2.gz YQEYUMRMVHTTBG-SECBINFHSA-N 1 0 294.742 2.865 20 5 CFBDRO CCC[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000285493796 196304079 /nfs/dbraw/zinc/30/40/79/196304079.db2.gz IVEHMPKQTKHJJX-LBPRGKRZSA-N 1 0 270.354 2.705 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000037267023 173077878 /nfs/dbraw/zinc/07/78/78/173077878.db2.gz FCLNCTAKVPKOCY-LBPRGKRZSA-N 1 0 277.368 2.648 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000037401090 173178122 /nfs/dbraw/zinc/17/81/22/173178122.db2.gz XSQNJFBNIXWVQX-GFCCVEGCSA-N 1 0 263.341 2.799 20 5 CFBDRO COC(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037415846 173192133 /nfs/dbraw/zinc/19/21/33/173192133.db2.gz IFAUQQIUJXNRHX-LLVKDONJSA-N 1 0 280.324 2.507 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000037420749 173197795 /nfs/dbraw/zinc/19/77/95/173197795.db2.gz GYUKHKHTRYYTFF-SNVBAGLBSA-N 1 0 267.304 2.630 20 5 CFBDRO CC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000037495426 173234815 /nfs/dbraw/zinc/23/48/15/173234815.db2.gz QAZUGERZHDYEKZ-LBPRGKRZSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)[NH+](C)C ZINC000038089194 174102199 /nfs/dbraw/zinc/10/21/99/174102199.db2.gz XDKBHHVIWXOPOT-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000038089160 174102610 /nfs/dbraw/zinc/10/26/10/174102610.db2.gz VJXIYBDMEJFFKN-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000040624177 174356308 /nfs/dbraw/zinc/35/63/08/174356308.db2.gz DHUQHZSUOQOMBY-NSHDSACASA-N 1 0 281.331 2.876 20 5 CFBDRO Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000043588088 175072744 /nfs/dbraw/zinc/07/27/44/175072744.db2.gz WXEQQXLWVZPYHD-GFCCVEGCSA-N 1 0 291.351 2.622 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588694 175072989 /nfs/dbraw/zinc/07/29/89/175072989.db2.gz CJSMQNPDYYUMFR-GFCCVEGCSA-N 1 0 291.351 2.622 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000044417337 175173347 /nfs/dbraw/zinc/17/33/47/175173347.db2.gz ISQFFSSQPUYGEM-GFCCVEGCSA-N 1 0 261.325 2.552 20 5 CFBDRO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044690759 175233168 /nfs/dbraw/zinc/23/31/68/175233168.db2.gz VZLZGYNJDZPEEY-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044690441 175233417 /nfs/dbraw/zinc/23/34/17/175233417.db2.gz LEODKUWDNQVTEJ-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)C(C)C ZINC000054128479 175554235 /nfs/dbraw/zinc/55/42/35/175554235.db2.gz DTFIHBQKJCSQGN-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000077204451 177233091 /nfs/dbraw/zinc/23/30/91/177233091.db2.gz YXIUELKDUFTAJW-DZGCQCFKSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152923144 289857783 /nfs/dbraw/zinc/85/77/83/289857783.db2.gz OEXAEKFQDHIMPD-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313154987 260253848 /nfs/dbraw/zinc/25/38/48/260253848.db2.gz NBGVKAJFCJMQAU-OCCSQVGLSA-N 1 0 266.341 2.542 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313320261 260283415 /nfs/dbraw/zinc/28/34/15/260283415.db2.gz IXTQAURNQIFJIV-QGZVFWFLSA-N 1 0 297.358 2.741 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000313333424 260285377 /nfs/dbraw/zinc/28/53/77/260285377.db2.gz WAYJYKVSKYQRHL-QGZVFWFLSA-N 1 0 297.358 2.741 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000222589422 270255354 /nfs/dbraw/zinc/25/53/54/270255354.db2.gz DRJDXHPKPMEZPV-NEPJUHHUSA-N 1 0 266.341 2.654 20 5 CFBDRO CCOc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094195455 265223194 /nfs/dbraw/zinc/22/31/94/265223194.db2.gz PAWSHNMACBBQQI-YPMHNXCESA-N 1 0 293.367 2.888 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000514644531 266025702 /nfs/dbraw/zinc/02/57/02/266025702.db2.gz OGOQOMSAJFVIEY-STQMWFEESA-N 1 0 276.336 2.978 20 5 CFBDRO CCC(CC)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192698518 270233722 /nfs/dbraw/zinc/23/37/22/270233722.db2.gz ZVYDUSWKGABDIR-JTQLQIEISA-N 1 0 279.340 2.700 20 5 CFBDRO Cc1occc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000320981471 270294754 /nfs/dbraw/zinc/29/47/54/270294754.db2.gz HFGASPLLRQWFCO-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO CC[C@@H]([NH2+]CCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395943984 270314460 /nfs/dbraw/zinc/31/44/60/270314460.db2.gz LGJXCMRWURAOCZ-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531728558 270840408 /nfs/dbraw/zinc/84/04/08/270840408.db2.gz MTJXPGQQPRDCOQ-OCCSQVGLSA-N 1 0 291.395 2.896 20 5 CFBDRO CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539095 273498112 /nfs/dbraw/zinc/49/81/12/273498112.db2.gz FLSNACQSAMWLEO-VXGBXAGGSA-N 1 0 280.372 2.911 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000265524112 273642105 /nfs/dbraw/zinc/64/21/05/273642105.db2.gz MMGXDLNKTDZGLB-SECBINFHSA-N 1 0 286.763 2.785 20 5 CFBDRO CC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000421882974 273724856 /nfs/dbraw/zinc/72/48/56/273724856.db2.gz SISOJVVMUJKZNJ-BXUZGUMPSA-N 1 0 278.352 2.678 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279360354 273806712 /nfs/dbraw/zinc/80/67/12/273806712.db2.gz KGYMAFBARFCOFV-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888136 274208657 /nfs/dbraw/zinc/20/86/57/274208657.db2.gz YKDGFCAOSWSNDR-BLLLJJGKSA-N 1 0 291.395 2.902 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000417317412 274225675 /nfs/dbraw/zinc/22/56/75/274225675.db2.gz WPWRMPUDDBTMQK-LRDDRELGSA-N 1 0 291.395 2.902 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277341834 274606207 /nfs/dbraw/zinc/60/62/07/274606207.db2.gz FLTBRURNUAISSN-CABZTGNLSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](C2CC2)CC1 ZINC000153553074 275033582 /nfs/dbraw/zinc/03/35/82/275033582.db2.gz HIJQPBBNLDJXJV-UHFFFAOYSA-N 1 0 296.758 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000072089527 275036773 /nfs/dbraw/zinc/03/67/73/275036773.db2.gz PBXSRTLDUCIBCC-LBPRGKRZSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCOC1)CCCC2 ZINC000417347646 275038275 /nfs/dbraw/zinc/03/82/75/275038275.db2.gz XRDFZYAWCXWDCS-BLLLJJGKSA-N 1 0 290.363 2.988 20 5 CFBDRO CC(C)c1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347036453 276052609 /nfs/dbraw/zinc/05/26/09/276052609.db2.gz GXXZHOFNYBHPHP-AWEZNQCLSA-N 1 0 291.395 2.889 20 5 CFBDRO CC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)COC1 ZINC000343942324 276166758 /nfs/dbraw/zinc/16/67/58/276166758.db2.gz ZZBJRIIUMMFMGR-UHFFFAOYSA-N 1 0 276.336 2.596 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)CO ZINC000271129527 276573625 /nfs/dbraw/zinc/57/36/25/276573625.db2.gz LNNHVORIHZTTAX-NWDGAFQWSA-N 1 0 298.408 2.826 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000364302346 277147134 /nfs/dbraw/zinc/14/71/34/277147134.db2.gz IKBVQKKDACGSPH-YGRLFVJLSA-N 1 0 295.770 2.779 20 5 CFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000282337877 277241298 /nfs/dbraw/zinc/24/12/98/277241298.db2.gz VDEPNGCHTRARQR-ZBFHGGJFSA-N 1 0 292.379 2.932 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192796058 277544852 /nfs/dbraw/zinc/54/48/52/277544852.db2.gz YKHARJLTMKYDSY-ABAIWWIYSA-N 1 0 278.352 2.987 20 5 CFBDRO COC[C@@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192739689 277560648 /nfs/dbraw/zinc/56/06/48/277560648.db2.gz IAMYWCACZOVLIK-NHYWBVRUSA-N 1 0 278.352 2.844 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000253178057 277627064 /nfs/dbraw/zinc/62/70/64/277627064.db2.gz BORMVMGMEXSSMR-WOPDTQHZSA-N 1 0 264.325 2.670 20 5 CFBDRO CO[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000340769419 277658765 /nfs/dbraw/zinc/65/87/65/277658765.db2.gz CCKQPZMXMHEPAU-GFCCVEGCSA-N 1 0 287.319 2.677 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279199490 277711544 /nfs/dbraw/zinc/71/15/44/277711544.db2.gz XDZRVWGPZLJLNQ-YGRLFVJLSA-N 1 0 278.352 2.942 20 5 CFBDRO CC(C)c1ccc(CN2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000346091863 278035728 /nfs/dbraw/zinc/03/57/28/278035728.db2.gz LZCJORITSGZJED-ZDUSSCGKSA-N 1 0 277.368 2.641 20 5 CFBDRO CS[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331019264 278159173 /nfs/dbraw/zinc/15/91/73/278159173.db2.gz QUODGACEDBLLKF-UTUOFQBUSA-N 1 0 298.412 2.616 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000169019618 278240088 /nfs/dbraw/zinc/24/00/88/278240088.db2.gz XREDDAUYPOIVRE-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H](NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177080 278344558 /nfs/dbraw/zinc/34/45/58/278344558.db2.gz OVTBYWGKXANVQS-CYBMUJFWSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295273996 278373780 /nfs/dbraw/zinc/37/37/80/278373780.db2.gz SFMPGOQGIOQKHZ-ZWNOBZJWSA-N 1 0 264.325 2.813 20 5 CFBDRO CCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511749 278709185 /nfs/dbraw/zinc/70/91/85/278709185.db2.gz VFPNNDWHSNMEEP-NWDGAFQWSA-N 1 0 266.345 2.665 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000336807058 278854228 /nfs/dbraw/zinc/85/42/28/278854228.db2.gz FQCJIAFUECSDTH-BXKDBHETSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420243196 279086391 /nfs/dbraw/zinc/08/63/91/279086391.db2.gz CIGOEHGFLWYBIV-MUWHJKNJSA-N 1 0 290.150 2.828 20 5 CFBDRO C[C@H](CF)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290202692 279276366 /nfs/dbraw/zinc/27/63/66/279276366.db2.gz PTQAILHRHGKXJF-GHMZBOCLSA-N 1 0 254.305 2.864 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC[C@@H]1C ZINC000449281829 279382482 /nfs/dbraw/zinc/38/24/82/279382482.db2.gz FIUFVHOUUMTUJW-OUCADQQQSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414331456 279382950 /nfs/dbraw/zinc/38/29/50/279382950.db2.gz FVOVLFUIEYPEAB-NFAWXSAZSA-N 1 0 292.379 2.667 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000300414810 279516609 /nfs/dbraw/zinc/51/66/09/279516609.db2.gz OYOGIQJDSHLHBU-VQISRLSMSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000222148899 279546079 /nfs/dbraw/zinc/54/60/79/279546079.db2.gz QIXJXZGOXGXXAM-ONGXEEELSA-N 1 0 252.339 2.751 20 5 CFBDRO C[C@H](SCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000339745899 279590107 /nfs/dbraw/zinc/59/01/07/279590107.db2.gz NWABBALTOGJEMR-JTQLQIEISA-N 1 0 254.355 2.951 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357041221 280112066 /nfs/dbraw/zinc/11/20/66/280112066.db2.gz QLBDXAKZVQQNIJ-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282181955 280186054 /nfs/dbraw/zinc/18/60/54/280186054.db2.gz FRQGVQVLRSYRIL-XCLFUZPHSA-N 1 0 296.392 2.547 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264651707 280360617 /nfs/dbraw/zinc/36/06/17/280360617.db2.gz XFBYLHSVSPFVMP-ZDUSSCGKSA-N 1 0 293.342 2.799 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOCC23CCCC3)cc1 ZINC000270667752 280363037 /nfs/dbraw/zinc/36/30/37/280363037.db2.gz ROUWZMTXPKUSJJ-UHFFFAOYSA-N 1 0 290.363 2.782 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129548396 280692895 /nfs/dbraw/zinc/69/28/95/280692895.db2.gz UHMQXNHKEWPFNJ-NFAWXSAZSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1ccnc1 ZINC000151130326 280800226 /nfs/dbraw/zinc/80/02/26/280800226.db2.gz QCOFYPPOSGKBRR-ZDUSSCGKSA-N 1 0 288.351 2.841 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000420305401 281022658 /nfs/dbraw/zinc/02/26/58/281022658.db2.gz KCXVMQHERFWTTG-BBRMVZONSA-N 1 0 289.379 2.650 20 5 CFBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248876064 281039410 /nfs/dbraw/zinc/03/94/10/281039410.db2.gz JKGFLNCYRISSSG-ZBFHGGJFSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278805771 281129017 /nfs/dbraw/zinc/12/90/17/281129017.db2.gz ROZRWUSYJDUIDZ-WBMJQRKESA-N 1 0 292.379 2.970 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395717894 281196121 /nfs/dbraw/zinc/19/61/21/281196121.db2.gz NZQFWVFQVAFAFW-WZRBSPASSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763222 281208991 /nfs/dbraw/zinc/20/89/91/281208991.db2.gz WQPNUKZWCWETQE-MNOVXSKESA-N 1 0 298.770 2.699 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449344597 281242062 /nfs/dbraw/zinc/24/20/62/281242062.db2.gz RUKAMAJBQGHTJQ-XHDPSFHLSA-N 1 0 278.352 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000449345276 281242897 /nfs/dbraw/zinc/24/28/97/281242897.db2.gz VAVOQPWDZBSERM-ZENOOKHLSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CC[NH+](C)C ZINC000097635508 281261159 /nfs/dbraw/zinc/26/11/59/281261159.db2.gz HONRUNGPYQRRQM-NSHDSACASA-N 1 0 251.330 2.655 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000512887755 281261325 /nfs/dbraw/zinc/26/13/25/281261325.db2.gz BBADPIXMXYCHQC-RYUDHWBXSA-N 1 0 263.341 2.798 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000515716614 281296798 /nfs/dbraw/zinc/29/67/98/281296798.db2.gz PEHQMFADKNYICW-LLVKDONJSA-N 1 0 274.324 2.520 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000531973539 281443287 /nfs/dbraw/zinc/44/32/87/281443287.db2.gz XWEDUHGPXYHYPD-IUODEOHRSA-N 1 0 278.352 2.980 20 5 CFBDRO CCC(CC)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535785802 281510477 /nfs/dbraw/zinc/51/04/77/281510477.db2.gz GJWPTJYRJOLJHA-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CC[C@H]([NH2+]C1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000539651539 281571612 /nfs/dbraw/zinc/57/16/12/281571612.db2.gz SFKUPDUYXNXPMR-ZDUSSCGKSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H](C)CO ZINC000540150417 281581813 /nfs/dbraw/zinc/58/18/13/281581813.db2.gz HMSIZOFVSMHVRL-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO C[C@H](F)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560462439 282028439 /nfs/dbraw/zinc/02/84/39/282028439.db2.gz OHKCUXVCYSEOSU-JTQLQIEISA-N 1 0 252.289 2.701 20 5 CFBDRO C[C@H]1C[C@H]1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561987172 282064453 /nfs/dbraw/zinc/06/44/53/282064453.db2.gz QNFWAJBYICZNQI-JQWIXIFHSA-N 1 0 273.336 2.864 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000562059950 282065759 /nfs/dbraw/zinc/06/57/59/282065759.db2.gz RROGMHDKOIEFGF-QWHCGFSZSA-N 1 0 280.368 2.818 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000562293891 282072842 /nfs/dbraw/zinc/07/28/42/282072842.db2.gz YQMIGFRCGIGINA-MFKMUULPSA-N 1 0 291.351 2.700 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000312302838 290016374 /nfs/dbraw/zinc/01/63/74/290016374.db2.gz XGGOQVSAPLZHHZ-JTQLQIEISA-N 1 0 279.315 2.630 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312570587 290016437 /nfs/dbraw/zinc/01/64/37/290016437.db2.gz OGKQKCAPJPOKAW-NSHDSACASA-N 1 0 281.331 2.796 20 5 CFBDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000290206092 290036304 /nfs/dbraw/zinc/03/63/04/290036304.db2.gz PNNKPOXCHXQUDF-XHDPSFHLSA-N 1 0 278.352 2.797 20 5 CFBDRO C[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000353725164 290038155 /nfs/dbraw/zinc/03/81/55/290038155.db2.gz WCAQKTAARRUQND-VURMDHGXSA-N 1 0 289.379 2.634 20 5 CFBDRO CC1(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000563002001 290091959 /nfs/dbraw/zinc/09/19/59/290091959.db2.gz CGBAJVHRIMOVGU-UHFFFAOYSA-N 1 0 291.351 2.703 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000563124940 290105995 /nfs/dbraw/zinc/10/59/95/290105995.db2.gz LGRYUDXVIQJGBU-HCKVZZMMSA-N 1 0 276.336 2.739 20 5 CFBDRO CSC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417194 290146333 /nfs/dbraw/zinc/14/63/33/290146333.db2.gz JRRMVGNDHJWNTN-JOYOIKCWSA-N 1 0 266.366 2.923 20 5 CFBDRO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417997 290147218 /nfs/dbraw/zinc/14/72/18/290147218.db2.gz NVNWVSJGCKNFBR-OASPWFOLSA-N 1 0 278.377 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c(F)c1 ZINC000563870190 290180075 /nfs/dbraw/zinc/18/00/75/290180075.db2.gz BTDKBURESHEBKW-AWEZNQCLSA-N 1 0 294.326 2.613 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCCC1 ZINC000126354918 290250362 /nfs/dbraw/zinc/25/03/62/290250362.db2.gz ZXMHTGSYWSHPGM-GFCCVEGCSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218297 290284043 /nfs/dbraw/zinc/28/40/43/290284043.db2.gz PKADFJULMXKFRE-IINYFYTJSA-N 1 0 286.335 2.666 20 5 CFBDRO CC[NH2+]CCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000566088332 290346475 /nfs/dbraw/zinc/34/64/75/290346475.db2.gz RXKDGLXRUYNGRO-AWEZNQCLSA-N 1 0 265.357 2.635 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@H]1C ZINC000566753662 290415482 /nfs/dbraw/zinc/41/54/82/290415482.db2.gz UCDAHPBGVCMTLS-JTNHKYCSSA-N 1 0 291.351 2.700 20 5 CFBDRO CON1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000568854905 290573196 /nfs/dbraw/zinc/57/31/96/290573196.db2.gz DQBMLJOOHIQSBQ-LBPRGKRZSA-N 1 0 293.367 2.580 20 5 CFBDRO Cc1c[nH+]ccc1N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357816164 292981147 /nfs/dbraw/zinc/98/11/47/292981147.db2.gz MJNRZDCZJSRBMD-UHFFFAOYSA-N 1 0 285.303 2.697 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343982460 298921403 /nfs/dbraw/zinc/92/14/03/298921403.db2.gz RWHKXETVSRKULD-NEPJUHHUSA-N 1 0 286.335 2.667 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)(O)CC1 ZINC000182846443 301865356 /nfs/dbraw/zinc/86/53/56/301865356.db2.gz PYJOGZLGKPQVBL-GFCCVEGCSA-N 1 0 278.352 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000420297224 301866990 /nfs/dbraw/zinc/86/69/90/301866990.db2.gz REDORWZHTFHXBA-FRRDWIJNSA-N 1 0 277.368 2.646 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414065736 533697753 /nfs/dbraw/zinc/69/77/53/533697753.db2.gz GGDATEINTNSPIG-HOSYDEDBSA-N 1 0 264.325 2.738 20 5 CFBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162539174 322365684 /nfs/dbraw/zinc/36/56/84/322365684.db2.gz RKUYLLNPTGAFEI-QWHCGFSZSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C)COC1 ZINC000164405126 322382129 /nfs/dbraw/zinc/38/21/29/322382129.db2.gz CTOQQFCFUZUUCQ-NSHDSACASA-N 1 0 264.325 2.590 20 5 CFBDRO C[C@H](CCCCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572975236 322639601 /nfs/dbraw/zinc/63/96/01/322639601.db2.gz PWTGTARQGSWTOB-BXUZGUMPSA-N 1 0 278.352 2.723 20 5 CFBDRO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573020857 322641585 /nfs/dbraw/zinc/64/15/85/322641585.db2.gz XELLNOTUIDZQHA-ZDUSSCGKSA-N 1 0 292.379 2.969 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000573137094 322645802 /nfs/dbraw/zinc/64/58/02/322645802.db2.gz DTOVJCUWKKOQGO-BXUZGUMPSA-N 1 0 276.336 2.598 20 5 CFBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000575167619 322720536 /nfs/dbraw/zinc/72/05/36/322720536.db2.gz KECROPCGXNCCBY-HNNXBMFYSA-N 1 0 298.342 2.997 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182329800 323857113 /nfs/dbraw/zinc/85/71/13/323857113.db2.gz DWKXYSSKZSWQCB-JSGCOSHPSA-N 1 0 294.351 2.521 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000182340518 323858205 /nfs/dbraw/zinc/85/82/05/323858205.db2.gz WIXZUWGFJXZEFN-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO COC[C@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189667400 324031611 /nfs/dbraw/zinc/03/16/11/324031611.db2.gz CDCNIFVAXXOBMP-GFCCVEGCSA-N 1 0 278.352 2.842 20 5 CFBDRO C[NH2+]CCCOc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000383913223 324442479 /nfs/dbraw/zinc/44/24/79/324442479.db2.gz YLPKHLATRKQFHG-UHFFFAOYSA-N 1 0 258.705 2.545 20 5 CFBDRO O=C(CC[NH2+][C@H]1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000576150141 324582872 /nfs/dbraw/zinc/58/28/72/324582872.db2.gz FTBILJASVOIYKY-LBPRGKRZSA-N 1 0 289.335 2.622 20 5 CFBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000576696410 324648304 /nfs/dbraw/zinc/64/83/04/324648304.db2.gz LXILWGQPGPGLGL-XYPYZODXSA-N 1 0 282.315 2.878 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@@H]1C ZINC000578252910 324833701 /nfs/dbraw/zinc/83/37/01/324833701.db2.gz VBXYLHFUGQJUSH-WDMOLILDSA-N 1 0 291.351 2.700 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000580190077 325014398 /nfs/dbraw/zinc/01/43/98/325014398.db2.gz CZXWARJHKHZXSZ-CQSZACIVSA-N 1 0 294.351 2.603 20 5 CFBDRO CCC[C@H](C)[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000580204798 325016141 /nfs/dbraw/zinc/01/61/41/325016141.db2.gz FBFMSBAQTKOPNQ-YQKVRLQISA-N 1 0 292.379 2.995 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000580302292 325023316 /nfs/dbraw/zinc/02/33/16/325023316.db2.gz WZFIZEQVEJAJPF-ZIAGYGMSSA-N 1 0 289.379 2.729 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccccn1 ZINC000580843138 325069128 /nfs/dbraw/zinc/06/91/28/325069128.db2.gz AKKBHTIBZNUMAK-HNNXBMFYSA-N 1 0 283.331 2.809 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000581617825 325137451 /nfs/dbraw/zinc/13/74/51/325137451.db2.gz FNRILTWRJUGJOQ-UHIISALHSA-N 1 0 276.336 2.739 20 5 CFBDRO CC(C)(CCCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582013619 325169849 /nfs/dbraw/zinc/16/98/49/325169849.db2.gz QUOQWPIHHOYMQY-CQSZACIVSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583391459 325284373 /nfs/dbraw/zinc/28/43/73/325284373.db2.gz VWPKURWIOLJEIZ-RISCZKNCSA-N 1 0 278.352 2.580 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000331007383 500949695 /nfs/dbraw/zinc/94/96/95/500949695.db2.gz MAQQNXBIAZSNNI-HUUCEWRRSA-N 1 0 278.352 2.544 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413137231 533738612 /nfs/dbraw/zinc/73/86/12/533738612.db2.gz OPKINDAGHVZDRC-GHMZBOCLSA-N 1 0 296.346 2.804 20 5 CFBDRO COc1cc(C[NH2+]CCC2=CCCC2)c([N+](=O)[O-])cc1O ZINC000120158096 533873370 /nfs/dbraw/zinc/87/33/70/533873370.db2.gz UXVANFRCRLYYFP-UHFFFAOYSA-N 1 0 292.335 2.899 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000181476618 518915652 /nfs/dbraw/zinc/91/56/52/518915652.db2.gz MQUXCYQQDNZQRM-CQSZACIVSA-N 1 0 280.368 2.524 20 5 CFBDRO CCCC[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000075634299 520474854 /nfs/dbraw/zinc/47/48/54/520474854.db2.gz PRCAWWSGWZPXPQ-UHFFFAOYSA-N 1 0 293.367 2.680 20 5 CFBDRO CCC[C@H](C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365113657 521017896 /nfs/dbraw/zinc/01/78/96/521017896.db2.gz ABBCOSRHTGZXCI-LBPRGKRZSA-N 1 0 280.372 2.864 20 5 CFBDRO CCOC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000231791911 521652167 /nfs/dbraw/zinc/65/21/67/521652167.db2.gz YISNJIYBRQEFDW-UHFFFAOYSA-N 1 0 284.743 2.905 20 5 CFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000072926566 521761615 /nfs/dbraw/zinc/76/16/15/521761615.db2.gz QWUJAOGLRMHPEO-UKRRQHHQSA-N 1 0 278.352 2.888 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000249736302 521825303 /nfs/dbraw/zinc/82/53/03/521825303.db2.gz FIXVGTLPNMQKKE-QJPTWQEYSA-N 1 0 293.367 2.946 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000182442631 522607793 /nfs/dbraw/zinc/60/77/93/522607793.db2.gz HGIMNIKNJVMSAP-MFKMUULPSA-N 1 0 252.314 2.670 20 5 CFBDRO COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000312852678 522630921 /nfs/dbraw/zinc/63/09/21/522630921.db2.gz QOQOJTYCRJVCAE-UHFFFAOYSA-N 1 0 278.352 2.952 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000311068029 523274328 /nfs/dbraw/zinc/27/43/28/523274328.db2.gz LDANDDAASVIUKU-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1CCCC1 ZINC000191297580 523390400 /nfs/dbraw/zinc/39/04/00/523390400.db2.gz XXYRZXJGRAVZHC-HNNXBMFYSA-N 1 0 292.379 2.968 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000227828795 523775680 /nfs/dbraw/zinc/77/56/80/523775680.db2.gz CFXOJZYBTHRACR-VHSXEESVSA-N 1 0 270.354 2.559 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000217367131 523922457 /nfs/dbraw/zinc/92/24/57/523922457.db2.gz DZSPGJBJVYNOAO-NSHDSACASA-N 1 0 251.330 2.737 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1[N+](=O)[O-] ZINC000070102530 524073982 /nfs/dbraw/zinc/07/39/82/524073982.db2.gz FSEILYJFWIBYIM-JTQLQIEISA-N 1 0 264.325 2.882 20 5 CFBDRO C[C@H](CCC[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000313282212 524140485 /nfs/dbraw/zinc/14/04/85/524140485.db2.gz DCXPCWJJNMMWBA-SSDOTTSWSA-N 1 0 292.261 2.548 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000059814787 524261435 /nfs/dbraw/zinc/26/14/35/524261435.db2.gz GDQGOVBBDFTHCY-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000163890434 524293207 /nfs/dbraw/zinc/29/32/07/524293207.db2.gz PMPATOLBFPGMNG-JQWIXIFHSA-N 1 0 297.786 2.665 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000312522286 524610439 /nfs/dbraw/zinc/61/04/39/524610439.db2.gz BYUIIGQZGBRPJT-KBPBESRZSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112209080 524908466 /nfs/dbraw/zinc/90/84/66/524908466.db2.gz ZCXKVYGJPNEMIY-QWHCGFSZSA-N 1 0 275.352 2.942 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340277720 525449853 /nfs/dbraw/zinc/44/98/53/525449853.db2.gz MWIQVEPGLPHMIK-SMDDNHRTSA-N 1 0 264.325 2.642 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000312957490 525453878 /nfs/dbraw/zinc/45/38/78/525453878.db2.gz STHIRDTZYHQERR-NSHDSACASA-N 1 0 281.356 2.744 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000312930233 525471438 /nfs/dbraw/zinc/47/14/38/525471438.db2.gz FIQZUDLQSLBAAE-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO C[C@H]([NH2+]Cc1c[nH]c2nccnc12)c1cccc([N+](=O)[O-])c1 ZINC000356184071 525478659 /nfs/dbraw/zinc/47/86/59/525478659.db2.gz UBJBJYIZPPVJRQ-JTQLQIEISA-N 1 0 297.318 2.669 20 5 CFBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000178361708 525591130 /nfs/dbraw/zinc/59/11/30/525591130.db2.gz JYFUTTHYBDWKDK-JECHBYEQSA-N 1 0 298.342 2.904 20 5 CFBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000305143723 525641470 /nfs/dbraw/zinc/64/14/70/525641470.db2.gz MXXCMPZXDUBTOE-VXGBXAGGSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1c(C[NH2+]Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000231884437 525724063 /nfs/dbraw/zinc/72/40/63/525724063.db2.gz YZZUIAVCNPBPNX-UHFFFAOYSA-N 1 0 272.304 2.899 20 5 CFBDRO Cc1c(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000300125072 525727105 /nfs/dbraw/zinc/72/71/05/525727105.db2.gz IPXFBSXSZPMZRJ-TYNCELHUSA-N 1 0 291.395 2.722 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230411571 525920366 /nfs/dbraw/zinc/92/03/66/525920366.db2.gz CZRYFUKXBXVUNC-QWHCGFSZSA-N 1 0 278.352 2.980 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)n1 ZINC000360871632 526060207 /nfs/dbraw/zinc/06/02/07/526060207.db2.gz KQUKHEJJJRKDFF-STQMWFEESA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000162723142 526061708 /nfs/dbraw/zinc/06/17/08/526061708.db2.gz RQSHNOMJYFXDPU-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)n1 ZINC000360668066 526062397 /nfs/dbraw/zinc/06/23/97/526062397.db2.gz CYTKLOBIYWDPQP-OLZOCXBDSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000084726469 526065212 /nfs/dbraw/zinc/06/52/12/526065212.db2.gz CINUTHVUFSCLBY-NSHDSACASA-N 1 0 261.325 2.552 20 5 CFBDRO O=[N+]([O-])c1c(F)cccc1NCC[NH+]1CCCCC1 ZINC000049575277 527320268 /nfs/dbraw/zinc/32/02/68/527320268.db2.gz PWYJSZDCVBZQDT-UHFFFAOYSA-N 1 0 267.304 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCSC2)cc1 ZINC000061588979 527347508 /nfs/dbraw/zinc/34/75/08/527347508.db2.gz LRDWMNBZLMKSHA-LBPRGKRZSA-N 1 0 266.366 2.623 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193848224 527348983 /nfs/dbraw/zinc/34/89/83/527348983.db2.gz PMYJMYQVUKHTGZ-CYBMUJFWSA-N 1 0 286.335 2.698 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c(Cl)c1 ZINC000230143611 527350812 /nfs/dbraw/zinc/35/08/12/527350812.db2.gz DKVOIVBSZJTBLV-GWCFXTLKSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn3ccccc23)cc1 ZINC000071373096 527350836 /nfs/dbraw/zinc/35/08/36/527350836.db2.gz FGACPKPWZPSJGT-UHFFFAOYSA-N 1 0 282.303 2.532 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000305202563 527351153 /nfs/dbraw/zinc/35/11/53/527351153.db2.gz BHLRDNSWCNCLJW-QGZVFWFLSA-N 1 0 298.342 2.518 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000360465905 527361267 /nfs/dbraw/zinc/36/12/67/527361267.db2.gz HLFMXYFOBRTOMB-LBPRGKRZSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000049234937 527372370 /nfs/dbraw/zinc/37/23/70/527372370.db2.gz MFLFZNVUFKPLJT-UHFFFAOYSA-N 1 0 276.336 2.752 20 5 CFBDRO [NH3+][C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000157386659 527376362 /nfs/dbraw/zinc/37/63/62/527376362.db2.gz KHKJECDOFVEWJM-HZPDHXFCSA-N 1 0 283.331 2.829 20 5 CFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413190636 528027988 /nfs/dbraw/zinc/02/79/88/528027988.db2.gz XHAOFEQJRRHCPZ-LLVKDONJSA-N 1 0 296.346 2.519 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414921094 528102510 /nfs/dbraw/zinc/10/25/10/528102510.db2.gz DDIDTZUFBWIKQZ-WFASDCNBSA-N 1 0 291.395 2.806 20 5 CFBDRO CCC[C@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423311284 528222897 /nfs/dbraw/zinc/22/28/97/528222897.db2.gz BRPWEQVEGZSCBC-CABCVRRESA-N 1 0 277.368 2.763 20 5 CFBDRO CCCC[N@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153758036 528348457 /nfs/dbraw/zinc/34/84/57/528348457.db2.gz JGLGPAONOFESIT-UHFFFAOYSA-N 1 0 286.763 2.787 20 5 CFBDRO CC(C)N(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192803113 528823667 /nfs/dbraw/zinc/82/36/67/528823667.db2.gz MIBJHOMLARTHLA-MRXNPFEDSA-N 1 0 291.395 2.902 20 5 CFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414706044 528950741 /nfs/dbraw/zinc/95/07/41/528950741.db2.gz OGYLXBBRMBUYDM-LLVKDONJSA-N 1 0 294.355 2.542 20 5 CFBDRO CCCC[C@H](C[NH3+])NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414811090 528953432 /nfs/dbraw/zinc/95/34/32/528953432.db2.gz IVBHJWSICJPSKC-IQCBXXCUSA-N 1 0 277.368 2.715 20 5 CFBDRO CC[C@H](C)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174848459 529202853 /nfs/dbraw/zinc/20/28/53/529202853.db2.gz RGKRJRKDHAHVDM-NWDGAFQWSA-N 1 0 280.372 2.690 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000492192387 535249165 /nfs/dbraw/zinc/24/91/65/535249165.db2.gz FZRYHLWQTJIIBL-LBPRGKRZSA-N 1 0 278.352 2.846 20 5 CFBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])s1 ZINC000195511368 535502915 /nfs/dbraw/zinc/50/29/15/535502915.db2.gz VYELOUVAMWEYIC-UHFFFAOYSA-N 1 0 272.374 2.585 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000452021010 535753123 /nfs/dbraw/zinc/75/31/23/535753123.db2.gz NTFICUYKROHOIG-HUUCEWRRSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001155021059 782170401 /nfs/dbraw/zinc/17/04/01/782170401.db2.gz UAMCFIWCNNHHGD-ZJUUUORDSA-N 1 0 298.774 2.691 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000746047336 574132008 /nfs/dbraw/zinc/13/20/08/574132008.db2.gz MFPTXVGULLCZNZ-KWQFWETISA-N 1 0 292.257 2.823 20 5 CFBDRO CC[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000741033708 574278946 /nfs/dbraw/zinc/27/89/46/574278946.db2.gz UERATNMDKLKGCW-ZDUSSCGKSA-N 1 0 294.351 2.758 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750095495 574324218 /nfs/dbraw/zinc/32/42/18/574324218.db2.gz ZCJXVTIHTBZHDM-ZFWWWQNUSA-N 1 0 278.352 2.606 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOC1CCC1 ZINC000742387895 574327233 /nfs/dbraw/zinc/32/72/33/574327233.db2.gz YATAXEMIDKHLIW-XQRVVYSFSA-N 1 0 276.336 2.767 20 5 CFBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000742425971 574330144 /nfs/dbraw/zinc/33/01/44/574330144.db2.gz RULUNYCIQUBCAZ-JTQLQIEISA-N 1 0 267.304 2.630 20 5 CFBDRO Cc1c(CN(CC[NH+](C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000750607186 574348995 /nfs/dbraw/zinc/34/89/95/574348995.db2.gz RXGGNFUFJFRACO-UHFFFAOYSA-N 1 0 293.411 2.923 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000891604814 617683560 /nfs/dbraw/zinc/68/35/60/617683560.db2.gz PZVHRIXLZZUHIF-JTQLQIEISA-N 1 0 282.340 2.785 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000932372080 617696710 /nfs/dbraw/zinc/69/67/10/617696710.db2.gz FISWKEYNINDZSO-MRVPVSSYSA-N 1 0 288.294 2.776 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891694851 617714398 /nfs/dbraw/zinc/71/43/98/617714398.db2.gz SCUUHPQEHMKBRX-JTQLQIEISA-N 1 0 282.340 2.787 20 5 CFBDRO CCC1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891748964 617737695 /nfs/dbraw/zinc/73/76/95/617737695.db2.gz UKNLYRBFJYIJDI-UHFFFAOYSA-N 1 0 294.351 2.931 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804678686 617799809 /nfs/dbraw/zinc/79/98/09/617799809.db2.gz PCQPOCFSXYYKSG-CQSZACIVSA-N 1 0 292.383 2.709 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440131 617920710 /nfs/dbraw/zinc/92/07/10/617920710.db2.gz WCSACERVBMDPKQ-NSHDSACASA-N 1 0 297.786 2.680 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934236066 617972841 /nfs/dbraw/zinc/97/28/41/617972841.db2.gz YHBMKNDHMZJBFL-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO CC1(C)C(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000158662112 618076213 /nfs/dbraw/zinc/07/62/13/618076213.db2.gz XVXXVZJFUWTNCA-CYBMUJFWSA-N 1 0 292.379 2.900 20 5 CFBDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113433 618111646 /nfs/dbraw/zinc/11/16/46/618111646.db2.gz QDRCTJHBZHDWFN-OUJBWJOFSA-N 1 0 298.770 2.804 20 5 CFBDRO C[C@@H]1[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO[C@H]1C ZINC000926113431 618111878 /nfs/dbraw/zinc/11/18/78/618111878.db2.gz QDRCTJHBZHDWFN-KWBADKCTSA-N 1 0 298.770 2.804 20 5 CFBDRO C[C@]12CSC[C@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000934775633 618127490 /nfs/dbraw/zinc/12/74/90/618127490.db2.gz MMUGVIPHLHNAIU-RISCZKNCSA-N 1 0 296.367 2.919 20 5 CFBDRO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000235150596 618144562 /nfs/dbraw/zinc/14/45/62/618144562.db2.gz OETHHHHTVJPGBU-IACUBPJLSA-N 1 0 296.392 2.502 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000219546720 618202240 /nfs/dbraw/zinc/20/22/40/618202240.db2.gz FUHDVGWKYPEHJT-LBPRGKRZSA-N 1 0 279.384 2.723 20 5 CFBDRO COc1c(O)ccc(C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000891454482 618220839 /nfs/dbraw/zinc/22/08/39/618220839.db2.gz OFPSBLGZJZKCHG-UHFFFAOYSA-N 1 0 280.324 2.541 20 5 CFBDRO [NH3+][C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C12CCC2 ZINC000925581666 618266516 /nfs/dbraw/zinc/26/65/16/618266516.db2.gz ULZYEBIERMVHPC-CHWSQXEVSA-N 1 0 295.770 2.608 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062350988 618376029 /nfs/dbraw/zinc/37/60/29/618376029.db2.gz QXBCFDONOOYGSB-ZFWWWQNUSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(CO)CCCCC1 ZINC000053097145 618387752 /nfs/dbraw/zinc/38/77/52/618387752.db2.gz HEQRDHLCUATUCK-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000235606906 618388608 /nfs/dbraw/zinc/38/86/08/618388608.db2.gz YPDJNTNLNCADKN-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1cc(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000895192385 618458422 /nfs/dbraw/zinc/45/84/22/618458422.db2.gz GRCHVZSIHADADL-NWDGAFQWSA-N 1 0 293.342 2.715 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895303372 618524027 /nfs/dbraw/zinc/52/40/27/618524027.db2.gz GDHUIDRGPJLDAM-VQCVXAJWSA-N 1 0 289.335 2.753 20 5 CFBDRO C[NH+](C)CC[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000895325390 618534218 /nfs/dbraw/zinc/53/42/18/618534218.db2.gz QBTRKURSVGWRGQ-NSHDSACASA-N 1 0 281.331 2.512 20 5 CFBDRO [NH3+]CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236204768 618610675 /nfs/dbraw/zinc/61/06/75/618610675.db2.gz BEAVVPIRQOBQCY-UHFFFAOYSA-N 1 0 271.320 2.560 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O ZINC000783558559 618717288 /nfs/dbraw/zinc/71/72/88/618717288.db2.gz DHXBJLBMWLKECL-SNVBAGLBSA-N 1 0 286.759 2.839 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000832337333 625288744 /nfs/dbraw/zinc/28/87/44/625288744.db2.gz SVEUGDNCZZDMHB-HNNXBMFYSA-N 1 0 294.326 2.736 20 5 CFBDRO COc1c(O)ccc(C[NH2+][C@@H](C)C2CCC2)c1[N+](=O)[O-] ZINC000893256436 618909573 /nfs/dbraw/zinc/90/95/73/618909573.db2.gz RYPCZFVHQXMBBM-VIFPVBQESA-N 1 0 280.324 2.587 20 5 CFBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000931391471 618960193 /nfs/dbraw/zinc/96/01/93/618960193.db2.gz FXSNTPQLASXNAC-BETUJISGSA-N 1 0 295.770 2.527 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000313016360 618972743 /nfs/dbraw/zinc/97/27/43/618972743.db2.gz AYEGGTMTSSAKBK-GFCCVEGCSA-N 1 0 284.743 2.763 20 5 CFBDRO [NH3+]CC[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633672 619041762 /nfs/dbraw/zinc/04/17/62/619041762.db2.gz LZGFTZSECJHXFP-ZDUSSCGKSA-N 1 0 297.786 2.952 20 5 CFBDRO CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000093633653 619041804 /nfs/dbraw/zinc/04/18/04/619041804.db2.gz YHVQOWTUQCVILI-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893677235 619154151 /nfs/dbraw/zinc/15/41/51/619154151.db2.gz RCLAPXHPXVRWRF-PWSUYJOCSA-N 1 0 294.351 2.929 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000894741626 619455882 /nfs/dbraw/zinc/45/58/82/619455882.db2.gz HSVVDJZVRLBFGW-RYUDHWBXSA-N 1 0 294.351 2.691 20 5 CFBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000895739218 619593603 /nfs/dbraw/zinc/59/36/03/619593603.db2.gz YAPPFXZPYLHMFF-JQWIXIFHSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000895738453 619598049 /nfs/dbraw/zinc/59/80/49/619598049.db2.gz LQQVUILFJZHJJO-ZWNOBZJWSA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738280 619598170 /nfs/dbraw/zinc/59/81/70/619598170.db2.gz UKJPBPJHQJIYFK-ZWNOBZJWSA-N 1 0 286.335 2.648 20 5 CFBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(C)CC2(C)C)c1[N+](=O)[O-] ZINC000895997110 619650386 /nfs/dbraw/zinc/65/03/86/619650386.db2.gz FLBKWQYQXYGXAG-OAHLLOKOSA-N 1 0 294.351 2.835 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000896510135 619747159 /nfs/dbraw/zinc/74/71/59/619747159.db2.gz LJFKJGFBFSDYTB-RISCZKNCSA-N 1 0 264.325 2.815 20 5 CFBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155563 619994243 /nfs/dbraw/zinc/99/42/43/619994243.db2.gz WHVUEWAMRZAACJ-HUUCEWRRSA-N 1 0 292.379 2.788 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CCC1(OC)OC)c1cccc([N+](=O)[O-])c1 ZINC000925229805 620050785 /nfs/dbraw/zinc/05/07/85/620050785.db2.gz INZBUQSWPHWKNF-UONOGXRCSA-N 1 0 294.351 2.787 20 5 CFBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000897461476 620176648 /nfs/dbraw/zinc/17/66/48/620176648.db2.gz QBLJIIQOEKNNNU-JTQLQIEISA-N 1 0 275.308 2.785 20 5 CFBDRO Cc1ncoc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461809 620176687 /nfs/dbraw/zinc/17/66/87/620176687.db2.gz XZVJGZZOPREFPN-SNVBAGLBSA-N 1 0 275.308 2.785 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000897461169 620176691 /nfs/dbraw/zinc/17/66/91/620176691.db2.gz MFCJBPANUKDUPG-YNEHKIRRSA-N 1 0 278.352 2.855 20 5 CFBDRO Cc1ncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897460296 620176853 /nfs/dbraw/zinc/17/68/53/620176853.db2.gz GTGLVKGQNXHWGJ-SNVBAGLBSA-N 1 0 275.308 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCCC[C@H]2O)cc1 ZINC000897537201 620222685 /nfs/dbraw/zinc/22/26/85/620222685.db2.gz OPEVKIYRHMIYQD-GDBMZVCRSA-N 1 0 292.379 2.668 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000897957376 620311201 /nfs/dbraw/zinc/31/12/01/620311201.db2.gz CKRKPLDPQMIBGZ-AEGPPILISA-N 1 0 260.337 2.916 20 5 CFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564632 625417019 /nfs/dbraw/zinc/41/70/19/625417019.db2.gz IHMWMSLRODSRHI-FZMZJTMJSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(Cc3ccoc3)C2)cc1 ZINC000898159812 620340687 /nfs/dbraw/zinc/34/06/87/620340687.db2.gz HZLUZIZIJZGSOG-UHFFFAOYSA-N 1 0 286.331 2.905 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CC1 ZINC000898203948 620344446 /nfs/dbraw/zinc/34/44/46/620344446.db2.gz LMDZLBGXIVSUHM-WBMJQRKESA-N 1 0 292.379 2.667 20 5 CFBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C[NH+](C)C ZINC000898308078 620370367 /nfs/dbraw/zinc/37/03/67/620370367.db2.gz NDMXZONHGAITIL-UHFFFAOYSA-N 1 0 297.374 2.754 20 5 CFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832564634 625417558 /nfs/dbraw/zinc/41/75/58/625417558.db2.gz IHMWMSLRODSRHI-RISCZKNCSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C/C=C/Cl ZINC000898430143 620463210 /nfs/dbraw/zinc/46/32/10/620463210.db2.gz VPGUQWDHDYPWMO-HVUAZKLTSA-N 1 0 252.701 2.924 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOC2CCSCC2)c1 ZINC000898442321 620465120 /nfs/dbraw/zinc/46/51/20/620465120.db2.gz MLPPKTTYZMNLMP-UHFFFAOYSA-N 1 0 296.392 2.597 20 5 CFBDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000899869791 620607368 /nfs/dbraw/zinc/60/73/68/620607368.db2.gz AEUJIRLYWAYOPZ-ZDUSSCGKSA-N 1 0 280.368 2.661 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000902448996 621091063 /nfs/dbraw/zinc/09/10/63/621091063.db2.gz KLNUOGDBYGYBJJ-FZMZJTMJSA-N 1 0 277.368 2.552 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903074950 621243049 /nfs/dbraw/zinc/24/30/49/621243049.db2.gz QDDJRHUAJYIQOZ-NEPJUHHUSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]CCOCC2CC2)cc([N+](=O)[O-])c1 ZINC000903093003 621257483 /nfs/dbraw/zinc/25/74/83/621257483.db2.gz OKESVJVABQZYML-LLVKDONJSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903096567 621259136 /nfs/dbraw/zinc/25/91/36/621259136.db2.gz GKZAMQHTEQIGQR-LKTVYLICSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903131469 621263668 /nfs/dbraw/zinc/26/36/68/621263668.db2.gz SPMMVFVGKSERKO-GMXVVIOVSA-N 1 0 294.351 2.822 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903174487 621274841 /nfs/dbraw/zinc/27/48/41/621274841.db2.gz KIAMVYNZQHIPKV-NSHDSACASA-N 1 0 296.367 2.927 20 5 CFBDRO C/C=C\C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903205781 621287702 /nfs/dbraw/zinc/28/77/02/621287702.db2.gz DJEVJNGLNAMXTI-UMCURTJPSA-N 1 0 250.298 2.830 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903213725 621290251 /nfs/dbraw/zinc/29/02/51/621290251.db2.gz QCCZVURUNRJZKL-NTZNESFSSA-N 1 0 296.367 2.804 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000903246399 621295201 /nfs/dbraw/zinc/29/52/01/621295201.db2.gz UPXLVTLVZALDQF-YPMHNXCESA-N 1 0 286.335 2.629 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903247193 621305325 /nfs/dbraw/zinc/30/53/25/621305325.db2.gz ZTTIODDZSDLLNS-UXIGCNINSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903287795 621319209 /nfs/dbraw/zinc/31/92/09/621319209.db2.gz QFXPAWONPGXSDL-NJBDSQKTSA-N 1 0 264.325 2.811 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903333420 621331724 /nfs/dbraw/zinc/33/17/24/621331724.db2.gz ZJAAOSRGXXKKJM-NXEZZACHSA-N 1 0 281.356 2.641 20 5 CFBDRO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903393179 621352277 /nfs/dbraw/zinc/35/22/77/621352277.db2.gz IDUQICUFRVHHNQ-ONERCXAPSA-N 1 0 276.336 2.597 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000903395165 621353355 /nfs/dbraw/zinc/35/33/55/621353355.db2.gz JJXTWBXMHJHNEQ-SUZMYJTESA-N 1 0 264.325 2.589 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1C ZINC000903395250 621353527 /nfs/dbraw/zinc/35/35/27/621353527.db2.gz KIEXOKCJIKEXQR-YRGRVCCFSA-N 1 0 278.352 2.540 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000903406222 621362002 /nfs/dbraw/zinc/36/20/02/621362002.db2.gz TVAVUZMBLJEFTB-ABAIWWIYSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]1C[C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC[NH2+]1 ZINC000904688533 621622446 /nfs/dbraw/zinc/62/24/46/621622446.db2.gz CECDXZCMHGGQNT-HTQZYQBOSA-N 1 0 294.336 2.562 20 5 CFBDRO Cc1cc(-c2noc([C@@]3(C)CCC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000904732184 621633010 /nfs/dbraw/zinc/63/30/10/621633010.db2.gz BFLKBBHIAIHJAU-CQSZACIVSA-N 1 0 288.307 2.552 20 5 CFBDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[N+](=O)[O-] ZINC000905084499 621692299 /nfs/dbraw/zinc/69/22/99/621692299.db2.gz ZYIGMEXGRRLYKN-QMMMGPOBSA-N 1 0 277.151 2.791 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000905067403 621696995 /nfs/dbraw/zinc/69/69/95/621696995.db2.gz ZKLDTJZUIUSWMA-UHFFFAOYSA-N 1 0 286.331 2.599 20 5 CFBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000905115101 621702884 /nfs/dbraw/zinc/70/28/84/621702884.db2.gz YPHOZJBISXCSKL-UHFFFAOYSA-N 1 0 274.723 2.623 20 5 CFBDRO CC(C)c1ccc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905192638 621714176 /nfs/dbraw/zinc/71/41/76/621714176.db2.gz WMBYFMQOOAWCHZ-GFCCVEGCSA-N 1 0 250.342 2.607 20 5 CFBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000905229138 621720526 /nfs/dbraw/zinc/72/05/26/621720526.db2.gz JQSAWRAJPIWXAP-UHFFFAOYSA-N 1 0 290.285 2.849 20 5 CFBDRO COC[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081053766 625569270 /nfs/dbraw/zinc/56/92/70/625569270.db2.gz UYWWFAWFNYNUJD-LLVKDONJSA-N 1 0 284.743 2.717 20 5 CFBDRO Cc1ccc(NC(=O)[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000911906288 622580209 /nfs/dbraw/zinc/58/02/09/622580209.db2.gz AMYMFMAFVQIBAJ-HNNXBMFYSA-N 1 0 293.367 2.853 20 5 CFBDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000222965117 622976776 /nfs/dbraw/zinc/97/67/76/622976776.db2.gz NQNCRIRJWXTMTN-FZMZJTMJSA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1ccc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822723167 623160201 /nfs/dbraw/zinc/16/02/01/623160201.db2.gz SHSZSGLCGFXYNB-LLVKDONJSA-N 1 0 288.307 2.768 20 5 CFBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000171690633 623238863 /nfs/dbraw/zinc/23/88/63/623238863.db2.gz INTBFBDKRFESTM-SECBINFHSA-N 1 0 270.329 2.671 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000230165570 623259466 /nfs/dbraw/zinc/25/94/66/623259466.db2.gz LVOLPFXJNMBISH-JTQLQIEISA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230165565 623260047 /nfs/dbraw/zinc/26/00/47/623260047.db2.gz LVOLPFXJNMBISH-SNVBAGLBSA-N 1 0 284.743 2.764 20 5 CFBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230261397 623268564 /nfs/dbraw/zinc/26/85/64/623268564.db2.gz XDZICSVLFVCVLG-CQSZACIVSA-N 1 0 282.315 2.735 20 5 CFBDRO Cc1cc(-c2noc(CCCCC[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270193 623280733 /nfs/dbraw/zinc/28/07/33/623280733.db2.gz OQISWZJBYOCVPB-UHFFFAOYSA-N 1 0 290.323 2.625 20 5 CFBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230697861 623292345 /nfs/dbraw/zinc/29/23/45/623292345.db2.gz LDDBNZXIWYQHOY-WCQYABFASA-N 1 0 266.366 2.969 20 5 CFBDRO CS[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230697867 623292693 /nfs/dbraw/zinc/29/26/93/623292693.db2.gz LDDBNZXIWYQHOY-AAEUAGOBSA-N 1 0 266.366 2.969 20 5 CFBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000823509914 623338311 /nfs/dbraw/zinc/33/83/11/623338311.db2.gz UDRHIKJBLYCXFM-JMSVASOKSA-N 1 0 278.352 2.749 20 5 CFBDRO CC1(C)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174257188 623404997 /nfs/dbraw/zinc/40/49/97/623404997.db2.gz BRDYLAMTPVSWRN-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000925382627 623512459 /nfs/dbraw/zinc/51/24/59/623512459.db2.gz LYDYSLQJRMKCSJ-JTQLQIEISA-N 1 0 284.743 2.723 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824903217 623584716 /nfs/dbraw/zinc/58/47/16/623584716.db2.gz BRZWNIRUIXWBHL-DGCLKSJQSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000929859944 623977039 /nfs/dbraw/zinc/97/70/39/623977039.db2.gz CMFJERMQMJFOJM-INIZCTEOSA-N 1 0 270.332 2.837 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000827288549 623982549 /nfs/dbraw/zinc/98/25/49/623982549.db2.gz ZMAPNZVTCRTTOG-CYBMUJFWSA-N 1 0 291.351 2.694 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1Cl ZINC000827366275 623993348 /nfs/dbraw/zinc/99/33/48/623993348.db2.gz UGOSXSPGGWZLBH-QWHCGFSZSA-N 1 0 296.754 2.641 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827519947 624021956 /nfs/dbraw/zinc/02/19/56/624021956.db2.gz XIPBXGSRUVULNS-GFCCVEGCSA-N 1 0 297.786 2.822 20 5 CFBDRO C[N@@H+]1CCC[C@@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000917419170 624339664 /nfs/dbraw/zinc/33/96/64/624339664.db2.gz KHWPFVDGEPYSBZ-OAHLLOKOSA-N 1 0 286.335 2.553 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000829012437 624355115 /nfs/dbraw/zinc/35/51/15/624355115.db2.gz QMIZAUYFLFDCLG-RCBQFDQVSA-N 1 0 290.363 2.893 20 5 CFBDRO CC[C@H]1COC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468083 624584547 /nfs/dbraw/zinc/58/45/47/624584547.db2.gz YPIWZZFKMFLGPJ-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCC2)O1 ZINC000830733646 624829130 /nfs/dbraw/zinc/82/91/30/624829130.db2.gz AZGPZJVLOIDRKV-NSHDSACASA-N 1 0 294.326 2.877 20 5 CFBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000929205805 624831136 /nfs/dbraw/zinc/83/11/36/624831136.db2.gz VUKKZISYZLMPHL-GFCCVEGCSA-N 1 0 256.733 2.903 20 5 CFBDRO CCCC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000232974726 624913756 /nfs/dbraw/zinc/91/37/56/624913756.db2.gz CHGRPJFNFTURQZ-AWEZNQCLSA-N 1 0 278.352 2.798 20 5 CFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000832084864 625219823 /nfs/dbraw/zinc/21/98/23/625219823.db2.gz OCMCBPWGGWBCNA-CYBMUJFWSA-N 1 0 298.358 2.963 20 5 CFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834884181 625908805 /nfs/dbraw/zinc/90/88/05/625908805.db2.gz WOHGXYICHNAASA-UMNHJUIQSA-N 1 0 263.341 2.874 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000921620337 625998457 /nfs/dbraw/zinc/99/84/57/625998457.db2.gz SNFWEXUNUABFBD-UHFFFAOYSA-N 1 0 284.315 2.820 20 5 CFBDRO Cc1noc(C[NH+]2CCCCCCC2)c1[N+](=O)[O-] ZINC000851715097 634483625 /nfs/dbraw/zinc/48/36/25/634483625.db2.gz WTTQMLAWEJWMAW-UHFFFAOYSA-N 1 0 253.302 2.657 20 5 CFBDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000922843209 626378127 /nfs/dbraw/zinc/37/81/27/626378127.db2.gz QPEIPSSQOJCACO-CMPLNLGQSA-N 1 0 266.366 2.969 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000922892161 626413362 /nfs/dbraw/zinc/41/33/62/626413362.db2.gz NUUSATRUMMNJEH-GDBMZVCRSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1 ZINC000923026901 626443873 /nfs/dbraw/zinc/44/38/73/626443873.db2.gz DITAILQZOBLJFR-AWEZNQCLSA-N 1 0 276.336 2.786 20 5 CFBDRO CC[C@H](C)C[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886033058 626482675 /nfs/dbraw/zinc/48/26/75/626482675.db2.gz RANHHSTYTCAZSR-NSHDSACASA-N 1 0 251.330 2.858 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000839190517 626530528 /nfs/dbraw/zinc/53/05/28/626530528.db2.gz HFPWAQFPXYRJQE-UONOGXRCSA-N 1 0 294.326 2.781 20 5 CFBDRO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000749320311 626540673 /nfs/dbraw/zinc/54/06/73/626540673.db2.gz LPGPRMCKFLPWPO-JTQLQIEISA-N 1 0 297.305 2.546 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520243 626842106 /nfs/dbraw/zinc/84/21/06/626842106.db2.gz NDRBZHGBMNLDHP-CYBMUJFWSA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000761898404 626871757 /nfs/dbraw/zinc/87/17/57/626871757.db2.gz OLTPAIISRPOLLB-UHFFFAOYSA-N 1 0 296.342 2.909 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763672803 627004040 /nfs/dbraw/zinc/00/40/40/627004040.db2.gz CIBDVBXDRSRNAF-BXKDBHETSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]1COCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769455661 627441789 /nfs/dbraw/zinc/44/17/89/627441789.db2.gz GYYRECARWJVTKP-RYWCDNDXSA-N 1 0 276.336 2.576 20 5 CFBDRO COCC1(C)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000773726434 627852106 /nfs/dbraw/zinc/85/21/06/627852106.db2.gz CQYXYDJROFHSHX-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CCO)C1CC1)CCC2 ZINC000774252281 627908726 /nfs/dbraw/zinc/90/87/26/627908726.db2.gz KUQRSJDEGGJQLM-HZPDHXFCSA-N 1 0 290.363 2.723 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000774534785 627936011 /nfs/dbraw/zinc/93/60/11/627936011.db2.gz SWMQSTQJOYLLON-WFASDCNBSA-N 1 0 277.368 2.904 20 5 CFBDRO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550001 628035975 /nfs/dbraw/zinc/03/59/75/628035975.db2.gz WCMNHJVHOMVBDU-VNKGSWCUSA-N 1 0 292.335 2.673 20 5 CFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775782469 628067289 /nfs/dbraw/zinc/06/72/89/628067289.db2.gz IDVBSGKKOHZIRO-NILFDRSVSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279066 628125842 /nfs/dbraw/zinc/12/58/42/628125842.db2.gz WYPKRWJMAZDBPX-DOMZBBRYSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000776584290 628161479 /nfs/dbraw/zinc/16/14/79/628161479.db2.gz KIBVIDBZZYHBLC-JMSVASOKSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000776593036 628162824 /nfs/dbraw/zinc/16/28/24/628162824.db2.gz UISNJXWOHDMMTP-IIAWOOMASA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000776593038 628163131 /nfs/dbraw/zinc/16/31/31/628163131.db2.gz UISNJXWOHDMMTP-LZWOXQAQSA-N 1 0 290.363 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC3(CC3)CC2)cc1 ZINC000776602540 628163846 /nfs/dbraw/zinc/16/38/46/628163846.db2.gz USQDVUGXIMRTHE-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777958000 628266965 /nfs/dbraw/zinc/26/69/65/628266965.db2.gz WZUHNCOORXGQEN-LBPRGKRZSA-N 1 0 286.335 2.900 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000852096467 634650750 /nfs/dbraw/zinc/65/07/50/634650750.db2.gz KYADKIGIBVADDT-SMDDNHRTSA-N 1 0 294.351 2.787 20 5 CFBDRO Cc1nn(CN2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000779865711 628415522 /nfs/dbraw/zinc/41/55/22/628415522.db2.gz OIYRJKUWEHDRLT-UHFFFAOYSA-N 1 0 278.356 2.713 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000783624780 628728146 /nfs/dbraw/zinc/72/81/46/628728146.db2.gz FSCXXGVJNYLDPX-ZDUSSCGKSA-N 1 0 284.743 2.764 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783648435 628730147 /nfs/dbraw/zinc/73/01/47/628730147.db2.gz JFFTYUKVSDUMLI-ONGXEEELSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652446 628731279 /nfs/dbraw/zinc/73/12/79/628731279.db2.gz MKVDKPJOMSBKDF-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677122 628733220 /nfs/dbraw/zinc/73/32/20/628733220.db2.gz UCCKBLOKPLMQDW-VUDBWIFFSA-N 1 0 284.743 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1Cl ZINC000783680076 628733999 /nfs/dbraw/zinc/73/39/99/628733999.db2.gz PVFPCVLUENUQFZ-YPMHNXCESA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000784350127 628808267 /nfs/dbraw/zinc/80/82/67/628808267.db2.gz YETSUWSORWQWJJ-WFASDCNBSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000784514524 628822953 /nfs/dbraw/zinc/82/29/53/628822953.db2.gz XKFPOPXXXVQOIX-UKRRQHHQSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000784513655 628823155 /nfs/dbraw/zinc/82/31/55/628823155.db2.gz DRNKUFHCVCROFT-ZFWWWQNUSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000785607831 628898376 /nfs/dbraw/zinc/89/83/76/628898376.db2.gz TUXYUDUAYPLCSU-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CC(C)C ZINC000786811966 628980492 /nfs/dbraw/zinc/98/04/92/628980492.db2.gz FPBOKONWRQVYOH-RQPMMQJISA-N 1 0 292.379 2.995 20 5 CFBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000786827480 628981325 /nfs/dbraw/zinc/98/13/25/628981325.db2.gz VRFBBWHLKYZSGX-UHFFFAOYSA-N 1 0 283.347 2.902 20 5 CFBDRO Cc1c(C(=O)OCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000787981422 629046339 /nfs/dbraw/zinc/04/63/39/629046339.db2.gz XPMDPBKYFLNSEF-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589639 629083818 /nfs/dbraw/zinc/08/38/18/629083818.db2.gz SHGNCNSIUGSLAL-NEPJUHHUSA-N 1 0 294.399 2.558 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622540 629087650 /nfs/dbraw/zinc/08/76/50/629087650.db2.gz CAXHVWDDANZBMM-ONGXEEELSA-N 1 0 281.381 2.723 20 5 CFBDRO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752397 629096791 /nfs/dbraw/zinc/09/67/91/629096791.db2.gz VTZKOPKXNDRITJ-LLVKDONJSA-N 1 0 293.367 2.644 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788763667 629097892 /nfs/dbraw/zinc/09/78/92/629097892.db2.gz JQMLNMXHAZBPDT-JQWIXIFHSA-N 1 0 293.367 2.785 20 5 CFBDRO O=[N+]([O-])c1ccc(SCC[NH+]2CCCC2)c(F)c1 ZINC000789966171 629200947 /nfs/dbraw/zinc/20/09/47/629200947.db2.gz FSXAXSGLBUSHAG-UHFFFAOYSA-N 1 0 270.329 2.922 20 5 CFBDRO C[C@@H]1C[C@@H](C)[NH+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000791566676 629333324 /nfs/dbraw/zinc/33/33/24/629333324.db2.gz COMBVLWUJSPKHG-NXEZZACHSA-N 1 0 295.314 2.545 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423207 634742511 /nfs/dbraw/zinc/74/25/11/634742511.db2.gz WWHNFBLQWJRXLP-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CC=CCC2)cc1Cl ZINC000793320175 629525950 /nfs/dbraw/zinc/52/59/50/629525950.db2.gz AMXTWONLKGOMHN-UHFFFAOYSA-N 1 0 295.770 2.600 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852457089 634749483 /nfs/dbraw/zinc/74/94/83/634749483.db2.gz OQCDQKHBQHATTQ-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000794683478 629674721 /nfs/dbraw/zinc/67/47/21/629674721.db2.gz FTMWKVNMWCAJAW-GFCCVEGCSA-N 1 0 280.372 2.876 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000796576221 629937210 /nfs/dbraw/zinc/93/72/10/629937210.db2.gz ALDKKMQKWLSAER-MRXNPFEDSA-N 1 0 290.363 2.893 20 5 CFBDRO CC(C)[C@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000798819828 630242482 /nfs/dbraw/zinc/24/24/82/630242482.db2.gz KYQOTYYDQVAHEK-BXUZGUMPSA-N 1 0 294.351 2.785 20 5 CFBDRO Cc1cc(COC(=O)[C@H](C(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000798851325 630246258 /nfs/dbraw/zinc/24/62/58/630246258.db2.gz ZBWKSPANXZNKIF-AWEZNQCLSA-N 1 0 294.351 2.533 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000798964465 630265718 /nfs/dbraw/zinc/26/57/18/630265718.db2.gz QSGJUWYNXTZELA-AWEZNQCLSA-N 1 0 283.331 2.979 20 5 CFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545220 630455789 /nfs/dbraw/zinc/45/57/89/630455789.db2.gz KXMYOXXDEYPUJC-ZETOZRRWSA-N 1 0 296.342 2.715 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804442692 630682141 /nfs/dbraw/zinc/68/21/41/630682141.db2.gz JTQKVDLCGKSBIX-TXEJJXNPSA-N 1 0 292.383 2.852 20 5 CFBDRO C[NH+](C)CCSc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804539466 630691378 /nfs/dbraw/zinc/69/13/78/630691378.db2.gz JRBLNJMTNHULCG-UHFFFAOYSA-N 1 0 260.746 2.902 20 5 CFBDRO Cc1ccc(-c2nc([C@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000041123498 649989230 /nfs/dbraw/zinc/98/92/30/649989230.db2.gz JCGDHTUJPYZWAE-LLVKDONJSA-N 1 0 276.296 2.609 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840859067 631243814 /nfs/dbraw/zinc/24/38/14/631243814.db2.gz GXGIDLDRGSCRCU-FXPVBKGRSA-N 1 0 281.381 2.722 20 5 CFBDRO CCC[C@@H](C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736521 631273815 /nfs/dbraw/zinc/27/38/15/631273815.db2.gz YIFJYPYFZSZUDS-GFCCVEGCSA-N 1 0 265.357 2.796 20 5 CFBDRO O=[N+]([O-])c1cccc(CNc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000841076609 631332108 /nfs/dbraw/zinc/33/21/08/631332108.db2.gz KAHNGYSQCHFONS-UHFFFAOYSA-N 1 0 299.330 2.689 20 5 CFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000841691344 631452976 /nfs/dbraw/zinc/45/29/76/631452976.db2.gz CHUFVZXUFDXXOW-GRYCIOLGSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476145 631640976 /nfs/dbraw/zinc/64/09/76/631640976.db2.gz HWAQVJSMEPUPJU-BFVZDQMLSA-N 1 0 297.786 2.724 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477402 631641536 /nfs/dbraw/zinc/64/15/36/631641536.db2.gz UMJDUZUMWMLHSE-CZUORRHYSA-N 1 0 289.379 2.792 20 5 CFBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000842476734 631641745 /nfs/dbraw/zinc/64/17/45/631641745.db2.gz UGRPUBJKRFTULC-GPCCPHFNSA-N 1 0 297.786 2.724 20 5 CFBDRO Cc1c(Cc2nc([C@@H]([NH3+])C(C)C)no2)cccc1[N+](=O)[O-] ZINC000843150928 631863130 /nfs/dbraw/zinc/86/31/30/631863130.db2.gz WQDBIYZANJNKPT-ZDUSSCGKSA-N 1 0 290.323 2.533 20 5 CFBDRO COC(=O)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000813333183 631905120 /nfs/dbraw/zinc/90/51/20/631905120.db2.gz JYZUJGVNAMRXRC-ZDUSSCGKSA-N 1 0 294.351 2.520 20 5 CFBDRO CC(C)[C@@](C)(C[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000843355897 631936040 /nfs/dbraw/zinc/93/60/40/631936040.db2.gz LPRXKXKUSMECCP-CYBMUJFWSA-N 1 0 285.775 2.711 20 5 CFBDRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581386 632291245 /nfs/dbraw/zinc/29/12/45/632291245.db2.gz FDBVMMKBWCSJTP-NXEZZACHSA-N 1 0 283.397 2.969 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618326 632298807 /nfs/dbraw/zinc/29/88/07/632298807.db2.gz JIPVRBOQBURVBE-PWSUYJOCSA-N 1 0 277.324 2.520 20 5 CFBDRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846203759 632659556 /nfs/dbraw/zinc/65/95/56/632659556.db2.gz AYHGGBZJFHDHIK-GHMZBOCLSA-N 1 0 293.367 2.643 20 5 CFBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000818339701 632832646 /nfs/dbraw/zinc/83/26/46/632832646.db2.gz DUAGYANNCYRUFC-VXGBXAGGSA-N 1 0 283.759 2.608 20 5 CFBDRO CC1(C)CC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819253427 633040645 /nfs/dbraw/zinc/04/06/45/633040645.db2.gz ONKPLRMEEYWWIH-AWEZNQCLSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1CO ZINC000857061700 635922329 /nfs/dbraw/zinc/92/23/29/635922329.db2.gz ULDCGQBJAZKDQO-ZYHUDNBSSA-N 1 0 298.770 2.699 20 5 CFBDRO C[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848477036 633264066 /nfs/dbraw/zinc/26/40/66/633264066.db2.gz NCGIUNVKOYPIQW-LBPRGKRZSA-N 1 0 286.335 2.758 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848754278 633336159 /nfs/dbraw/zinc/33/61/59/633336159.db2.gz PGAXREDIADNKJL-BJHJDKERSA-N 1 0 291.351 2.550 20 5 CFBDRO CC[C@H](C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849326229 633617666 /nfs/dbraw/zinc/61/76/66/633617666.db2.gz BIIAUCSZTZHEHX-FZMZJTMJSA-N 1 0 266.341 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000850386450 633969791 /nfs/dbraw/zinc/96/97/91/633969791.db2.gz KLBKYPLOIQRDBU-LLVKDONJSA-N 1 0 298.770 2.746 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850508800 634023799 /nfs/dbraw/zinc/02/37/99/634023799.db2.gz OKPBIFRJERBIGJ-WDEREUQCSA-N 1 0 262.309 2.973 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C=CCC3)CC2)cc1 ZINC000850508885 634024133 /nfs/dbraw/zinc/02/41/33/634024133.db2.gz KYDWAFLRJWCNQB-CYBMUJFWSA-N 1 0 287.363 2.872 20 5 CFBDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850523417 634031834 /nfs/dbraw/zinc/03/18/34/634031834.db2.gz IQYUKIANQHPUFA-ZYHUDNBSSA-N 1 0 291.351 2.539 20 5 CFBDRO CC(C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000853134295 634917064 /nfs/dbraw/zinc/91/70/64/634917064.db2.gz PNUCCTZFFDAVBC-HNNXBMFYSA-N 1 0 292.383 2.709 20 5 CFBDRO CC(C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000853133290 634917406 /nfs/dbraw/zinc/91/74/06/634917406.db2.gz IFVCEEBJTBQOCM-HNNXBMFYSA-N 1 0 292.383 2.709 20 5 CFBDRO C[C@H](CCNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+](C)C ZINC000853799355 635110310 /nfs/dbraw/zinc/11/03/10/635110310.db2.gz OFZGRHDNAIMXNP-SECBINFHSA-N 1 0 294.380 2.957 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH+](C)C ZINC000853799974 635110328 /nfs/dbraw/zinc/11/03/28/635110328.db2.gz WIFXCPODGSTNIM-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO CC[C@@H]([NH2+]C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000854159462 635235643 /nfs/dbraw/zinc/23/56/43/635235643.db2.gz CHZSEHWVVIBTAD-SNVBAGLBSA-N 1 0 276.296 2.624 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(CCO)CC1 ZINC000157347727 650215821 /nfs/dbraw/zinc/21/58/21/650215821.db2.gz QSWUDRHIWBWQME-UHFFFAOYSA-N 1 0 284.743 2.500 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000857858024 636037401 /nfs/dbraw/zinc/03/74/01/636037401.db2.gz KFHUKVKVPVMORH-AWEZNQCLSA-N 1 0 286.335 2.528 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000858780287 636344250 /nfs/dbraw/zinc/34/42/50/636344250.db2.gz MFWKFAQKVXTOOB-CYBMUJFWSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C ZINC000159961041 650286243 /nfs/dbraw/zinc/28/62/43/650286243.db2.gz OLNVWBBGVVQSFE-RYUDHWBXSA-N 1 0 288.351 2.880 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862488102 637402203 /nfs/dbraw/zinc/40/22/03/637402203.db2.gz ZQDBOLWQQCFPKM-OLZOCXBDSA-N 1 0 284.743 2.905 20 5 CFBDRO Cc1nn(C[N@@H+]2CCCC3(CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000863329480 637629075 /nfs/dbraw/zinc/62/90/75/637629075.db2.gz BYRACPXRPFHOAT-UHFFFAOYSA-N 1 0 278.356 2.632 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000863483254 637674909 /nfs/dbraw/zinc/67/49/09/637674909.db2.gz SZBKCARADBVMGB-CYBMUJFWSA-N 1 0 295.770 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCC23CC3)cc1 ZINC000863588359 637704825 /nfs/dbraw/zinc/70/48/25/637704825.db2.gz MGUPGYZPGIQQCZ-DZGCQCFKSA-N 1 0 290.363 2.798 20 5 CFBDRO Cc1ccccc1[C@@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000077446988 650425329 /nfs/dbraw/zinc/42/53/29/650425329.db2.gz RGTRZWWCQNPNBJ-HNNXBMFYSA-N 1 0 286.335 2.894 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000865734818 638543517 /nfs/dbraw/zinc/54/35/17/638543517.db2.gz PWPXHJSMDWTILF-HAQNSBGRSA-N 1 0 266.366 2.887 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC([NH+]2CCCC2)C1 ZINC000865937643 638667277 /nfs/dbraw/zinc/66/72/77/638667277.db2.gz XLENGAHQLVSOOH-UHFFFAOYSA-N 1 0 281.743 2.533 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207942 638770840 /nfs/dbraw/zinc/77/08/40/638770840.db2.gz RUYKSSNBSFTBBZ-PWSUYJOCSA-N 1 0 295.770 2.779 20 5 CFBDRO CCN(CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215475 638772208 /nfs/dbraw/zinc/77/22/08/638772208.db2.gz XXWWGMMYAXINFX-LBPRGKRZSA-N 1 0 297.374 2.596 20 5 CFBDRO CSCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866216482 638772561 /nfs/dbraw/zinc/77/25/61/638772561.db2.gz GVPYWLSZOBCOJU-SECBINFHSA-N 1 0 272.345 2.618 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC1 ZINC000866226948 638774373 /nfs/dbraw/zinc/77/43/73/638774373.db2.gz VVGOMGZVEMSTQY-VIFPVBQESA-N 1 0 252.289 2.665 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866248478 638779495 /nfs/dbraw/zinc/77/94/95/638779495.db2.gz PIKQTNFBDPOXGI-NSHDSACASA-N 1 0 298.358 2.806 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265712 638784395 /nfs/dbraw/zinc/78/43/95/638784395.db2.gz QOGCBYWLOMXXTK-IAQYHMDHSA-N 1 0 298.358 2.662 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866268949 638785173 /nfs/dbraw/zinc/78/51/73/638785173.db2.gz LGBSTTJEFRGTIL-GXFFZTMASA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000866269127 638785216 /nfs/dbraw/zinc/78/52/16/638785216.db2.gz BICJNTWUZRPFHD-UTUOFQBUSA-N 1 0 298.358 2.662 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000866271987 638785920 /nfs/dbraw/zinc/78/59/20/638785920.db2.gz HGDVUBXFSNPAIM-SMDDNHRTSA-N 1 0 298.358 2.926 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000866309835 638794698 /nfs/dbraw/zinc/79/46/98/638794698.db2.gz BKABUIRPZRRHRB-UHIISALHSA-N 1 0 296.342 2.822 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000866313304 638795724 /nfs/dbraw/zinc/79/57/24/638795724.db2.gz YWOJBPKBSHKSNE-VHSXEESVSA-N 1 0 292.314 2.739 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000866340039 638799339 /nfs/dbraw/zinc/79/93/39/638799339.db2.gz AQGXLBAHAGFLMB-PSOPSSQASA-N 1 0 296.342 2.558 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC[C@H]1C ZINC000866348898 638801297 /nfs/dbraw/zinc/80/12/97/638801297.db2.gz UCHXGECZLQWERV-GYSYKLTISA-N 1 0 296.342 2.680 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866355873 638802903 /nfs/dbraw/zinc/80/29/03/638802903.db2.gz FYZWHEBBAKPZLM-WCQYABFASA-N 1 0 298.358 2.519 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364313 638804731 /nfs/dbraw/zinc/80/47/31/638804731.db2.gz QWIGJTPOUXQEDQ-WDEREUQCSA-N 1 0 298.358 2.804 20 5 CFBDRO CCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121136294 638852224 /nfs/dbraw/zinc/85/22/24/638852224.db2.gz SOIRTAUDLYWGJC-UHFFFAOYSA-N 1 0 262.313 2.552 20 5 CFBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000866634918 638858752 /nfs/dbraw/zinc/85/87/52/638858752.db2.gz VPVTZSRLXZXHRG-GRYCIOLGSA-N 1 0 296.367 2.804 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725199 638871151 /nfs/dbraw/zinc/87/11/51/638871151.db2.gz PPWMQWHVMWSDIG-QWHCGFSZSA-N 1 0 295.770 2.575 20 5 CFBDRO C[C@H]([NH2+]CCCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016027 641547380 /nfs/dbraw/zinc/54/73/80/641547380.db2.gz BUGPTYJLSMJVRD-NSHDSACASA-N 1 0 292.314 2.671 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016352 641548750 /nfs/dbraw/zinc/54/87/50/641548750.db2.gz JFHIEKATPHRQDN-UWVGGRQHSA-N 1 0 284.381 2.738 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025108 641556945 /nfs/dbraw/zinc/55/69/45/641556945.db2.gz ZIOHDOXDBUKURJ-QWRGUYRKSA-N 1 0 284.331 2.792 20 5 CFBDRO Cc1nccn1CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031683 641561996 /nfs/dbraw/zinc/56/19/96/641561996.db2.gz SPXJQUGUNFMEQQ-SNVBAGLBSA-N 1 0 292.314 2.590 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000872033940 641564546 /nfs/dbraw/zinc/56/45/46/641564546.db2.gz KLPSPVTVKFZZNM-GHMZBOCLSA-N 1 0 297.424 2.917 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034204 641564809 /nfs/dbraw/zinc/56/48/09/641564809.db2.gz IOSVYQAMKMUZHZ-QMTHXVAHSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C[C@H](C)O ZINC000872037183 641569738 /nfs/dbraw/zinc/56/97/38/641569738.db2.gz BUNZXEAIMLNOON-VWYCJHECSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872037181 641569884 /nfs/dbraw/zinc/56/98/84/641569884.db2.gz BUNZXEAIMLNOON-GARJFASQSA-N 1 0 284.331 2.792 20 5 CFBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049562 641583288 /nfs/dbraw/zinc/58/32/88/641583288.db2.gz STGDBRQQHSEHFU-JOYOIKCWSA-N 1 0 282.315 2.546 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872052796 641587055 /nfs/dbraw/zinc/58/70/55/641587055.db2.gz UIEOHIHFUZFOCQ-HOCLYGCPSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872064145 641596823 /nfs/dbraw/zinc/59/68/23/641596823.db2.gz CKDRGBFSNHUEIC-GMXVVIOVSA-N 1 0 296.342 2.936 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000872079636 641612639 /nfs/dbraw/zinc/61/26/39/641612639.db2.gz JUIQBNPVHSSHDY-RULNRJAQSA-N 1 0 296.392 2.881 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089758 641623528 /nfs/dbraw/zinc/62/35/28/641623528.db2.gz DLVMDNFPMPQQPV-GUBZILKMSA-N 1 0 268.288 2.562 20 5 CFBDRO O=[N+]([O-])c1cccc(CNc2cc[nH+]cc2C2CC2)c1 ZINC000872429100 641807696 /nfs/dbraw/zinc/80/76/96/641807696.db2.gz YTUOVDXIOAWDDB-UHFFFAOYSA-N 1 0 269.304 2.901 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N(C)CCCCCC[NH3+] ZINC000872785011 641938937 /nfs/dbraw/zinc/93/89/37/641938937.db2.gz ZIMOEGDZRDGEGH-UHFFFAOYSA-N 1 0 281.356 2.559 20 5 CFBDRO CC[NH+]1CCC(NCc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873009226 641983621 /nfs/dbraw/zinc/98/36/21/641983621.db2.gz ZMGHOXYXZZXXLF-UHFFFAOYSA-N 1 0 291.395 2.786 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCCCC1 ZINC000873033664 641991270 /nfs/dbraw/zinc/99/12/70/641991270.db2.gz IEPSIDJUASDRHZ-UHFFFAOYSA-N 1 0 292.379 2.996 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000873048311 641994794 /nfs/dbraw/zinc/99/47/94/641994794.db2.gz WHOPVLLICIEHSY-CQSZACIVSA-N 1 0 291.395 2.643 20 5 CFBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873052358 641996569 /nfs/dbraw/zinc/99/65/69/641996569.db2.gz WHIPBFUQRKAUEX-IAQYHMDHSA-N 1 0 280.368 2.790 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC[C@H]1C ZINC000873064712 642000634 /nfs/dbraw/zinc/00/06/34/642000634.db2.gz GKFMJLJDDRRZRB-CYBMUJFWSA-N 1 0 291.395 2.786 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873101782 642014229 /nfs/dbraw/zinc/01/42/29/642014229.db2.gz YLNGARFTOCEYSF-DZGCQCFKSA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCC(F)F ZINC000873113000 642014888 /nfs/dbraw/zinc/01/48/88/642014888.db2.gz MLEMLOVEDAJAKD-UHFFFAOYSA-N 1 0 288.294 2.583 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000873129690 642021968 /nfs/dbraw/zinc/02/19/68/642021968.db2.gz QKTTXTVMIBLVRR-XJKSGUPXSA-N 1 0 292.379 2.852 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873133110 642023187 /nfs/dbraw/zinc/02/31/87/642023187.db2.gz CSVXBWSGKQLORZ-SMDDNHRTSA-N 1 0 280.368 2.790 20 5 CFBDRO COCC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873133577 642023993 /nfs/dbraw/zinc/02/39/93/642023993.db2.gz SPJUUOKPTWHQOE-UHFFFAOYSA-N 1 0 278.352 2.728 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)COCC2CC2)cccc1[N+](=O)[O-] ZINC000873133567 642024310 /nfs/dbraw/zinc/02/43/10/642024310.db2.gz SHETUPGEGRMGKW-NSHDSACASA-N 1 0 278.352 2.808 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873144061 642029804 /nfs/dbraw/zinc/02/98/04/642029804.db2.gz RWMOAYPPRCDUJD-KGLIPLIRSA-N 1 0 264.325 2.560 20 5 CFBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873152398 642033866 /nfs/dbraw/zinc/03/38/66/642033866.db2.gz OILHJVNRGVPZTO-AAEUAGOBSA-N 1 0 280.368 2.851 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229715 642081154 /nfs/dbraw/zinc/08/11/54/642081154.db2.gz FCRPHXPPKBTDKK-KGLIPLIRSA-N 1 0 295.770 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000084440104 650774301 /nfs/dbraw/zinc/77/43/01/650774301.db2.gz PEEXFFGGYVTKCI-LBPRGKRZSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC[C@@H]1CCO1)C2 ZINC000876739855 642987973 /nfs/dbraw/zinc/98/79/73/642987973.db2.gz KJWKRFYAYPTOOP-CYBMUJFWSA-N 1 0 276.336 2.522 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876916336 643062971 /nfs/dbraw/zinc/06/29/71/643062971.db2.gz RCJZZEWWSGEQSV-IALDZJHCSA-N 1 0 278.356 2.663 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876970086 643087369 /nfs/dbraw/zinc/08/73/69/643087369.db2.gz INSHVBTXGUCNNY-DMOGRIERSA-N 1 0 266.345 2.519 20 5 CFBDRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876972737 643088193 /nfs/dbraw/zinc/08/81/93/643088193.db2.gz ZAMPMTKLCZEBGL-KBHBFKLGSA-N 1 0 292.383 2.911 20 5 CFBDRO Cc1ccsc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876987114 643093266 /nfs/dbraw/zinc/09/32/66/643093266.db2.gz SEKYGMSVQXIBSC-UHFFFAOYSA-N 1 0 292.364 2.655 20 5 CFBDRO CC(C)C[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877112780 643157654 /nfs/dbraw/zinc/15/76/54/643157654.db2.gz ZJZAPPJETWFABD-UNXYVOJBSA-N 1 0 266.345 2.519 20 5 CFBDRO CCOCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877172606 643188923 /nfs/dbraw/zinc/18/89/23/643188923.db2.gz USJIIAJUVXEZPW-UHFFFAOYSA-N 1 0 266.341 2.680 20 5 CFBDRO C[C@H]([NH2+]CCC[C@@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000877557384 643358468 /nfs/dbraw/zinc/35/84/68/643358468.db2.gz LJFKJGFBFSDYTB-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000877577571 643374659 /nfs/dbraw/zinc/37/46/59/643374659.db2.gz WWJBZISIYAAPHM-AWEZNQCLSA-N 1 0 292.379 2.806 20 5 CFBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000877604837 643392127 /nfs/dbraw/zinc/39/21/27/643392127.db2.gz HOTBEMLTPGGRDP-OAHLLOKOSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1ccc(C[NH+]2CCC(C(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000877754798 643533709 /nfs/dbraw/zinc/53/37/09/643533709.db2.gz TVDOOAMABVSFCV-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H](O)C2CCCC2)cc1 ZINC000877777910 643553943 /nfs/dbraw/zinc/55/39/43/643553943.db2.gz ICTCWKAPVKQZDI-INIZCTEOSA-N 1 0 292.379 2.668 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000126727978 643587558 /nfs/dbraw/zinc/58/75/58/643587558.db2.gz YTKDQZDRVIIBKW-BXUZGUMPSA-N 1 0 290.319 2.880 20 5 CFBDRO CC(C)(O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877835346 643602247 /nfs/dbraw/zinc/60/22/47/643602247.db2.gz PKSULHPASVZALB-HZRUHFOJSA-N 1 0 290.363 2.701 20 5 CFBDRO CCCC[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877900291 643630666 /nfs/dbraw/zinc/63/06/66/643630666.db2.gz IDPNMVSFLOTVAD-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CCF)CC2)c1 ZINC000879209880 644177338 /nfs/dbraw/zinc/17/73/38/644177338.db2.gz VVLGVKOHQRIRDU-OAHLLOKOSA-N 1 0 296.342 2.700 20 5 CFBDRO C=C/C=C/CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879271973 644202481 /nfs/dbraw/zinc/20/24/81/644202481.db2.gz JSKJYNGORMFHSU-MBVDDHJVSA-N 1 0 276.336 2.524 20 5 CFBDRO CO[C@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000879319672 644224082 /nfs/dbraw/zinc/22/40/82/644224082.db2.gz DEAQJNRLSYFWQF-WFASDCNBSA-N 1 0 278.352 2.637 20 5 CFBDRO COc1ccc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000879322522 644227874 /nfs/dbraw/zinc/22/78/74/644227874.db2.gz WLFSFIMLBBNETE-DGCLKSJQSA-N 1 0 294.351 2.603 20 5 CFBDRO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000879324716 644231433 /nfs/dbraw/zinc/23/14/33/644231433.db2.gz FGLIZNPVKCYBRU-JSGCOSHPSA-N 1 0 278.352 2.903 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000879328178 644233542 /nfs/dbraw/zinc/23/35/42/644233542.db2.gz YJAOIGCJRPZFHN-BXUZGUMPSA-N 1 0 294.351 2.603 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879530655 644308769 /nfs/dbraw/zinc/30/87/69/644308769.db2.gz VUZIOXXBSDFDQP-IJEWVQPXSA-N 1 0 288.347 2.526 20 5 CFBDRO C[C@H]1CC[NH2+][C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000127934880 644378667 /nfs/dbraw/zinc/37/86/67/644378667.db2.gz IBSFIRQHGHICPZ-JOYOIKCWSA-N 1 0 288.307 2.705 20 5 CFBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879962629 644478698 /nfs/dbraw/zinc/47/86/98/644478698.db2.gz VFZCUXNGFPQNEK-LLVKDONJSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000880141242 644551415 /nfs/dbraw/zinc/55/14/15/644551415.db2.gz OJINHVAUIQXVIX-GJZGRUSLSA-N 1 0 289.379 2.572 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cs1 ZINC000880513025 644745612 /nfs/dbraw/zinc/74/56/12/644745612.db2.gz WEAZCYHTTCDIQC-YPMHNXCESA-N 1 0 282.365 2.848 20 5 CFBDRO CC(=O)c1c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882016734 645177208 /nfs/dbraw/zinc/17/72/08/645177208.db2.gz AMYSMECTDMMHMV-CMPLNLGQSA-N 1 0 291.351 2.692 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000251525947 650989682 /nfs/dbraw/zinc/98/96/82/650989682.db2.gz LVTACBFRRPMUOU-DDTOSNHZSA-N 1 0 264.325 2.813 20 5 CFBDRO CCN1CC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000882958632 645529319 /nfs/dbraw/zinc/52/93/19/645529319.db2.gz GHQNKMIHVBMBLT-SECBINFHSA-N 1 0 299.758 2.763 20 5 CFBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000882961857 645532117 /nfs/dbraw/zinc/53/21/17/645532117.db2.gz ZNMIPEKDMXNQBH-LLVKDONJSA-N 1 0 286.335 2.649 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000883126268 645615239 /nfs/dbraw/zinc/61/52/39/645615239.db2.gz KUWGBQRCYFQIGG-ZDUSSCGKSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000097507035 651030368 /nfs/dbraw/zinc/03/03/68/651030368.db2.gz KFQIFVQQSNJSAL-ZDUSSCGKSA-N 1 0 278.356 2.794 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C=CCC2)n1 ZINC000883245409 645692899 /nfs/dbraw/zinc/69/28/99/645692899.db2.gz LBGPXFBHBUWVAA-MELADBBJSA-N 1 0 290.367 2.831 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C=CCC2)n1 ZINC000883245407 645693167 /nfs/dbraw/zinc/69/31/67/645693167.db2.gz LBGPXFBHBUWVAA-BFHYXJOUSA-N 1 0 290.367 2.831 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883245727 645693331 /nfs/dbraw/zinc/69/33/31/645693331.db2.gz QHQMZKGSDCJYLR-QWRGUYRKSA-N 1 0 261.325 2.794 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000883354644 645759358 /nfs/dbraw/zinc/75/93/58/645759358.db2.gz ADQRNZDPZQMHTO-GDBMZVCRSA-N 1 0 289.379 2.656 20 5 CFBDRO O=C(OCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000800084570 646129396 /nfs/dbraw/zinc/12/93/96/646129396.db2.gz MQIUTCTUGMQVQF-UHFFFAOYSA-N 1 0 292.335 2.628 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000800174915 646170975 /nfs/dbraw/zinc/17/09/75/646170975.db2.gz HPHWSVQCQSJUCI-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[N@H+]1C ZINC000135271360 646501948 /nfs/dbraw/zinc/50/19/48/646501948.db2.gz AFOHRKYORQPVSI-PHIMTYICSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000884855879 646560464 /nfs/dbraw/zinc/56/04/64/646560464.db2.gz SXKZHWFNMQIREB-CYBMUJFWSA-N 1 0 298.346 2.705 20 5 CFBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885937620 646774797 /nfs/dbraw/zinc/77/47/97/646774797.db2.gz FNANBYAPHHVKNX-GOEBONIOSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1coc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000886002043 646806512 /nfs/dbraw/zinc/80/65/12/646806512.db2.gz PFFYUVOEUADZOQ-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO Cn1cccc1[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886046861 646840893 /nfs/dbraw/zinc/84/08/93/646840893.db2.gz RAQOFHSTUASVTP-CQSZACIVSA-N 1 0 286.335 2.665 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000886111557 646876866 /nfs/dbraw/zinc/87/68/66/646876866.db2.gz DPBQSCMIJUDOEX-DUVNUKRYSA-N 1 0 290.363 2.980 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000886111556 646877352 /nfs/dbraw/zinc/87/73/52/646877352.db2.gz DPBQSCMIJUDOEX-BJJXKVORSA-N 1 0 290.363 2.980 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886125186 646883572 /nfs/dbraw/zinc/88/35/72/646883572.db2.gz KUFDFNAPYSIKKO-GFCCVEGCSA-N 1 0 263.341 2.858 20 5 CFBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886166990 646904586 /nfs/dbraw/zinc/90/45/86/646904586.db2.gz XNQJMKGWMPNHBY-IJLUTSLNSA-N 1 0 263.341 2.856 20 5 CFBDRO CCC1(CC)[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C[C@@H]1OC ZINC000886171591 646906265 /nfs/dbraw/zinc/90/62/65/646906265.db2.gz JZBYHUVXGQFGQH-STQMWFEESA-N 1 0 293.367 2.673 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000886268898 646942502 /nfs/dbraw/zinc/94/25/02/646942502.db2.gz FHYBPKPQAQMDSJ-GFCCVEGCSA-N 1 0 283.278 2.611 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886315446 646965655 /nfs/dbraw/zinc/96/56/55/646965655.db2.gz MQCZPMIVZITJOW-LALPHHSUSA-N 1 0 276.336 2.672 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000886625338 647075229 /nfs/dbraw/zinc/07/52/29/647075229.db2.gz NZENEQSCHLWKBM-HZPDHXFCSA-N 1 0 290.363 2.640 20 5 CFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886650327 647088510 /nfs/dbraw/zinc/08/85/10/647088510.db2.gz UMARLWYJPSUESK-GRYCIOLGSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000886815669 647149104 /nfs/dbraw/zinc/14/91/04/647149104.db2.gz HXYBGIMZOHXOSN-GDBMZVCRSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000886834734 647157690 /nfs/dbraw/zinc/15/76/90/647157690.db2.gz CCKKFKHYUUGWIM-ZBFHGGJFSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CCC2)cc1 ZINC000886973947 647186604 /nfs/dbraw/zinc/18/66/04/647186604.db2.gz IDSWYMPDTCJYPF-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCF ZINC000887139947 647228348 /nfs/dbraw/zinc/22/83/48/647228348.db2.gz KSDQANDFCDCKJV-UHFFFAOYSA-N 1 0 297.330 2.523 20 5 CFBDRO C[C@@H](N)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925496673 647883661 /nfs/dbraw/zinc/88/36/61/647883661.db2.gz RZQBOLATNSNDEL-DYVFJYSZSA-N 1 0 299.374 2.815 20 5 CFBDRO C[C@@H]1CC2(CC([NH2+]CCc3ccccc3[N+](=O)[O-])C2)CO1 ZINC000925151869 648117707 /nfs/dbraw/zinc/11/77/07/648117707.db2.gz DXSWBGCUYCFYCU-XEBKBJJBSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000925742209 648306478 /nfs/dbraw/zinc/30/64/78/648306478.db2.gz QELFIXYSFGELPF-NSHDSACASA-N 1 0 265.357 2.681 20 5 CFBDRO CC(C)([NH3+])CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925742281 648306591 /nfs/dbraw/zinc/30/65/91/648306591.db2.gz RSHRVXHHUHUCDG-CQSZACIVSA-N 1 0 291.395 2.633 20 5 CFBDRO Cc1c(C[NH2+][C@@H](C)c2ccnnc2)cccc1[N+](=O)[O-] ZINC000926271789 648452767 /nfs/dbraw/zinc/45/27/67/648452767.db2.gz SRQJGQGCLMTTKQ-NSHDSACASA-N 1 0 272.308 2.544 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000926493225 648508487 /nfs/dbraw/zinc/50/84/87/648508487.db2.gz PXACTRDBWWKXAM-RMIALFOJSA-N 1 0 264.325 2.669 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000926892907 648648499 /nfs/dbraw/zinc/64/84/99/648648499.db2.gz PXACTRDBWWKXAM-BBGACYKPSA-N 1 0 264.325 2.669 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000927026249 648687300 /nfs/dbraw/zinc/68/73/00/648687300.db2.gz ZVLCSPVTOWPCOL-WCQYABFASA-N 1 0 296.367 2.805 20 5 CFBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000927028814 648687801 /nfs/dbraw/zinc/68/78/01/648687801.db2.gz RGMFYTAPRWAXQF-BXUZGUMPSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930239241 649212069 /nfs/dbraw/zinc/21/20/69/649212069.db2.gz UZFAMUPEZHZBRN-WQAKAFBOSA-N 1 0 268.744 2.903 20 5 CFBDRO O=[N+]([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000930449841 649250171 /nfs/dbraw/zinc/25/01/71/649250171.db2.gz GLQSWSIIENYTPQ-RBSFLKMASA-N 1 0 260.337 2.531 20 5 CFBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)nn1 ZINC000930593075 649282479 /nfs/dbraw/zinc/28/24/79/649282479.db2.gz CHIJPCKRTSBJHM-NSHDSACASA-N 1 0 286.335 2.852 20 5 CFBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000930723017 649315729 /nfs/dbraw/zinc/31/57/29/649315729.db2.gz SOUHZVMRERCHKA-OAHLLOKOSA-N 1 0 292.379 2.537 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000931100416 649379718 /nfs/dbraw/zinc/37/97/18/649379718.db2.gz QAJZWCYIFXDANF-UHFFFAOYSA-N 1 0 288.269 2.951 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432669 649425586 /nfs/dbraw/zinc/42/55/86/649425586.db2.gz ZBZJKXRYLCKDGG-VHDGCEQUSA-N 1 0 289.379 2.539 20 5 CFBDRO COC/C(C)=C\C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932176835 649559411 /nfs/dbraw/zinc/55/94/11/649559411.db2.gz NNJJFPWJWRLMBB-NXIHDVOMSA-N 1 0 264.325 2.838 20 5 CFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932178308 649559659 /nfs/dbraw/zinc/55/96/59/649559659.db2.gz YWVHXJWOLUDIAA-MISXGVKJSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391119 649691100 /nfs/dbraw/zinc/69/11/00/649691100.db2.gz FQUXCAKNNZWRER-XHDPSFHLSA-N 1 0 292.310 2.535 20 5 CFBDRO CCCCC1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934205591 649760824 /nfs/dbraw/zinc/76/08/24/649760824.db2.gz OWXQYUDQZAIJGI-AWEZNQCLSA-N 1 0 278.352 2.941 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934227229 649763627 /nfs/dbraw/zinc/76/36/27/649763627.db2.gz NMZPZGFWZFNLHT-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000934233248 649765232 /nfs/dbraw/zinc/76/52/32/649765232.db2.gz IMIGLZOHMUVFQQ-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO CSCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000934667728 649813832 /nfs/dbraw/zinc/81/38/32/649813832.db2.gz PTNOWZUTBDBFKL-UHFFFAOYSA-N 1 0 294.380 2.702 20 5 CFBDRO C[N@@H+]1CCc2ncc(Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC001204416271 769850567 /nfs/dbraw/zinc/85/05/67/769850567.db2.gz TZGIKIQEXCJGCZ-UHFFFAOYSA-N 1 0 284.319 2.721 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001167278631 770200208 /nfs/dbraw/zinc/20/02/08/770200208.db2.gz PAOQHMXBSJTVOW-NTYUQYKDSA-N 1 0 281.743 2.703 20 5 CFBDRO CC[N+](C)(C)Cc1ccccc1N[C@@](C)(C(N)=O)C(C)C ZINC001167414843 770441740 /nfs/dbraw/zinc/44/17/40/770441740.db2.gz AEJCIXZWGNLGMM-QGZVFWFLSA-O 1 0 292.447 2.595 20 5 CFBDRO Cn1c[nH+]cc1Nc1cc2nc3ccccc3nc2cc1N ZINC001211250270 770465751 /nfs/dbraw/zinc/46/57/51/770465751.db2.gz LYCXUUWWLPLEQX-UHFFFAOYSA-N 1 0 290.330 2.842 20 5 CFBDRO [NH3+]Cc1cccn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167600226 770966704 /nfs/dbraw/zinc/96/67/04/770966704.db2.gz MGQSUFCIRWOWGO-UHFFFAOYSA-N 1 0 267.288 2.997 20 5 CFBDRO O=[N+]([O-])c1ccc(CCOC2CC[NH+](C3CC3)CC2)cc1 ZINC001224331644 775159631 /nfs/dbraw/zinc/15/96/31/775159631.db2.gz QTSPISYOLHHQAM-UHFFFAOYSA-N 1 0 290.363 2.781 20 5 CFBDRO O=[N+]([O-])c1ccc(CCOC2CC[NH+](CCF)CC2)cc1 ZINC001224332474 775161110 /nfs/dbraw/zinc/16/11/10/775161110.db2.gz YDMMYAAHSSMAQA-UHFFFAOYSA-N 1 0 296.342 2.588 20 5 CFBDRO COc1ccc2c(c1)CC[C@@H](OCCC[N+](C)(C)C)C2 ZINC001224621628 775229663 /nfs/dbraw/zinc/22/96/63/775229663.db2.gz YGCVIUOGCGYNRA-QGZVFWFLSA-N 1 0 278.416 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](OCCC[NH+]1CCCC1)C2 ZINC001224749212 775265355 /nfs/dbraw/zinc/26/53/55/775265355.db2.gz ZNEWZTBJQTWUCY-MRXNPFEDSA-N 1 0 290.363 2.565 20 5 CFBDRO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926953 775284668 /nfs/dbraw/zinc/28/46/68/775284668.db2.gz PVBRRMPJKXCQHN-OCCSQVGLSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OC[C@@H](C)COCc1ccccc1 ZINC001225004352 775331271 /nfs/dbraw/zinc/33/12/71/775331271.db2.gz PQGKHRYPACODSL-JKSUJKDBSA-N 1 0 280.432 2.951 20 5 CFBDRO Cc1ccccc1OCCCO[C@@H](C)C[N+](C)(C)C ZINC001225013929 775334178 /nfs/dbraw/zinc/33/41/78/775334178.db2.gz GZYIVNOIJIBWDQ-HNNXBMFYSA-N 1 0 266.405 2.875 20 5 CFBDRO CCN(CC)C(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001225320484 775409572 /nfs/dbraw/zinc/40/95/72/775409572.db2.gz ZXDOQSJMUXMNSP-AWEZNQCLSA-N 1 0 293.431 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1Cl ZINC001217980132 775416426 /nfs/dbraw/zinc/41/64/26/775416426.db2.gz KHUUXTUAQLUOPX-JQWIXIFHSA-N 1 0 288.706 2.717 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1cc[nH]n1 ZINC001225367176 775430792 /nfs/dbraw/zinc/43/07/92/775430792.db2.gz RAMCNGWKCXZIEO-GFCCVEGCSA-N 1 0 260.361 2.550 20 5 CFBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218033378 775454643 /nfs/dbraw/zinc/45/46/43/775454643.db2.gz DLSCEVQSJYQHJO-RDDDGLTNSA-N 1 0 290.241 2.600 20 5 CFBDRO Cc1cccc(O[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225631044 775533639 /nfs/dbraw/zinc/53/36/39/775533639.db2.gz CKPMAGUCSJRNGV-GFCCVEGCSA-N 1 0 264.325 2.765 20 5 CFBDRO CC(=O)CCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001225696113 775562153 /nfs/dbraw/zinc/56/21/53/775562153.db2.gz OBGQUSVAXMGNEF-CQSZACIVSA-N 1 0 264.389 2.682 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)ccc1O ZINC001225701107 775564614 /nfs/dbraw/zinc/56/46/14/775564614.db2.gz XPEDPJUKWOLUCK-VIFPVBQESA-O 1 0 289.193 2.628 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc([N+](=O)[O-])c1F ZINC001225797541 775597376 /nfs/dbraw/zinc/59/73/76/775597376.db2.gz WPGFUXDHPUYZJO-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO CCOC(=O)c1c(C)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001225810202 775601029 /nfs/dbraw/zinc/60/10/29/775601029.db2.gz LWQVPUDZOBNUOH-ZDUSSCGKSA-N 1 0 280.388 2.645 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1C(F)(F)F ZINC001225837968 775609807 /nfs/dbraw/zinc/60/98/07/775609807.db2.gz HXYKZSRBCFZZEY-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(F)c1 ZINC001225877455 775620013 /nfs/dbraw/zinc/62/00/13/775620013.db2.gz XCGUAWNOAOQFCU-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000293348605 775621638 /nfs/dbraw/zinc/62/16/38/775621638.db2.gz ZDXYAIZFYRAOMW-NSHDSACASA-N 1 0 298.770 2.843 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904488 775629622 /nfs/dbraw/zinc/62/96/22/775629622.db2.gz DXMJLCBZEROJOV-SNVBAGLBSA-N 1 0 270.304 2.843 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225941773 775642569 /nfs/dbraw/zinc/64/25/69/775642569.db2.gz KIOOPEAACOORJL-UMSPYCQHSA-N 1 0 282.315 2.986 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)cccc1[N+](=O)[O-])C2 ZINC001226008091 775665719 /nfs/dbraw/zinc/66/57/19/775665719.db2.gz YACCVLWZVNDIKD-URLYPYJESA-N 1 0 280.299 2.738 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2csnn2)cc1 ZINC001226012067 775667550 /nfs/dbraw/zinc/66/75/50/775667550.db2.gz RLDFACHVVBHGMY-NSHDSACASA-N 1 0 278.401 2.679 20 5 CFBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001226033075 775674770 /nfs/dbraw/zinc/67/47/70/775674770.db2.gz MIXYYPKLXUETBD-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1CCCC2=O ZINC001226040330 775677787 /nfs/dbraw/zinc/67/77/87/775677787.db2.gz BMGNKGGNFSVCGV-GFCCVEGCSA-N 1 0 262.373 2.679 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226254548 775757727 /nfs/dbraw/zinc/75/77/27/775757727.db2.gz AQIYNDKHUMCDCY-JTQLQIEISA-N 1 0 285.731 2.506 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ncc([N+](=O)[O-])cc1Cl ZINC001226256838 775757999 /nfs/dbraw/zinc/75/79/99/775757999.db2.gz YYMHYXLEIBJNJU-VIFPVBQESA-N 1 0 287.747 2.752 20 5 CFBDRO C[NH+](C)C1CCC(Oc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001226266143 775761782 /nfs/dbraw/zinc/76/17/82/775761782.db2.gz PPHKPNLNPFNGJH-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(Cl)ccc1[N+](=O)[O-])C2 ZINC001226365691 775792591 /nfs/dbraw/zinc/79/25/91/775792591.db2.gz FGTIFSQZSKAKBP-ILWJIGKKSA-N 1 0 297.742 2.647 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccc(F)cc21 ZINC001226372075 775793181 /nfs/dbraw/zinc/79/31/81/775793181.db2.gz JOMHAPQXEMCQGD-VIFPVBQESA-N 1 0 298.769 2.896 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001226531805 775862669 /nfs/dbraw/zinc/86/26/69/775862669.db2.gz NNFQEYFQAQNBDR-ZDUSSCGKSA-N 1 0 292.335 2.659 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(F)cc([N+](=O)[O-])cc1F ZINC001226744544 775943720 /nfs/dbraw/zinc/94/37/20/775943720.db2.gz RAXSVNGNYWYOHZ-SECBINFHSA-N 1 0 288.294 2.982 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c(F)cc([N+](=O)[O-])cc1F ZINC001226744561 775943990 /nfs/dbraw/zinc/94/39/90/775943990.db2.gz RAXSVNGNYWYOHZ-VIFPVBQESA-N 1 0 288.294 2.982 20 5 CFBDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC001226950395 776031104 /nfs/dbraw/zinc/03/11/04/776031104.db2.gz IZUPIYXVKMTUAR-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001226997486 776054422 /nfs/dbraw/zinc/05/44/22/776054422.db2.gz XAWOTVRFPRDHCN-CYBMUJFWSA-N 1 0 264.325 2.765 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001227061825 776080695 /nfs/dbraw/zinc/08/06/95/776080695.db2.gz AWRGGFUVWFNYNR-GFCCVEGCSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1sc2ncnc(O[C@@H](C)C[N+](C)(C)C)c2c1C ZINC001227082296 776087948 /nfs/dbraw/zinc/08/79/48/776087948.db2.gz MQGKNINKEYKHSU-VIFPVBQESA-N 1 0 280.417 2.782 20 5 CFBDRO CCc1cc2c(ncnc2O[C@H](C)C[N+](C)(C)C)s1 ZINC001227100194 776095032 /nfs/dbraw/zinc/09/50/32/776095032.db2.gz FCAPADINYKZATL-SNVBAGLBSA-N 1 0 280.417 2.727 20 5 CFBDRO C[N@@H+]1CC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227211404 776138951 /nfs/dbraw/zinc/13/89/51/776138951.db2.gz PCRZODHQKKRHDF-GFCCVEGCSA-N 1 0 272.304 2.831 20 5 CFBDRO Cc1cnc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001227237627 776150545 /nfs/dbraw/zinc/15/05/45/776150545.db2.gz WQIUHOIEDPLJTQ-GFCCVEGCSA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1cnc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001227237653 776151490 /nfs/dbraw/zinc/15/14/90/776151490.db2.gz WXCAMNJCCQHJHQ-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO CC(=O)c1cccc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001227343560 776180458 /nfs/dbraw/zinc/18/04/58/776180458.db2.gz QNIYUDQPOXJLKB-SNVBAGLBSA-N 1 0 254.325 2.502 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1c(OC)cccc1[N+](=O)[O-] ZINC001227694843 776260544 /nfs/dbraw/zinc/26/05/44/776260544.db2.gz BRHNRCSPNSDICN-LLVKDONJSA-N 1 0 282.340 2.713 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001227702686 776263886 /nfs/dbraw/zinc/26/38/86/776263886.db2.gz YNRRAACHAOYGIB-HAQNSBGRSA-N 1 0 294.351 2.855 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cnccc1C(F)(F)F ZINC001227709005 776263912 /nfs/dbraw/zinc/26/39/12/776263912.db2.gz BHOQAUUHGAYCOY-VIFPVBQESA-N 1 0 263.283 2.574 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791064 776306985 /nfs/dbraw/zinc/30/69/85/776306985.db2.gz IMJGRZBBEYEIQS-HNNXBMFYSA-N 1 0 278.352 2.984 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccn(-c2ccc(Cl)cc2)n1 ZINC001228003092 776357335 /nfs/dbraw/zinc/35/73/35/776357335.db2.gz QFDPHCFAIMDSBQ-GFCCVEGCSA-N 1 0 294.806 2.999 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228054816 776379047 /nfs/dbraw/zinc/37/90/47/776379047.db2.gz PIISVPWYXSBUMW-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO CC(=O)c1c(F)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001228101271 776397128 /nfs/dbraw/zinc/39/71/28/776397128.db2.gz ZYOBWNLSEIETEC-JTQLQIEISA-N 1 0 254.325 2.502 20 5 CFBDRO Cc1cc(C)c(OC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001228228859 776427716 /nfs/dbraw/zinc/42/77/16/776427716.db2.gz CISQUWKXGJRZKX-UHFFFAOYSA-N 1 0 264.325 2.685 20 5 CFBDRO Cc1cc(Br)ncc1O[C@@H](C)C[N+](C)(C)C ZINC001228706030 776579304 /nfs/dbraw/zinc/57/93/04/776579304.db2.gz MRNSGFOOFUWMMT-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2c3ccccc3[nH]c21 ZINC001228782910 776610597 /nfs/dbraw/zinc/61/05/97/776610597.db2.gz HUNVCHJWSRNZNP-LLVKDONJSA-N 1 0 285.371 2.585 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001228915465 776657762 /nfs/dbraw/zinc/65/77/62/776657762.db2.gz FFCVXMIJCZAMFI-ZDUSSCGKSA-N 1 0 264.325 2.765 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)cc(Cl)n1 ZINC001229043107 776697301 /nfs/dbraw/zinc/69/73/01/776697301.db2.gz ADFGMEXGXDOKJN-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO O=[N+]([O-])/C=C/c1ccc(OC2CC[NH+](C3CC3)CC2)cc1 ZINC001229115067 776722301 /nfs/dbraw/zinc/72/23/01/776722301.db2.gz PIGOCWUWDHUDIM-KPKJPENVSA-N 1 0 288.347 2.940 20 5 CFBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001229197422 776749330 /nfs/dbraw/zinc/74/93/30/776749330.db2.gz GPXIIUCBHHJHRN-LBPRGKRZSA-N 1 0 282.315 2.904 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001229375878 776793254 /nfs/dbraw/zinc/79/32/54/776793254.db2.gz AIRVXMDLVUTLSK-ZDUSSCGKSA-N 1 0 282.727 2.721 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001229485606 776827105 /nfs/dbraw/zinc/82/71/05/776827105.db2.gz BWAZTASCDSJFPH-LLVKDONJSA-N 1 0 291.307 2.599 20 5 CFBDRO N=C(Nc1ncnc2cc3ccccc3cc21)SCC[NH3+] ZINC001167914793 776841011 /nfs/dbraw/zinc/84/10/11/776841011.db2.gz ZWLWWMDUDMMRDT-UHFFFAOYSA-N 1 0 297.387 2.822 20 5 CFBDRO C[C@H](c1cccc(O[C@@H](C[N+](=O)[O-])C2CC2)c1)[NH+](C)C ZINC001229627315 776859447 /nfs/dbraw/zinc/85/94/47/776859447.db2.gz OYNVQAOGEVIFDS-ABAIWWIYSA-N 1 0 278.352 2.743 20 5 CFBDRO Cc1cc(O)c(C)c(C)c1O[C@H](C)C[N+](C)(C)C ZINC001229771595 776890791 /nfs/dbraw/zinc/89/07/91/776890791.db2.gz KOSYTTFCZRYTMW-LLVKDONJSA-O 1 0 252.378 2.791 20 5 CFBDRO Cc1ncc(O[C@@H](C)C[N+](C)(C)C)cc1Br ZINC001229892008 776911789 /nfs/dbraw/zinc/91/17/89/776911789.db2.gz YAVJAKPCKZYIOK-VIFPVBQESA-N 1 0 288.209 2.626 20 5 CFBDRO COC(=O)c1c(C)cc(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001230307157 776976072 /nfs/dbraw/zinc/97/60/72/776976072.db2.gz AKOBJTOIJLENGV-CYBMUJFWSA-N 1 0 280.388 2.564 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230312882 776977439 /nfs/dbraw/zinc/97/74/39/776977439.db2.gz NIPHKDMJKLHTHF-JTQLQIEISA-N 1 0 297.311 2.612 20 5 CFBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001230471846 776996469 /nfs/dbraw/zinc/99/64/69/776996469.db2.gz SLJYCZHIBGYTMA-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230878302 777079937 /nfs/dbraw/zinc/07/99/37/777079937.db2.gz DBULAKDSXLGONC-MGCOHNPYSA-N 1 0 299.758 2.895 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230917850 777092479 /nfs/dbraw/zinc/09/24/79/777092479.db2.gz KPMBSKBGLJLLPU-VIFPVBQESA-N 1 0 270.716 2.721 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH2+]CC[C@H]1C ZINC000710785073 777113561 /nfs/dbraw/zinc/11/35/61/777113561.db2.gz MXODXOYKPVCNIJ-YMTOWFKASA-N 1 0 264.325 2.588 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC001233498240 777970622 /nfs/dbraw/zinc/97/06/22/777970622.db2.gz KFNHIRMNUINXBM-CYBMUJFWSA-N 1 0 292.335 2.661 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(F)c([N+](=O)[O-])c(F)c1)C2 ZINC001233751254 778064814 /nfs/dbraw/zinc/06/48/14/778064814.db2.gz RZMKIKHRBWTNCS-ILWJIGKKSA-N 1 0 298.289 2.877 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777418 778074876 /nfs/dbraw/zinc/07/48/76/778074876.db2.gz AFKNJDRLNLXZCU-LLVKDONJSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233836659 778093149 /nfs/dbraw/zinc/09/31/49/778093149.db2.gz QCJLAQZOYOHPFJ-NSHDSACASA-N 1 0 290.343 2.617 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000697387777 778204991 /nfs/dbraw/zinc/20/49/91/778204991.db2.gz XXUADIFXKPRJDS-CQSZACIVSA-N 1 0 276.336 2.551 20 5 CFBDRO CC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)ccc1C ZINC001234321249 778208154 /nfs/dbraw/zinc/20/81/54/778208154.db2.gz GPJJZZGJFJXTJI-LBPRGKRZSA-N 1 0 250.362 2.671 20 5 CFBDRO CC1(Nc2ccc3cnccc3c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168185558 778226791 /nfs/dbraw/zinc/22/67/91/778226791.db2.gz IUJZLHIGJQTZOD-UHFFFAOYSA-N 1 0 286.335 2.697 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cc(Cl)cc1F ZINC001234443887 778227136 /nfs/dbraw/zinc/22/71/36/778227136.db2.gz LAUGMHFWUZOBEW-QMMMGPOBSA-O 1 0 262.732 2.658 20 5 CFBDRO CCc1cccc(O[C@H](C)C[N+](C)(C)C)c1OC ZINC001234647650 778274743 /nfs/dbraw/zinc/27/47/43/778274743.db2.gz VSOBQUHZFNLWHZ-GFCCVEGCSA-N 1 0 252.378 2.731 20 5 CFBDRO C[NH+]1CCC(Oc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001234675150 778286495 /nfs/dbraw/zinc/28/64/95/778286495.db2.gz XURAWRJPOOYEEK-UHFFFAOYSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC001234851414 778310483 /nfs/dbraw/zinc/31/04/83/778310483.db2.gz JJPUPYVSANTUMR-OLZOCXBDSA-N 1 0 291.415 2.630 20 5 CFBDRO COC(=O)c1ccc([C@@H](C)O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001223756170 778341185 /nfs/dbraw/zinc/34/11/85/778341185.db2.gz WAUWEHOYNVMIAL-QWHCGFSZSA-N 1 0 280.388 2.646 20 5 CFBDRO COc1c(Cl)ccc(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234961192 778341647 /nfs/dbraw/zinc/34/16/47/778341647.db2.gz CEFPWUGMQYPFBV-VIFPVBQESA-N 1 0 276.759 2.961 20 5 CFBDRO C[C@@H](O[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019828 778396951 /nfs/dbraw/zinc/39/69/51/778396951.db2.gz MVJPJQKTRPSABN-RISCZKNCSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@H](O[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224019827 778396382 /nfs/dbraw/zinc/39/63/82/778396382.db2.gz MVJPJQKTRPSABN-FZMZJTMJSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccnc1Cl ZINC001224619096 778602047 /nfs/dbraw/zinc/60/20/47/778602047.db2.gz KQZKGVYGKWRIOY-LLVKDONJSA-N 1 0 257.785 2.909 20 5 CFBDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699539444 779291300 /nfs/dbraw/zinc/29/13/00/779291300.db2.gz VPGSRKYCAUOMNK-ZANVPECISA-N 1 0 284.743 2.763 20 5 CFBDRO COC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000721917325 779961397 /nfs/dbraw/zinc/96/13/97/779961397.db2.gz WPMBMBXYKYTOGD-CYBMUJFWSA-N 1 0 266.341 2.603 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000701050661 780752126 /nfs/dbraw/zinc/75/21/26/780752126.db2.gz VABYLBGPGZTDHH-LFNDISMMSA-N 1 0 282.315 2.635 20 5 CFBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000702006574 780866416 /nfs/dbraw/zinc/86/64/16/780866416.db2.gz TXSNYKHIELJHJU-WCQYABFASA-N 1 0 266.366 2.887 20 5 CFBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000704521408 781102750 /nfs/dbraw/zinc/10/27/50/781102750.db2.gz BOGSSOJQHHGXTQ-CQSZACIVSA-N 1 0 297.786 2.678 20 5 CFBDRO CSC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000706860065 781206018 /nfs/dbraw/zinc/20/60/18/781206018.db2.gz XFPNRQQNAFKJFF-UHFFFAOYSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@@H](COCC1CC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506987 349433848 /nfs/dbraw/zinc/43/38/48/349433848.db2.gz JGRZFSVSBSOPFQ-XHDPSFHLSA-N 1 0 290.363 2.987 20 5 CFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594507403 349433858 /nfs/dbraw/zinc/43/38/58/349433858.db2.gz LVMBOYLATQNGTB-YWPYICTPSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000594953888 349527259 /nfs/dbraw/zinc/52/72/59/349527259.db2.gz KJCWYSJFYOQQCI-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO CC[C@@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594967310 349534200 /nfs/dbraw/zinc/53/42/00/349534200.db2.gz LSKVKEVBSYSPDU-LLVKDONJSA-N 1 0 294.351 2.892 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000125084024 187168923 /nfs/dbraw/zinc/16/89/23/187168923.db2.gz YOOSPRVVWGSSRW-LLVKDONJSA-N 1 0 292.335 2.693 20 5 CFBDRO CCSC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594983679 349538788 /nfs/dbraw/zinc/53/87/88/349538788.db2.gz BFNNOXVPQXHZOH-UHFFFAOYSA-N 1 0 266.366 2.970 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000594977896 349536990 /nfs/dbraw/zinc/53/69/90/349536990.db2.gz BTAFIMXBZBZMIC-AWEZNQCLSA-N 1 0 292.335 2.740 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000594984876 349538910 /nfs/dbraw/zinc/53/89/10/349538910.db2.gz QGOCFBXAJKTZNE-ZPGIRWSLSA-N 1 0 258.321 2.996 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000594993026 349540903 /nfs/dbraw/zinc/54/09/03/349540903.db2.gz BTWKBYNLRMNHJL-OAHLLOKOSA-N 1 0 278.352 2.890 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C[C@H](C)O ZINC000595010661 349548104 /nfs/dbraw/zinc/54/81/04/349548104.db2.gz WBXJIGVYIBUIOQ-WOPDTQHZSA-N 1 0 296.367 2.661 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CSCCS2)cs1 ZINC000125194404 187174219 /nfs/dbraw/zinc/17/42/19/187174219.db2.gz KSHYGHWZSGRAIN-SECBINFHSA-N 1 0 290.435 2.595 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595010337 349548351 /nfs/dbraw/zinc/54/83/51/349548351.db2.gz VZLDBVLJVOZIEH-GHMZBOCLSA-N 1 0 282.340 2.537 20 5 CFBDRO C[C@H](CSCCF)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595012831 349549428 /nfs/dbraw/zinc/54/94/28/349549428.db2.gz PBSPZOQVETYUEE-LLVKDONJSA-N 1 0 286.372 2.818 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCCSCC2)cc1[N+](=O)[O-] ZINC000595015465 349550399 /nfs/dbraw/zinc/55/03/99/349550399.db2.gz NQJNQCXBFXOUHK-LBPRGKRZSA-N 1 0 296.392 2.979 20 5 CFBDRO C[C@H](CSCCF)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000595014434 349550401 /nfs/dbraw/zinc/55/04/01/349550401.db2.gz PKJXPSORYNTCEW-SNVBAGLBSA-N 1 0 272.345 2.776 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCSCC1 ZINC000595014481 349550420 /nfs/dbraw/zinc/55/04/20/349550420.db2.gz VWZWGVMDWSHUIL-GFCCVEGCSA-N 1 0 296.392 2.979 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000595020073 349552012 /nfs/dbraw/zinc/55/20/12/349552012.db2.gz SXBZKODHFPHZSW-XHDPSFHLSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000595034516 349558112 /nfs/dbraw/zinc/55/81/12/349558112.db2.gz WMRZKIJLNSMRFF-VXGBXAGGSA-N 1 0 294.351 2.681 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000595001455 349544150 /nfs/dbraw/zinc/54/41/50/349544150.db2.gz UQBHCFCZELCFGW-UHFFFAOYSA-N 1 0 279.384 2.805 20 5 CFBDRO CCOCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006601 349545247 /nfs/dbraw/zinc/54/52/47/349545247.db2.gz LOKRRNLCUDJMLX-NSHDSACASA-N 1 0 282.340 2.681 20 5 CFBDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595006042 349545461 /nfs/dbraw/zinc/54/54/61/349545461.db2.gz GLYVCFLKKRRBGM-WBMJQRKESA-N 1 0 286.331 2.807 20 5 CFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000595048769 349563818 /nfs/dbraw/zinc/56/38/18/349563818.db2.gz NCMLTOHKFGJQSG-GWCFXTLKSA-N 1 0 276.336 2.739 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595037098 349559286 /nfs/dbraw/zinc/55/92/86/349559286.db2.gz BOGPGTFIXSONEW-CMPLNLGQSA-N 1 0 282.340 2.679 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)CC1CC1 ZINC000595088162 349577087 /nfs/dbraw/zinc/57/70/87/349577087.db2.gz HYNBPIXWYSZIGP-SWLSCSKDSA-N 1 0 290.363 2.580 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595088430 349577368 /nfs/dbraw/zinc/57/73/68/349577368.db2.gz BYTIZQRMPMWMLY-CQDKDKBSSA-N 1 0 290.363 2.857 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595092664 349579691 /nfs/dbraw/zinc/57/96/91/349579691.db2.gz YUVNUMOVMDUWMI-ZNMIVQPWSA-N 1 0 290.363 2.939 20 5 CFBDRO CCCN1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595097148 349581640 /nfs/dbraw/zinc/58/16/40/349581640.db2.gz QIIDCTOWZIROGA-DOMZBBRYSA-N 1 0 289.379 2.656 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595106125 349582885 /nfs/dbraw/zinc/58/28/85/349582885.db2.gz IXQHHBBFVXCHKJ-HONMWMINSA-N 1 0 264.325 2.731 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2C[C@H](O)C2)c2ccccc2)c1 ZINC000595105774 349583102 /nfs/dbraw/zinc/58/31/02/349583102.db2.gz YMYBNXQXRHZBRD-XIRDDKMYSA-N 1 0 298.342 2.797 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595316891 349600069 /nfs/dbraw/zinc/60/00/69/349600069.db2.gz AORMVFRPXQPCCU-NSHDSACASA-N 1 0 282.315 2.592 20 5 CFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595330161 349603099 /nfs/dbraw/zinc/60/30/99/349603099.db2.gz KAUFDZDKXSRYCL-UWVGGRQHSA-N 1 0 252.289 2.964 20 5 CFBDRO CC1(C)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331528 349603461 /nfs/dbraw/zinc/60/34/61/349603461.db2.gz WNZBTEUWEYVPKR-UHFFFAOYSA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595292537 349592373 /nfs/dbraw/zinc/59/23/73/349592373.db2.gz RWHXUHMAKIGYKP-SNVBAGLBSA-N 1 0 252.289 2.966 20 5 CFBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)C(C)C ZINC000595294569 349593350 /nfs/dbraw/zinc/59/33/50/349593350.db2.gz PNQGFRDBQCDZIE-SNVBAGLBSA-N 1 0 255.318 2.758 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000595297353 349594709 /nfs/dbraw/zinc/59/47/09/349594709.db2.gz RQPKIHUCBGIGAM-SECBINFHSA-N 1 0 253.302 2.513 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000595305212 349597873 /nfs/dbraw/zinc/59/78/73/349597873.db2.gz YRBWJESTDBOKPW-LLVKDONJSA-N 1 0 267.329 2.902 20 5 CFBDRO CC[C@@]1(C)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595346022 349607746 /nfs/dbraw/zinc/60/77/46/349607746.db2.gz SRUASWJMGHFBDV-LBPRGKRZSA-N 1 0 253.302 2.513 20 5 CFBDRO CC[C@]1(C)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595346020 349607789 /nfs/dbraw/zinc/60/77/89/349607789.db2.gz SRUASWJMGHFBDV-GFCCVEGCSA-N 1 0 253.302 2.513 20 5 CFBDRO CC(C)=CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595370195 349611381 /nfs/dbraw/zinc/61/13/81/349611381.db2.gz DHGJBGBPKHVWSL-ZDUSSCGKSA-N 1 0 290.367 2.832 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000595396513 349616447 /nfs/dbraw/zinc/61/64/47/349616447.db2.gz WNSNZJALFDWTSU-YPMHNXCESA-N 1 0 294.326 2.592 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595433591 349624708 /nfs/dbraw/zinc/62/47/08/349624708.db2.gz YCFVWHQIPRDZKE-OCCSQVGLSA-N 1 0 282.315 2.781 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595433589 349624797 /nfs/dbraw/zinc/62/47/97/349624797.db2.gz YCFVWHQIPRDZKE-GXTWGEPZSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000273127660 192050852 /nfs/dbraw/zinc/05/08/52/192050852.db2.gz IFQJJSZZJRUCHH-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO CC(C)=CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595484252 349639416 /nfs/dbraw/zinc/63/94/16/349639416.db2.gz YYCWPCBCXIJPKN-UHFFFAOYSA-N 1 0 278.356 2.785 20 5 CFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000595521401 349650458 /nfs/dbraw/zinc/65/04/58/349650458.db2.gz RSTAWSNPOHIKNN-CYBMUJFWSA-N 1 0 298.358 2.963 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(CCO)CCCC1 ZINC000595508695 349645457 /nfs/dbraw/zinc/64/54/57/349645457.db2.gz JGEFXHRMMHIFPT-UHFFFAOYSA-N 1 0 282.315 2.519 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000595534078 349653299 /nfs/dbraw/zinc/65/32/99/349653299.db2.gz BOMFUMKIMXHPEJ-CYBMUJFWSA-N 1 0 277.368 2.511 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000595538734 349653866 /nfs/dbraw/zinc/65/38/66/349653866.db2.gz JRHGGMVJADUMBW-UONOGXRCSA-N 1 0 294.326 2.781 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595601422 349670898 /nfs/dbraw/zinc/67/08/98/349670898.db2.gz RLIHDLCOWFDLEC-SNVBAGLBSA-N 1 0 252.314 2.921 20 5 CFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000595679770 349698622 /nfs/dbraw/zinc/69/86/22/349698622.db2.gz XXLOYSNIRIJVRS-ZYHUDNBSSA-N 1 0 284.381 2.639 20 5 CFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000459626992 534929584 /nfs/dbraw/zinc/92/95/84/534929584.db2.gz DBBGTVREVJZPDU-PHIMTYICSA-N 1 0 270.354 2.702 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000070327447 346909891 /nfs/dbraw/zinc/90/98/91/346909891.db2.gz GYCBNVIOLFTUAD-QWHCGFSZSA-N 1 0 264.325 2.642 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595873280 349759860 /nfs/dbraw/zinc/75/98/60/349759860.db2.gz LFHGYVFEFJCECV-XEZPLFJOSA-N 1 0 292.379 2.915 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835774 349748122 /nfs/dbraw/zinc/74/81/22/349748122.db2.gz VGTWWKIRVGXKST-AGIUHOORSA-N 1 0 276.336 2.624 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(C)C ZINC000414527184 529629633 /nfs/dbraw/zinc/62/96/33/529629633.db2.gz MJRIVSIMHVMCOQ-LSDHHAIUSA-N 1 0 280.368 2.788 20 5 CFBDRO Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596098260 349794546 /nfs/dbraw/zinc/79/45/46/349794546.db2.gz JSTLQKDVQVIGQP-NSHDSACASA-N 1 0 283.397 2.932 20 5 CFBDRO CC(C)[NH+](CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596148166 349809003 /nfs/dbraw/zinc/80/90/03/349809003.db2.gz YUMAVCXMFHZEGL-UHFFFAOYSA-N 1 0 296.371 2.616 20 5 CFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072869532 346944596 /nfs/dbraw/zinc/94/45/96/346944596.db2.gz KOKJWHUSPCHPNG-UTUOFQBUSA-N 1 0 291.351 2.510 20 5 CFBDRO CO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000072924712 346949374 /nfs/dbraw/zinc/94/93/74/346949374.db2.gz QNMRGHNPEHKFNU-VFADXPBXSA-N 1 0 278.352 2.869 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000596237238 349835726 /nfs/dbraw/zinc/83/57/26/349835726.db2.gz RPTUKOFBLJJZLY-UHFFFAOYSA-N 1 0 289.379 2.825 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000596307335 349858423 /nfs/dbraw/zinc/85/84/23/349858423.db2.gz KRJHYIAOEJTJHZ-NSHDSACASA-N 1 0 293.367 2.888 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596309533 349859995 /nfs/dbraw/zinc/85/99/95/349859995.db2.gz UAEDGYTXLAJYRW-NSHDSACASA-N 1 0 293.367 2.888 20 5 CFBDRO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596300001 349856330 /nfs/dbraw/zinc/85/63/30/349856330.db2.gz RKLXNCRBCGOTIT-AOOOYVTPSA-N 1 0 269.370 2.717 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000596307334 349857830 /nfs/dbraw/zinc/85/78/30/349857830.db2.gz KRJHYIAOEJTJHZ-LLVKDONJSA-N 1 0 293.367 2.888 20 5 CFBDRO Cc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273173247 192065400 /nfs/dbraw/zinc/06/54/00/192065400.db2.gz WGRUWVKGCRWZPV-HOTGVXAUSA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1nc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337624 349869225 /nfs/dbraw/zinc/86/92/25/349869225.db2.gz YUAKLYAVLMPMPN-LLVKDONJSA-N 1 0 278.356 2.583 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000135290158 529986321 /nfs/dbraw/zinc/98/63/21/529986321.db2.gz SKVVFAYGYUDGRT-MRVPVSSYSA-N 1 0 257.721 2.516 20 5 CFBDRO C[NH2+]C[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420297212 529993144 /nfs/dbraw/zinc/99/31/44/529993144.db2.gz RDMLFOPZUNHURX-OLZOCXBDSA-N 1 0 277.368 2.506 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000413442286 530054977 /nfs/dbraw/zinc/05/49/77/530054977.db2.gz QIDCOAVINWTZTG-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000413441178 530054996 /nfs/dbraw/zinc/05/49/96/530054996.db2.gz PMTDLOITKWCXLK-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000596488837 349918086 /nfs/dbraw/zinc/91/80/86/349918086.db2.gz RZSUGVRQJPHZSJ-SNVBAGLBSA-N 1 0 284.385 2.584 20 5 CFBDRO Cc1c(NC(=O)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000026155649 346264488 /nfs/dbraw/zinc/26/44/88/346264488.db2.gz QSBBIBKMIJNCEE-UHFFFAOYSA-N 1 0 291.351 2.718 20 5 CFBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000026940737 346267309 /nfs/dbraw/zinc/26/73/09/346267309.db2.gz JEYSPUCXLBCTFW-UHFFFAOYSA-N 1 0 292.335 2.834 20 5 CFBDRO C[C@H](CCCCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000295136135 199366177 /nfs/dbraw/zinc/36/61/77/199366177.db2.gz YUNOJDAAZZXVJK-SNVBAGLBSA-N 1 0 286.759 2.889 20 5 CFBDRO C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000046055573 346419027 /nfs/dbraw/zinc/41/90/27/346419027.db2.gz IZIFYBPTGSVOQF-LBPRGKRZSA-N 1 0 264.325 2.706 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046055660 346419056 /nfs/dbraw/zinc/41/90/56/346419056.db2.gz LTPSZUNWOITFOD-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncccc1[N+](=O)[O-] ZINC000057148220 346620027 /nfs/dbraw/zinc/62/00/27/346620027.db2.gz ZXPJQWHVFCUUJI-FRRDWIJNSA-N 1 0 292.383 2.768 20 5 CFBDRO CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058610971 346647297 /nfs/dbraw/zinc/64/72/97/346647297.db2.gz MNHVDBZLTKSJBI-CYBMUJFWSA-N 1 0 278.356 2.522 20 5 CFBDRO CC(=O)c1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000065945408 346744094 /nfs/dbraw/zinc/74/40/94/346744094.db2.gz SCJKOPYBHVUJBF-SNVBAGLBSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H]1C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000076111549 347122598 /nfs/dbraw/zinc/12/25/98/347122598.db2.gz CGDVQMRMQYWCLH-NXEZZACHSA-N 1 0 252.289 2.822 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000076776117 347152889 /nfs/dbraw/zinc/15/28/89/347152889.db2.gz KWXMJYASHFMTCB-GFCCVEGCSA-N 1 0 263.341 2.881 20 5 CFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000076800501 347155450 /nfs/dbraw/zinc/15/54/50/347155450.db2.gz YIIOHZFFFBVDAD-CHWSQXEVSA-N 1 0 292.383 2.770 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076157967 347126931 /nfs/dbraw/zinc/12/69/31/347126931.db2.gz NQPZNGROZDOQDM-UHFFFAOYSA-N 1 0 290.363 2.640 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1cccs1 ZINC000078247157 347233884 /nfs/dbraw/zinc/23/38/84/347233884.db2.gz WBWHDRRXXBVFLR-NSHDSACASA-N 1 0 292.364 2.766 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000080652858 347372771 /nfs/dbraw/zinc/37/27/71/347372771.db2.gz AYRCNPYFDVCLHN-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000080685232 347374864 /nfs/dbraw/zinc/37/48/64/347374864.db2.gz ONSKYTUAVTZLCI-UHFFFAOYSA-N 1 0 291.273 2.611 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000091484265 347590084 /nfs/dbraw/zinc/59/00/84/347590084.db2.gz BDYUNUFPUHBVTO-ZDUSSCGKSA-N 1 0 275.352 2.517 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cccc1[N+](=O)[O-] ZINC000090514559 347550971 /nfs/dbraw/zinc/55/09/71/347550971.db2.gz GPBLGBBEGZWVOV-GXUQNELRSA-N 1 0 298.408 2.711 20 5 CFBDRO CCOc1cc(N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000092657448 347637767 /nfs/dbraw/zinc/63/77/67/347637767.db2.gz UOCQLUAPSJXDAN-ZDUSSCGKSA-N 1 0 293.367 2.524 20 5 CFBDRO CCOc1cc(N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000113542717 347768164 /nfs/dbraw/zinc/76/81/64/347768164.db2.gz NECPRWUFVPNJGT-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO C[C@@H]1CCC[C@@](CNc2cccnc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000127029416 347839126 /nfs/dbraw/zinc/83/91/26/347839126.db2.gz CGJBPIPQZIGAIB-IUODEOHRSA-N 1 0 292.383 2.912 20 5 CFBDRO CCOc1cccc(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134914413 347902414 /nfs/dbraw/zinc/90/24/14/347902414.db2.gz YBMFREJABRWGCT-NSHDSACASA-N 1 0 291.351 2.642 20 5 CFBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000141691117 347932080 /nfs/dbraw/zinc/93/20/80/347932080.db2.gz XDLJMYZLOLMILL-UHFFFAOYSA-N 1 0 251.330 2.785 20 5 CFBDRO O=[N+]([O-])c1ccccc1NCC12CCC[NH+]1CCC2 ZINC000138765336 347917508 /nfs/dbraw/zinc/91/75/08/347917508.db2.gz FGZOUYWDNUPWNW-UHFFFAOYSA-N 1 0 261.325 2.635 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000152857832 347970961 /nfs/dbraw/zinc/97/09/61/347970961.db2.gz QSVXOCVYGZQQEF-CHWSQXEVSA-N 1 0 276.336 2.706 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157778235 348002643 /nfs/dbraw/zinc/00/26/43/348002643.db2.gz NLVZJEUETWZWOT-DOMZBBRYSA-N 1 0 289.379 2.730 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157747980 348002736 /nfs/dbraw/zinc/00/27/36/348002736.db2.gz PVGNBBBTXQRWGG-WDEREUQCSA-N 1 0 291.351 2.700 20 5 CFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154265734 347978976 /nfs/dbraw/zinc/97/89/76/347978976.db2.gz VYJHLTXESNAVIU-MISXGVKJSA-N 1 0 298.408 2.666 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCCC1 ZINC000164206904 348037202 /nfs/dbraw/zinc/03/72/02/348037202.db2.gz SDIPYWNJIXFLKU-LBPRGKRZSA-N 1 0 278.352 2.859 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000178237022 348119148 /nfs/dbraw/zinc/11/91/48/348119148.db2.gz PAPQMLHZYGOVRZ-LLVKDONJSA-N 1 0 280.372 2.686 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000172409003 348092719 /nfs/dbraw/zinc/09/27/19/348092719.db2.gz WWAHPXTYBGJGJD-VIFPVBQESA-N 1 0 284.747 2.539 20 5 CFBDRO C[C@@H]1CSCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000172587549 348098979 /nfs/dbraw/zinc/09/89/79/348098979.db2.gz VTUPIULKQGZRGY-SECBINFHSA-N 1 0 270.329 2.671 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218848373 348167823 /nfs/dbraw/zinc/16/78/23/348167823.db2.gz XVVXPKYNKGHHPM-SNVBAGLBSA-N 1 0 299.346 2.885 20 5 CFBDRO CSCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000237505457 348240400 /nfs/dbraw/zinc/24/04/00/348240400.db2.gz XEXGJFVTYCWMQV-UHFFFAOYSA-N 1 0 292.307 2.649 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000235505465 348227934 /nfs/dbraw/zinc/22/79/34/348227934.db2.gz XKYVKYCJXRTXPF-LOWVWBTDSA-N 1 0 264.325 2.670 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000255127505 348302862 /nfs/dbraw/zinc/30/28/62/348302862.db2.gz IMURSSXPSDOOMI-IMMZDGJCSA-N 1 0 288.347 2.720 20 5 CFBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309842292 348408187 /nfs/dbraw/zinc/40/81/87/348408187.db2.gz QJGAOJRUAHHQED-VXNVDRBHSA-N 1 0 258.368 2.640 20 5 CFBDRO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000311603716 348414036 /nfs/dbraw/zinc/41/40/36/348414036.db2.gz OSKNNDVAZOLEQE-QMMMGPOBSA-N 1 0 284.747 2.538 20 5 CFBDRO CC1(C)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000311964288 348416179 /nfs/dbraw/zinc/41/61/79/348416179.db2.gz LYXNBMLFQZKQDF-ZDUSSCGKSA-N 1 0 264.325 2.752 20 5 CFBDRO COc1cc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000312489201 348419426 /nfs/dbraw/zinc/41/94/26/348419426.db2.gz JUSDFKHTAIAOSN-SNVBAGLBSA-N 1 0 281.356 2.521 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000317714276 348432774 /nfs/dbraw/zinc/43/27/74/348432774.db2.gz MHAADYSWRIPFNE-CQSZACIVSA-N 1 0 298.342 2.903 20 5 CFBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)sn1 ZINC000404434700 348591539 /nfs/dbraw/zinc/59/15/39/348591539.db2.gz DRSUJAUOEUGRHN-UHFFFAOYSA-N 1 0 263.322 2.650 20 5 CFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000589206570 348820084 /nfs/dbraw/zinc/82/00/84/348820084.db2.gz ZNNAXABEMLFJJJ-ABAIWWIYSA-N 1 0 295.358 2.506 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C)CC2)c1 ZINC000589494177 348836277 /nfs/dbraw/zinc/83/62/77/348836277.db2.gz CCMCAFINNASPSY-UHFFFAOYSA-N 1 0 292.335 2.613 20 5 CFBDRO CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589505796 348836763 /nfs/dbraw/zinc/83/67/63/348836763.db2.gz OWVZMDQSCFDLJA-LLVKDONJSA-N 1 0 292.335 2.613 20 5 CFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000590141892 348877831 /nfs/dbraw/zinc/87/78/31/348877831.db2.gz DMEDRWOAJWCSDC-ZDUSSCGKSA-N 1 0 281.381 2.578 20 5 CFBDRO CC1(C)CCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000590738457 348940298 /nfs/dbraw/zinc/94/02/98/348940298.db2.gz MDAKRAWVVHADAN-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000590972257 348975728 /nfs/dbraw/zinc/97/57/28/348975728.db2.gz ARSLASFPGZHUBS-RISCZKNCSA-N 1 0 296.754 2.859 20 5 CFBDRO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CCCC[NH2+]1 ZINC000591426909 349019128 /nfs/dbraw/zinc/01/91/28/349019128.db2.gz GMZJLZLDOIJXJN-LLVKDONJSA-N 1 0 286.335 2.697 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC2)o1 ZINC000591641832 349035903 /nfs/dbraw/zinc/03/59/03/349035903.db2.gz KSLCWPIVBUSGBX-LLVKDONJSA-N 1 0 288.303 2.733 20 5 CFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3=CCCC3)CC2)n1 ZINC000592116952 349085291 /nfs/dbraw/zinc/08/52/91/349085291.db2.gz SPTDXOJREGUWPN-UHFFFAOYSA-N 1 0 276.340 2.539 20 5 CFBDRO CC[N@H+](CCSC)CCc1ccc([N+](=O)[O-])cc1 ZINC000592202523 349099702 /nfs/dbraw/zinc/09/97/02/349099702.db2.gz ZOELVEIZKREOHF-UHFFFAOYSA-N 1 0 268.382 2.822 20 5 CFBDRO O=[N+]([O-])c1cccc(/C=C\c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592357460 349108675 /nfs/dbraw/zinc/10/86/75/349108675.db2.gz GCCABFCGASKLBJ-DGMVEKRQSA-N 1 0 286.291 2.573 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592374957 349111313 /nfs/dbraw/zinc/11/13/13/349111313.db2.gz NDHDHZCAJVHCJN-HAANDJBQSA-N 1 0 292.379 2.995 20 5 CFBDRO CC(C)[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592485023 349127196 /nfs/dbraw/zinc/12/71/96/349127196.db2.gz NWKCBGZBPWAUGC-IUODEOHRSA-N 1 0 277.368 2.586 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000593015329 349187080 /nfs/dbraw/zinc/18/70/80/349187080.db2.gz SGOCVEFOTXQTQJ-PHIMTYICSA-N 1 0 292.335 2.754 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000593015330 349187330 /nfs/dbraw/zinc/18/73/30/349187330.db2.gz SGOCVEFOTXQTQJ-QWRGUYRKSA-N 1 0 292.335 2.754 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000593103706 349209456 /nfs/dbraw/zinc/20/94/56/349209456.db2.gz YMLKVEBXZIUJDK-SNVBAGLBSA-N 1 0 294.351 2.906 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593116551 349213103 /nfs/dbraw/zinc/21/31/03/349213103.db2.gz MCKBIYWFWQRECR-CYBMUJFWSA-N 1 0 298.289 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593116553 349213599 /nfs/dbraw/zinc/21/35/99/349213599.db2.gz MCKBIYWFWQRECR-ZDUSSCGKSA-N 1 0 298.289 2.705 20 5 CFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1F ZINC000593063182 349199431 /nfs/dbraw/zinc/19/94/31/349199431.db2.gz GGCLGAIOOREHOI-ZDUSSCGKSA-N 1 0 292.314 2.671 20 5 CFBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593067371 349200384 /nfs/dbraw/zinc/20/03/84/349200384.db2.gz JLLPQPLIWZGBAH-CQSZACIVSA-N 1 0 264.325 2.596 20 5 CFBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593069383 349201528 /nfs/dbraw/zinc/20/15/28/349201528.db2.gz REDULWFPRAIVEP-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(C3CCC3)CC2)cc1 ZINC000593079910 349202922 /nfs/dbraw/zinc/20/29/22/349202922.db2.gz IKYLMZPHUZYECG-UHFFFAOYSA-N 1 0 276.336 2.896 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[NH+]2CCCCC2)n1 ZINC000593517431 349288603 /nfs/dbraw/zinc/28/86/03/349288603.db2.gz UNSAAXLPIYCGPT-UHFFFAOYSA-N 1 0 292.383 2.529 20 5 CFBDRO COc1cccc(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593515231 349288769 /nfs/dbraw/zinc/28/87/69/349288769.db2.gz DFZLGVWWXBSDNG-UHFFFAOYSA-N 1 0 293.367 2.526 20 5 CFBDRO C[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC000593472706 349277518 /nfs/dbraw/zinc/27/75/18/349277518.db2.gz IVUBKYKGSPBPRE-NSHDSACASA-N 1 0 288.351 2.753 20 5 CFBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495807 349430523 /nfs/dbraw/zinc/43/05/23/349430523.db2.gz SPBUHKZQJYFZJO-BXUZGUMPSA-N 1 0 292.379 2.969 20 5 CFBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503307 349433147 /nfs/dbraw/zinc/43/31/47/349433147.db2.gz UYVLFLHLTRDBRC-JMSVASOKSA-N 1 0 290.363 2.987 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594502165 349433212 /nfs/dbraw/zinc/43/32/12/349433212.db2.gz YRDZTPPYLWNBPW-JTNHKYCSSA-N 1 0 276.336 2.739 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000597062556 350023912 /nfs/dbraw/zinc/02/39/12/350023912.db2.gz VJSZQKSQBFKXTR-RDBSUJKOSA-N 1 0 260.337 2.916 20 5 CFBDRO CN(CCC[NH+](C)C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000204657781 539742689 /nfs/dbraw/zinc/74/26/89/539742689.db2.gz DIMDSQKLUJOWJU-UHFFFAOYSA-N 1 0 271.748 2.636 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1(CO)CCC1 ZINC000597256618 350074211 /nfs/dbraw/zinc/07/42/11/350074211.db2.gz WLVNDXMXLUOZAK-UKTHLTGXSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000271214739 191005386 /nfs/dbraw/zinc/00/53/86/191005386.db2.gz WURMZKHBZKFJOB-OAHLLOKOSA-N 1 0 278.352 2.722 20 5 CFBDRO COCC[C@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414479950 233265332 /nfs/dbraw/zinc/26/53/32/233265332.db2.gz JHNLQTCOKWKUAG-IYNGYCSASA-N 1 0 278.352 2.870 20 5 CFBDRO COCC[C@@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414479955 233266018 /nfs/dbraw/zinc/26/60/18/233266018.db2.gz JHNLQTCOKWKUAG-VUDGCMKMSA-N 1 0 278.352 2.870 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000414577689 233296572 /nfs/dbraw/zinc/29/65/72/233296572.db2.gz OZPDBQJDNYAPNL-ZYHUDNBSSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000104685957 186014089 /nfs/dbraw/zinc/01/40/89/186014089.db2.gz FKHGFLOMDAEQSH-SNVBAGLBSA-N 1 0 252.314 2.834 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000271301396 191059871 /nfs/dbraw/zinc/05/98/71/191059871.db2.gz UULJEZUPIXPLDF-AAEUAGOBSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C1CC1 ZINC000091485409 180167423 /nfs/dbraw/zinc/16/74/23/180167423.db2.gz QVVQWWPFMFMRKN-PWSUYJOCSA-N 1 0 261.325 2.632 20 5 CFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000105442955 186057012 /nfs/dbraw/zinc/05/70/12/186057012.db2.gz XECJCQSGSFOJJB-JTQLQIEISA-N 1 0 294.380 2.587 20 5 CFBDRO [NH3+]C[C@H](NCc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000414831048 233369931 /nfs/dbraw/zinc/36/99/31/233369931.db2.gz BTXUNWXBFCFCOG-LBPRGKRZSA-N 1 0 283.397 2.654 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CC2(F)F)cs1 ZINC000598647003 350301720 /nfs/dbraw/zinc/30/17/20/350301720.db2.gz JFOKXRBUWAUREC-QMMMGPOBSA-N 1 0 262.281 2.791 20 5 CFBDRO CC1(C)CC[C@@H](CO)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598650052 350302164 /nfs/dbraw/zinc/30/21/64/350302164.db2.gz YCFYXEULOQLFMN-HNNXBMFYSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650171 350303246 /nfs/dbraw/zinc/30/32/46/350303246.db2.gz MZQYRLRAFXZMCM-FRRDWIJNSA-N 1 0 278.352 2.606 20 5 CFBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598987245 350354176 /nfs/dbraw/zinc/35/41/76/350354176.db2.gz INSDALNKFUZWQU-IINYFYTJSA-N 1 0 296.754 2.905 20 5 CFBDRO CCC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OCC ZINC000598989902 350354708 /nfs/dbraw/zinc/35/47/08/350354708.db2.gz VASAWBCKGQFFGE-AWEZNQCLSA-N 1 0 266.341 2.890 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000598991185 350355704 /nfs/dbraw/zinc/35/57/04/350355704.db2.gz LXHTWZRPLLMHQN-AWEZNQCLSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000598998835 350357528 /nfs/dbraw/zinc/35/75/28/350357528.db2.gz INQFBWBRKVPUEY-CYBMUJFWSA-N 1 0 295.408 2.763 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599011043 350358335 /nfs/dbraw/zinc/35/83/35/350358335.db2.gz XGRQGKOMGWCSAO-DZGCQCFKSA-N 1 0 276.336 2.560 20 5 CFBDRO C[NH+](C)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599012717 350359059 /nfs/dbraw/zinc/35/90/59/350359059.db2.gz BHMBODOKFSFPIW-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000599017503 350359502 /nfs/dbraw/zinc/35/95/02/350359502.db2.gz ZHVJEDPPVIXVBU-BWIRZDBDSA-N 1 0 276.336 2.765 20 5 CFBDRO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C[C@H](C)O ZINC000599046751 350364844 /nfs/dbraw/zinc/36/48/44/350364844.db2.gz MKGSYVYCHSSXCU-MNOVXSKESA-N 1 0 289.335 2.962 20 5 CFBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC=CCC2)ccc2cnccc21 ZINC000599079718 350371613 /nfs/dbraw/zinc/37/16/13/350371613.db2.gz MVTXYOWAKMAOHO-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000599091170 350374382 /nfs/dbraw/zinc/37/43/82/350374382.db2.gz HMFPMAIEKRPRTK-NFAWXSAZSA-N 1 0 292.379 2.931 20 5 CFBDRO CCC(CC)[NH2+]CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000599096899 350375071 /nfs/dbraw/zinc/37/50/71/350375071.db2.gz ALQXXQJHKREVKO-UHFFFAOYSA-N 1 0 280.372 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000092300739 180358756 /nfs/dbraw/zinc/35/87/56/180358756.db2.gz YJBUXOGCGWANCB-CYBMUJFWSA-N 1 0 284.315 2.861 20 5 CFBDRO CC1(C)CC(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000599353057 350421206 /nfs/dbraw/zinc/42/12/06/350421206.db2.gz KJMPAMIZBQFJBS-UHFFFAOYSA-N 1 0 275.352 2.784 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599624450 350466071 /nfs/dbraw/zinc/46/60/71/350466071.db2.gz FDSAMSVUFYSXRL-VEABSNGSSA-N 1 0 294.351 2.505 20 5 CFBDRO Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000106868393 186144260 /nfs/dbraw/zinc/14/42/60/186144260.db2.gz PIUJFWSRZSJOKF-LSDHHAIUSA-N 1 0 289.379 2.620 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639622 350469925 /nfs/dbraw/zinc/46/99/25/350469925.db2.gz KFBJUGHVPRWHPX-HEHGZKQESA-N 1 0 290.363 2.750 20 5 CFBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000107904472 186197466 /nfs/dbraw/zinc/19/74/66/186197466.db2.gz KWDCLZPWHHZBOM-NOZJJQNGSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000108079089 186202781 /nfs/dbraw/zinc/20/27/81/186202781.db2.gz LXIYJRFKKMSWHZ-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO CC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600711056 350599380 /nfs/dbraw/zinc/59/93/80/350599380.db2.gz QOMWAZCFYQBGTD-LNSITVRQSA-N 1 0 277.368 2.776 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000109007623 186239416 /nfs/dbraw/zinc/23/94/16/186239416.db2.gz ONZYUBQZEAFYPL-UHFFFAOYSA-N 1 0 286.335 2.628 20 5 CFBDRO Cc1cc2c(c(-c3ccc([N+](=O)[O-])nc3)c1)C[NH2+]CC2 ZINC000600844962 350619087 /nfs/dbraw/zinc/61/90/87/350619087.db2.gz CWQLZBVCODWQKT-UHFFFAOYSA-N 1 0 269.304 2.611 20 5 CFBDRO CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C ZINC000600882726 350622868 /nfs/dbraw/zinc/62/28/68/350622868.db2.gz AQPMMBRBCMHWEY-GXTWGEPZSA-N 1 0 291.351 2.572 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc([C@H]3COCC[NH2+]3)cc2)cc1 ZINC000600787326 350611182 /nfs/dbraw/zinc/61/11/82/350611182.db2.gz ZNMWKLZFEULXNY-MRXNPFEDSA-N 1 0 284.315 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000600788517 350611952 /nfs/dbraw/zinc/61/19/52/350611952.db2.gz LACZZICYBWHPLW-ZDUSSCGKSA-N 1 0 283.331 2.809 20 5 CFBDRO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786200 186272722 /nfs/dbraw/zinc/27/27/22/186272722.db2.gz LFKMWQXJDZWDCH-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000601120868 350673633 /nfs/dbraw/zinc/67/36/33/350673633.db2.gz KAUDTGQGLMEQMO-LBPRGKRZSA-N 1 0 295.408 2.969 20 5 CFBDRO C[C@H]([NH3+])C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000110651093 186311110 /nfs/dbraw/zinc/31/11/10/186311110.db2.gz OAOJOKBTSKKCBF-JTQLQIEISA-N 1 0 297.786 2.807 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601101282 350668285 /nfs/dbraw/zinc/66/82/85/350668285.db2.gz KBLLTQZPEXFXJN-UHFFFAOYSA-N 1 0 296.346 2.661 20 5 CFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000601124790 350675504 /nfs/dbraw/zinc/67/55/04/350675504.db2.gz SYULDPNQQAIKHT-LBPRGKRZSA-N 1 0 295.408 2.824 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000601174336 350689408 /nfs/dbraw/zinc/68/94/08/350689408.db2.gz UPFUAUXTQCRGER-AWEZNQCLSA-N 1 0 286.335 2.724 20 5 CFBDRO CC(C)C[N@H+](C)CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601184122 350690953 /nfs/dbraw/zinc/69/09/53/350690953.db2.gz HOQMBHJBGXTOAP-UHFFFAOYSA-N 1 0 284.335 2.519 20 5 CFBDRO CCC(O)(CC)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000111158835 186361915 /nfs/dbraw/zinc/36/19/15/186361915.db2.gz YAXOIOLKYQXYFK-UHFFFAOYSA-N 1 0 266.341 2.544 20 5 CFBDRO CC(C)[NH+]1CCC(N(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000263678910 535153877 /nfs/dbraw/zinc/15/38/77/535153877.db2.gz HSKZXVRGXTWULV-UHFFFAOYSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000111254794 186379522 /nfs/dbraw/zinc/37/95/22/186379522.db2.gz YCOBZIXLARGLKK-GFCCVEGCSA-N 1 0 293.367 2.536 20 5 CFBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602485005 350902008 /nfs/dbraw/zinc/90/20/08/350902008.db2.gz LZUQQIAAPYBTFA-DGCLKSJQSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC(CC)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602483796 350902509 /nfs/dbraw/zinc/90/25/09/350902509.db2.gz LUGCLVCURFHCJZ-UHFFFAOYSA-N 1 0 282.388 2.975 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC000602518310 350912280 /nfs/dbraw/zinc/91/22/80/350912280.db2.gz PLECTBSJBUQYFX-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO C[N@H+](CCC[C@@H]1CCO1)Cc1ccccc1[N+](=O)[O-] ZINC000602440732 350883739 /nfs/dbraw/zinc/88/37/39/350883739.db2.gz SHISCTOUKPNHEZ-CYBMUJFWSA-N 1 0 264.325 2.596 20 5 CFBDRO CCC(CC)C[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602445486 350886424 /nfs/dbraw/zinc/88/64/24/350886424.db2.gz WLQAIAHITCQQNW-UHFFFAOYSA-N 1 0 268.361 2.586 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602454762 350889482 /nfs/dbraw/zinc/88/94/82/350889482.db2.gz UBQPYJIVAUJIQM-GFCCVEGCSA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000602651629 350962092 /nfs/dbraw/zinc/96/20/92/350962092.db2.gz TZZMMDKTWROAIS-CQSZACIVSA-N 1 0 280.368 2.884 20 5 CFBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(F)F ZINC000602712489 350994618 /nfs/dbraw/zinc/99/46/18/350994618.db2.gz XWQKBGVXNVBPOV-GFCCVEGCSA-N 1 0 297.261 2.871 20 5 CFBDRO CC(C)C1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000602635728 350955252 /nfs/dbraw/zinc/95/52/52/350955252.db2.gz BNNZSEVSBSREPP-UHFFFAOYSA-N 1 0 288.351 2.997 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602761917 351016158 /nfs/dbraw/zinc/01/61/58/351016158.db2.gz ZSWKTAXUHPLHPT-CQSZACIVSA-N 1 0 288.351 2.815 20 5 CFBDRO CC[C@H](C)[C@@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771247 351019371 /nfs/dbraw/zinc/01/93/71/351019371.db2.gz AUTBTXDSIDNZTP-NWDGAFQWSA-N 1 0 294.399 2.999 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1CC(C)C ZINC000602770691 351019440 /nfs/dbraw/zinc/01/94/40/351019440.db2.gz XXCZWSNWVUPTMR-CYBMUJFWSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000602769167 351019444 /nfs/dbraw/zinc/01/94/44/351019444.db2.gz RSMXBKGQTMJLFP-CQSZACIVSA-N 1 0 292.383 2.754 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C2CCCC1CCC2 ZINC000602783313 351023796 /nfs/dbraw/zinc/02/37/96/351023796.db2.gz OUMRZIZVBVFMDS-UHFFFAOYSA-N 1 0 278.356 2.507 20 5 CFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602796488 351028521 /nfs/dbraw/zinc/02/85/21/351028521.db2.gz AVGHKHFVJIONIO-CQSZACIVSA-N 1 0 288.351 2.841 20 5 CFBDRO C[C@H]1OCC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602796986 351029466 /nfs/dbraw/zinc/02/94/66/351029466.db2.gz LFXPEYNVNIIUPC-OLZOCXBDSA-N 1 0 290.363 2.984 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000602804811 351032748 /nfs/dbraw/zinc/03/27/48/351032748.db2.gz LNJBJTZHGMAUHD-DOMZBBRYSA-N 1 0 292.383 2.612 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000602811146 351034635 /nfs/dbraw/zinc/03/46/35/351034635.db2.gz KLEDBTRXZKAVGL-WCQYABFASA-N 1 0 294.399 2.904 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000602812630 351035170 /nfs/dbraw/zinc/03/51/70/351035170.db2.gz ASBIRGAPVBVJJE-AAEUAGOBSA-N 1 0 280.372 2.610 20 5 CFBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602818699 351036926 /nfs/dbraw/zinc/03/69/26/351036926.db2.gz NMFGRTGVUQXLGP-NSHDSACASA-N 1 0 280.372 2.729 20 5 CFBDRO CCC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602842489 351043066 /nfs/dbraw/zinc/04/30/66/351043066.db2.gz ZRGGSMZIOHQRGH-ZDUSSCGKSA-N 1 0 280.372 2.658 20 5 CFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000602843977 351043183 /nfs/dbraw/zinc/04/31/83/351043183.db2.gz MQDNFCXEHFUJIK-UHFFFAOYSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000602848034 351043752 /nfs/dbraw/zinc/04/37/52/351043752.db2.gz CTZKQAFANMBTMI-AWEZNQCLSA-N 1 0 292.383 2.754 20 5 CFBDRO CSC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602921780 351066856 /nfs/dbraw/zinc/06/68/56/351066856.db2.gz MBOOJBDTLHBWTD-UHFFFAOYSA-N 1 0 296.392 2.801 20 5 CFBDRO Cc1c(CN2CCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000602881377 351056040 /nfs/dbraw/zinc/05/60/40/351056040.db2.gz PYEJQRTWIBHDCO-OAHLLOKOSA-N 1 0 286.335 2.963 20 5 CFBDRO CC1(F)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602741667 351011003 /nfs/dbraw/zinc/01/10/03/351011003.db2.gz KXBCVRPHZARLQB-UHFFFAOYSA-N 1 0 266.316 2.961 20 5 CFBDRO C[C@@](CO)([NH2+]CCCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963274 351073234 /nfs/dbraw/zinc/07/32/34/351073234.db2.gz UFWRKGLXYXZSAL-INIZCTEOSA-N 1 0 292.379 2.972 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000603434968 351164006 /nfs/dbraw/zinc/16/40/06/351164006.db2.gz VNBZRPLKAGLBNP-JFGNBEQYSA-N 1 0 283.397 2.604 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603437073 351164202 /nfs/dbraw/zinc/16/42/02/351164202.db2.gz HSWFWFDEONIURO-ABRLENAZSA-N 1 0 290.363 2.915 20 5 CFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000609385553 351499850 /nfs/dbraw/zinc/49/98/50/351499850.db2.gz AUENVMVVICXPGD-LBPRGKRZSA-N 1 0 283.397 2.619 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000609540557 351506141 /nfs/dbraw/zinc/50/61/41/351506141.db2.gz BIGYXGNFARCOAQ-LBPRGKRZSA-N 1 0 266.341 2.952 20 5 CFBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609560697 351506972 /nfs/dbraw/zinc/50/69/72/351506972.db2.gz UHBBRLXSVRBIHF-UHFFFAOYSA-N 1 0 283.397 2.967 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000609560745 351507250 /nfs/dbraw/zinc/50/72/50/351507250.db2.gz JGJXKHWEWIMWOU-VIFPVBQESA-N 1 0 257.359 2.799 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1[nH]nc2ccccc21 ZINC000610271328 351546076 /nfs/dbraw/zinc/54/60/76/351546076.db2.gz BUQNFBVNSGAPQO-UHFFFAOYSA-N 1 0 296.330 2.803 20 5 CFBDRO CC1CCC([N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000610447438 351567117 /nfs/dbraw/zinc/56/71/17/351567117.db2.gz MFEDBVLQBZTJPW-UHFFFAOYSA-N 1 0 292.383 2.834 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(F)c1 ZINC000610476254 351568930 /nfs/dbraw/zinc/56/89/30/351568930.db2.gz QJELOVZJHRBFJR-NSHDSACASA-N 1 0 294.326 2.735 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610517753 351576524 /nfs/dbraw/zinc/57/65/24/351576524.db2.gz PIDNIROXTMHCBU-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@H](C[C@H]1CCOC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811064 351610558 /nfs/dbraw/zinc/61/05/58/351610558.db2.gz HXRDKVVDHFRUQH-TZMCWYRMSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000610804176 351610731 /nfs/dbraw/zinc/61/07/31/351610731.db2.gz LWCUIDTXGRYKSZ-QWHCGFSZSA-N 1 0 277.368 2.648 20 5 CFBDRO Cc1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000611083772 351639146 /nfs/dbraw/zinc/63/91/46/351639146.db2.gz LOHQJDMWCZIYCC-ZDUSSCGKSA-N 1 0 275.352 2.799 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611271132 351661092 /nfs/dbraw/zinc/66/10/92/351661092.db2.gz JCQKSBFIIQNGPG-IZPAUZPXSA-N 1 0 289.379 2.634 20 5 CFBDRO CC[NH+]1CCC(CNc2sccc2[N+](=O)[O-])CC1 ZINC000611411651 351684879 /nfs/dbraw/zinc/68/48/79/351684879.db2.gz HGXOWTFPGVFKHS-UHFFFAOYSA-N 1 0 269.370 2.800 20 5 CFBDRO O=[N+]([O-])c1ccsc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611412431 351685949 /nfs/dbraw/zinc/68/59/49/351685949.db2.gz ZZGRKFPBCYSEKB-UHFFFAOYSA-N 1 0 287.304 2.981 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000611470210 351694207 /nfs/dbraw/zinc/69/42/07/351694207.db2.gz MYIRZKIYKBLISS-QWRGUYRKSA-N 1 0 266.341 2.713 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+](C)C)CCCC2)n1 ZINC000611615967 351714434 /nfs/dbraw/zinc/71/44/34/351714434.db2.gz ONZAXSGYSBPGJK-UHFFFAOYSA-N 1 0 292.383 2.893 20 5 CFBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611943526 351754189 /nfs/dbraw/zinc/75/41/89/351754189.db2.gz KRQVIYMCGHKGFY-ZDUSSCGKSA-N 1 0 282.315 2.735 20 5 CFBDRO COc1ccc(C[N@H+]2CCC[C@@H](OC)CC2)cc1[N+](=O)[O-] ZINC000611943587 351754521 /nfs/dbraw/zinc/75/45/21/351754521.db2.gz PRDZVMMLBQNAJR-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1cn2c(n1)CN(C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000611983900 351758696 /nfs/dbraw/zinc/75/86/96/351758696.db2.gz VZBWCEJKWKVHHU-XQRVVYSFSA-N 1 0 298.346 2.629 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000122269545 187023457 /nfs/dbraw/zinc/02/34/57/187023457.db2.gz VIFGBPLMEJEFOF-NXEZZACHSA-N 1 0 279.315 2.771 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000122439447 187032462 /nfs/dbraw/zinc/03/24/62/187032462.db2.gz MAPAFBTUGWXGRP-JTQLQIEISA-N 1 0 264.325 2.882 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCSCC2)cs1 ZINC000122729602 187048096 /nfs/dbraw/zinc/04/80/96/187048096.db2.gz ZZAYBPXGPUIXKM-UHFFFAOYSA-N 1 0 258.368 2.642 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000123627981 187101743 /nfs/dbraw/zinc/10/17/43/187101743.db2.gz KOPFFGZULKNFOD-TZMCWYRMSA-N 1 0 280.368 2.961 20 5 CFBDRO CC[NH+](CC)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000123998175 187117770 /nfs/dbraw/zinc/11/77/70/187117770.db2.gz GKHGRRYAHFSFPJ-UHFFFAOYSA-N 1 0 251.330 2.657 20 5 CFBDRO Cc1c(C[N@H+](C)CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000124310323 187131861 /nfs/dbraw/zinc/13/18/61/187131861.db2.gz HPDZUOHLRDMMCQ-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CO ZINC000615726115 352236326 /nfs/dbraw/zinc/23/63/26/352236326.db2.gz VXBLPDJNSDZDDM-KPKJPENVSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271473427 191158554 /nfs/dbraw/zinc/15/85/54/191158554.db2.gz IRJFPBSTURIHTI-NEPJUHHUSA-N 1 0 288.351 2.990 20 5 CFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2COC)ccc1[N+](=O)[O-] ZINC000617206899 352514051 /nfs/dbraw/zinc/51/40/51/352514051.db2.gz WIUCYSLDAGRONK-CYBMUJFWSA-N 1 0 294.351 2.604 20 5 CFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000271571952 191218398 /nfs/dbraw/zinc/21/83/98/191218398.db2.gz VYVURBBDCHRUJZ-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO CC(C)COCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135457779 187831203 /nfs/dbraw/zinc/83/12/03/187831203.db2.gz AUQDCCQYFLPITO-GFCCVEGCSA-N 1 0 266.341 2.918 20 5 CFBDRO CC(C)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618275942 352744597 /nfs/dbraw/zinc/74/45/97/352744597.db2.gz TXMAXNOTHIOYOS-UHFFFAOYSA-N 1 0 276.340 2.949 20 5 CFBDRO Cc1c(C[N@@H+]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000618318372 352751913 /nfs/dbraw/zinc/75/19/13/352751913.db2.gz VJIMPJDULVKWLD-UHFFFAOYSA-N 1 0 276.336 2.658 20 5 CFBDRO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000618569095 352812198 /nfs/dbraw/zinc/81/21/98/352812198.db2.gz HKUSSTNIXYSDBS-HNNXBMFYSA-N 1 0 286.335 2.794 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136998399 187891316 /nfs/dbraw/zinc/89/13/16/187891316.db2.gz SPHAOAPNTDIFON-MJVIPROJSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CSC2)cc(C(F)(F)F)c1 ZINC000618824710 352886016 /nfs/dbraw/zinc/88/60/16/352886016.db2.gz CRGFONDLFBVDLQ-UHFFFAOYSA-N 1 0 292.282 2.819 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000619426159 353020899 /nfs/dbraw/zinc/02/08/99/353020899.db2.gz SZNVQXJJRWLVIG-IUODEOHRSA-N 1 0 294.351 2.521 20 5 CFBDRO CO[C@@H]1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000619426160 353021011 /nfs/dbraw/zinc/02/10/11/353021011.db2.gz SZNVQXJJRWLVIG-SWLSCSKDSA-N 1 0 294.351 2.521 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000619428031 353021701 /nfs/dbraw/zinc/02/17/01/353021701.db2.gz MYSCKTRSISSVDG-UKRRQHHQSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292257078 198220498 /nfs/dbraw/zinc/22/04/98/198220498.db2.gz YFRPRVUXVXWYBG-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000619705816 353056285 /nfs/dbraw/zinc/05/62/85/353056285.db2.gz SAMUEDKDANARPL-NSHDSACASA-N 1 0 291.351 2.559 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000152322332 188009621 /nfs/dbraw/zinc/00/96/21/188009621.db2.gz XLNROQVQASWOTA-KGLIPLIRSA-N 1 0 278.352 2.544 20 5 CFBDRO CCOc1ccc([C@H](C)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000152544590 188027627 /nfs/dbraw/zinc/02/76/27/188027627.db2.gz MOCNAKIPWMMELH-LBPRGKRZSA-N 1 0 295.383 2.596 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000152972385 188056598 /nfs/dbraw/zinc/05/65/98/188056598.db2.gz XYVVEISJVXCSEV-PHIMTYICSA-N 1 0 252.339 2.888 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000153131698 188066583 /nfs/dbraw/zinc/06/65/83/188066583.db2.gz MSCQCWGYSKXJPU-GHMZBOCLSA-N 1 0 264.300 2.966 20 5 CFBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292358908 198258563 /nfs/dbraw/zinc/25/85/63/198258563.db2.gz CPSVHQZINSOLRI-UHFFFAOYSA-N 1 0 279.315 2.716 20 5 CFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000153824373 188106629 /nfs/dbraw/zinc/10/66/29/188106629.db2.gz FRVRECUYMROTBQ-HNNXBMFYSA-N 1 0 290.363 2.749 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000154078091 188121947 /nfs/dbraw/zinc/12/19/47/188121947.db2.gz QLTAUFSUFCXDBP-VXGBXAGGSA-N 1 0 296.367 2.663 20 5 CFBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000292358240 198257938 /nfs/dbraw/zinc/25/79/38/198257938.db2.gz FQDLOXVZKKOANF-CABCVRRESA-N 1 0 292.379 2.995 20 5 CFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000153824489 188106433 /nfs/dbraw/zinc/10/64/33/188106433.db2.gz FRVRECUYMROTBQ-OAHLLOKOSA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(OC)CC1 ZINC000271669595 191269634 /nfs/dbraw/zinc/26/96/34/191269634.db2.gz ARBNIUJEIIHMBX-UHFFFAOYSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000154576305 188151511 /nfs/dbraw/zinc/15/15/11/188151511.db2.gz SOBNDQRFLWEYTK-QWHCGFSZSA-N 1 0 277.368 2.648 20 5 CFBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000295174042 199387069 /nfs/dbraw/zinc/38/70/69/199387069.db2.gz URHQZQCXADPKLU-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000157818669 188340099 /nfs/dbraw/zinc/34/00/99/188340099.db2.gz LKGDVQSEZHRGAM-NSHDSACASA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1nc(NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000157858039 188343355 /nfs/dbraw/zinc/34/33/55/188343355.db2.gz MOBFITVISNDHAG-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO CC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000158243876 188365528 /nfs/dbraw/zinc/36/55/28/188365528.db2.gz YQKNTNRWJSPNOF-ZIAGYGMSSA-N 1 0 296.392 2.504 20 5 CFBDRO CCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158788828 188394699 /nfs/dbraw/zinc/39/46/99/188394699.db2.gz ZOCKIMLIAPOXGM-LBPRGKRZSA-N 1 0 265.357 2.506 20 5 CFBDRO C[N@H+]1CC=C(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000271836356 191356688 /nfs/dbraw/zinc/35/66/88/191356688.db2.gz PPWUUAOEYIXQND-UHFFFAOYSA-N 1 0 283.278 2.547 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2=CC[N@H+](C)CC2)c1 ZINC000271815343 191344872 /nfs/dbraw/zinc/34/48/72/191344872.db2.gz MNSYMFKXQLLQKL-UHFFFAOYSA-N 1 0 261.325 2.577 20 5 CFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(CO)c1 ZINC000271851258 191366283 /nfs/dbraw/zinc/36/62/83/191366283.db2.gz CQWRXTBKSDKNSZ-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO CC[N@@H+]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272382267 191688268 /nfs/dbraw/zinc/68/82/68/191688268.db2.gz WDOHECVVXCTBBB-AWEZNQCLSA-N 1 0 291.395 2.992 20 5 CFBDRO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272763369 191905247 /nfs/dbraw/zinc/90/52/47/191905247.db2.gz GEIKVFKHZQJLND-VIFPVBQESA-N 1 0 296.758 2.706 20 5 CFBDRO CC(C)C1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000568463386 290554233 /nfs/dbraw/zinc/55/42/33/290554233.db2.gz IEOQLKHLZXJNFI-UHFFFAOYSA-N 1 0 278.352 2.998 20 5 CFBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)CO ZINC000294733376 199158257 /nfs/dbraw/zinc/15/82/57/199158257.db2.gz GNLWDHNMDIPOQS-UHFFFAOYSA-N 1 0 286.759 2.699 20 5 CFBDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000294857897 199216442 /nfs/dbraw/zinc/21/64/42/199216442.db2.gz BTVPFBQZWPDHSU-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO Cc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422560806 237102742 /nfs/dbraw/zinc/10/27/42/237102742.db2.gz HQOKBVRUZXQMIH-GUTXKFCHSA-N 1 0 291.395 2.708 20 5 CFBDRO Cc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000422921087 237349436 /nfs/dbraw/zinc/34/94/36/237349436.db2.gz OTNZLHVMATYWFA-SQPSOYEMSA-N 1 0 289.379 2.837 20 5 CFBDRO COCCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000297408947 200179495 /nfs/dbraw/zinc/17/94/95/200179495.db2.gz MERIRDBOKIOXBV-UHFFFAOYSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000297669058 200258022 /nfs/dbraw/zinc/25/80/22/200258022.db2.gz LABNBVKDPWSZLX-DGCLKSJQSA-N 1 0 286.335 2.629 20 5 CFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000177423850 189050064 /nfs/dbraw/zinc/05/00/64/189050064.db2.gz WMZOCYKMPRBGOL-XHDPSFHLSA-N 1 0 292.335 2.541 20 5 CFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177909910 189078344 /nfs/dbraw/zinc/07/83/44/189078344.db2.gz TUKLRUZXSIWZEA-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO CSCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178002727 189084841 /nfs/dbraw/zinc/08/48/41/189084841.db2.gz RMLFKAOIHRLCNL-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO COCCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178106954 189091263 /nfs/dbraw/zinc/09/12/63/189091263.db2.gz QALHJBFZXRPRME-OAHLLOKOSA-N 1 0 292.379 2.932 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)COC)cc1[N+](=O)[O-] ZINC000179408555 189192813 /nfs/dbraw/zinc/19/28/13/189192813.db2.gz ZSAFKEFWEHSOSL-RYUDHWBXSA-N 1 0 296.367 2.927 20 5 CFBDRO C[C@H](C[NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300319 238355945 /nfs/dbraw/zinc/35/59/45/238355945.db2.gz DMBXDQNKOFDPHE-DYVFJYSZSA-N 1 0 299.374 2.869 20 5 CFBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000301258716 200954375 /nfs/dbraw/zinc/95/43/75/200954375.db2.gz FJZSGQKDCYGXOR-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000183101713 189346672 /nfs/dbraw/zinc/34/66/72/189346672.db2.gz IIEQNCGGVOFGCP-GFCCVEGCSA-N 1 0 286.331 2.938 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000183329675 189355078 /nfs/dbraw/zinc/35/50/78/189355078.db2.gz HSTAMTLCXKWMOF-UHFFFAOYSA-N 1 0 291.395 2.677 20 5 CFBDRO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183717554 189366694 /nfs/dbraw/zinc/36/66/94/189366694.db2.gz GEPYQBKLNAYGGR-CHWSQXEVSA-N 1 0 288.351 2.921 20 5 CFBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183914801 189370675 /nfs/dbraw/zinc/37/06/75/189370675.db2.gz STOKOVZNRFWPKQ-CYBMUJFWSA-N 1 0 286.759 2.889 20 5 CFBDRO COc1cc(C[N@H+](C)CCC2CC2)c([N+](=O)[O-])cc1F ZINC000184268031 189381442 /nfs/dbraw/zinc/38/14/42/189381442.db2.gz SVOVFVWISGLTDM-UHFFFAOYSA-N 1 0 282.315 2.974 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184671655 189391895 /nfs/dbraw/zinc/39/18/95/189391895.db2.gz MGADLRSGBXICPX-XHDPSFHLSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1ccnc(NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302150738 201366769 /nfs/dbraw/zinc/36/67/69/201366769.db2.gz LWQJHBCOWBGIDJ-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO CC1=CC[N@H+](CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000302141863 201361099 /nfs/dbraw/zinc/36/10/99/201361099.db2.gz HKFKBSXSMFOLST-UHFFFAOYSA-N 1 0 261.325 2.659 20 5 CFBDRO Cc1nc(NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302194750 201391333 /nfs/dbraw/zinc/39/13/33/201391333.db2.gz WYPDSFFZPMFSOM-GFCCVEGCSA-N 1 0 292.383 2.975 20 5 CFBDRO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000189680352 189542721 /nfs/dbraw/zinc/54/27/21/189542721.db2.gz ARBUOPGYUSPDSO-UHFFFAOYSA-N 1 0 272.374 2.582 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H](C)O ZINC000433202239 240125458 /nfs/dbraw/zinc/12/54/58/240125458.db2.gz ZQVKEKWFVFWDRL-KIWPFMIBSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000444653390 241161255 /nfs/dbraw/zinc/16/12/55/241161255.db2.gz WFOXILYFYKYDIN-UWVGGRQHSA-N 1 0 274.324 2.559 20 5 CFBDRO CCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511751 241378385 /nfs/dbraw/zinc/37/83/85/241378385.db2.gz VFPNNDWHSNMEEP-VXGBXAGGSA-N 1 0 266.345 2.665 20 5 CFBDRO CC(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447521587 241381870 /nfs/dbraw/zinc/38/18/70/241381870.db2.gz WPLZHEDANLPGGK-RYUDHWBXSA-N 1 0 266.345 2.521 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447554348 241385711 /nfs/dbraw/zinc/38/57/11/241385711.db2.gz ZZOKSKSVFAXSQR-NDBYEHHHSA-N 1 0 278.356 2.521 20 5 CFBDRO C[C@H](Cc1ccoc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000449172619 241744431 /nfs/dbraw/zinc/74/44/31/241744431.db2.gz VYCDGDHUOITQHO-GFCCVEGCSA-N 1 0 274.320 2.951 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CC(C)(C)C ZINC000449150931 241725994 /nfs/dbraw/zinc/72/59/94/241725994.db2.gz UTZFNCUAZLAZAP-JSGCOSHPSA-N 1 0 294.395 2.913 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCO ZINC000449167155 241740008 /nfs/dbraw/zinc/74/00/08/241740008.db2.gz IFTWDNJBYFSFFG-GFCCVEGCSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCOC1 ZINC000449240702 241788218 /nfs/dbraw/zinc/78/82/18/241788218.db2.gz ONDVRVSFWBXAAA-OLZOCXBDSA-N 1 0 278.352 2.542 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449276375 241814031 /nfs/dbraw/zinc/81/40/31/241814031.db2.gz RPQIDHVUCAYGSE-MRVWCRGKSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449209538 241767610 /nfs/dbraw/zinc/76/76/10/241767610.db2.gz UUSHNSRUPKELJS-CHWSQXEVSA-N 1 0 280.368 2.524 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000449626452 242072665 /nfs/dbraw/zinc/07/26/65/242072665.db2.gz WQMFRYCUYOYYGE-LLVKDONJSA-N 1 0 283.397 2.572 20 5 CFBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000449630655 242077663 /nfs/dbraw/zinc/07/76/63/242077663.db2.gz NNEWVDKKGFUDDP-XHDPSFHLSA-N 1 0 278.352 2.806 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449549746 242020599 /nfs/dbraw/zinc/02/05/99/242020599.db2.gz AFPKPKGCHQDKAY-UMVBOHGHSA-N 1 0 290.363 2.578 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cs1 ZINC000449552884 242024260 /nfs/dbraw/zinc/02/42/60/242024260.db2.gz KGOQTCMFTKZVIP-AGIUHOORSA-N 1 0 296.392 2.639 20 5 CFBDRO CCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000451441558 242844614 /nfs/dbraw/zinc/84/46/14/242844614.db2.gz RYEDSCSDQJSLQO-NSHDSACASA-N 1 0 268.361 2.633 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H](C)C1 ZINC000452064624 243030290 /nfs/dbraw/zinc/03/02/90/243030290.db2.gz GPFIYBMPWPICOX-AGIUHOORSA-N 1 0 280.372 2.596 20 5 CFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330709230 203140832 /nfs/dbraw/zinc/14/08/32/203140832.db2.gz OEJBJNHXYIHXGO-CABCVRRESA-N 1 0 292.379 2.824 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330920653 203390071 /nfs/dbraw/zinc/39/00/71/203390071.db2.gz ZUJSQCKYIRPBSA-OCCSQVGLSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H](CO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000276278150 193268737 /nfs/dbraw/zinc/26/87/37/193268737.db2.gz DWZFQAHWWFZDQI-CYBMUJFWSA-N 1 0 292.379 2.763 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000276472999 193345293 /nfs/dbraw/zinc/34/52/93/193345293.db2.gz QSYFQUMHSKWEAM-GFCCVEGCSA-N 1 0 278.352 2.720 20 5 CFBDRO CCCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000023991635 372269528 /nfs/dbraw/zinc/26/95/28/372269528.db2.gz BJARCSTXAJXHRD-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO CC(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000036171010 372566188 /nfs/dbraw/zinc/56/61/88/372566188.db2.gz IBKYGWNFZOKKKX-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000036794666 372595294 /nfs/dbraw/zinc/59/52/94/372595294.db2.gz PSRXKWJLVYSWCO-BXUZGUMPSA-N 1 0 293.367 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042815097 372957963 /nfs/dbraw/zinc/95/79/63/372957963.db2.gz IPDYIEQYCPABSA-LBPRGKRZSA-N 1 0 284.743 2.907 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000045655868 373025147 /nfs/dbraw/zinc/02/51/47/373025147.db2.gz FXQGDEQZBCKSRB-GHMZBOCLSA-N 1 0 252.314 2.528 20 5 CFBDRO COC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000045657272 373025458 /nfs/dbraw/zinc/02/54/58/373025458.db2.gz NVGALRYEXHKZFT-VIFPVBQESA-N 1 0 272.732 2.620 20 5 CFBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000047452643 373093179 /nfs/dbraw/zinc/09/31/79/373093179.db2.gz JHGZJVAXNFRVAI-UHFFFAOYSA-N 1 0 299.330 2.909 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000048261943 373157093 /nfs/dbraw/zinc/15/70/93/373157093.db2.gz PWNDEZFWXJFPKH-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CCCC[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049011277 373250995 /nfs/dbraw/zinc/25/09/95/373250995.db2.gz GJGDOHZXFPLKFP-UHFFFAOYSA-N 1 0 286.759 2.843 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000049842618 373321760 /nfs/dbraw/zinc/32/17/60/373321760.db2.gz CJSMQNPDYYUMFR-LBPRGKRZSA-N 1 0 291.351 2.622 20 5 CFBDRO COCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963775 373338336 /nfs/dbraw/zinc/33/83/36/373338336.db2.gz LAYHDTGMWKHRKD-UHFFFAOYSA-N 1 0 272.732 2.764 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051994439 373427231 /nfs/dbraw/zinc/42/72/31/373427231.db2.gz OPFXLHVFQMLPSH-LNSITVRQSA-N 1 0 278.352 2.857 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1NCC[NH+]1CCCCC1 ZINC000060379945 373692785 /nfs/dbraw/zinc/69/27/85/373692785.db2.gz DUCKFCZKRVJPMM-UHFFFAOYSA-N 1 0 267.304 2.632 20 5 CFBDRO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000062078324 373747001 /nfs/dbraw/zinc/74/70/01/373747001.db2.gz BTHIUCSEWZAAHQ-UONOGXRCSA-N 1 0 291.395 2.977 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000066472369 373934787 /nfs/dbraw/zinc/93/47/87/373934787.db2.gz RUNHPOQTIYSCDA-AWEZNQCLSA-N 1 0 287.363 2.826 20 5 CFBDRO C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000067949203 374018264 /nfs/dbraw/zinc/01/82/64/374018264.db2.gz UCKLMHABIVQXKU-CYBMUJFWSA-N 1 0 275.308 2.903 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)C1CCCC1 ZINC000289489461 197371824 /nfs/dbraw/zinc/37/18/24/197371824.db2.gz GCEGZMYBDXHDIN-BOSPYUDASA-N 1 0 290.363 2.749 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000076117828 374535231 /nfs/dbraw/zinc/53/52/31/374535231.db2.gz ZWYMPJAFUAEXQB-JTQLQIEISA-N 1 0 250.298 2.588 20 5 CFBDRO C[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)O ZINC000289483481 197370140 /nfs/dbraw/zinc/37/01/40/197370140.db2.gz BWXAVBKWLRRBSS-VIFPVBQESA-N 1 0 286.759 2.839 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000089981142 374980364 /nfs/dbraw/zinc/98/03/64/374980364.db2.gz YRVVMJIQFWYQKE-UHFFFAOYSA-N 1 0 252.339 2.534 20 5 CFBDRO C[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795055 375029989 /nfs/dbraw/zinc/02/99/89/375029989.db2.gz HLNNMJNZIGMOHN-GXSJLCMTSA-N 1 0 267.304 2.629 20 5 CFBDRO COCC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093103496 375189328 /nfs/dbraw/zinc/18/93/28/375189328.db2.gz LQLUWANDKVWOBU-GQCTYLIASA-N 1 0 290.363 2.966 20 5 CFBDRO COc1cc(C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000093339862 375218116 /nfs/dbraw/zinc/21/81/16/375218116.db2.gz ADLCJOGZYXORBJ-UHFFFAOYSA-N 1 0 294.351 2.844 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000094472680 375363239 /nfs/dbraw/zinc/36/32/39/375363239.db2.gz YPJFWJBRCUNIPY-MWLCHTKSSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000094473070 375363338 /nfs/dbraw/zinc/36/33/38/375363338.db2.gz VWTVNKQRZKTVHV-KOLCDFICSA-N 1 0 252.339 2.578 20 5 CFBDRO CC[C@@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000094721626 375376424 /nfs/dbraw/zinc/37/64/24/375376424.db2.gz VPSKZQUAYJZUGR-CYBMUJFWSA-N 1 0 264.325 2.672 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCC1 ZINC000097934171 375587458 /nfs/dbraw/zinc/58/74/58/375587458.db2.gz WPKGEVIVOKILEZ-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000118419784 376294577 /nfs/dbraw/zinc/29/45/77/376294577.db2.gz ZYECARBVOACRHO-NEPJUHHUSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@H]1SCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000118419806 376297535 /nfs/dbraw/zinc/29/75/35/376297535.db2.gz RWTPXOZBFRACBI-VXGBXAGGSA-N 1 0 296.392 2.799 20 5 CFBDRO C[C@@H](c1ccco1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000119162229 376364943 /nfs/dbraw/zinc/36/49/43/376364943.db2.gz MZIHBMCHRSEOCK-NSHDSACASA-N 1 0 290.323 2.610 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119642623 376446714 /nfs/dbraw/zinc/44/67/14/376446714.db2.gz BGYWUBWMFFKJAM-OUCADQQQSA-N 1 0 278.352 2.979 20 5 CFBDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120001791 376523350 /nfs/dbraw/zinc/52/33/50/376523350.db2.gz URIYZYVCJHHBJM-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1nccn1CCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000120231285 376573403 /nfs/dbraw/zinc/57/34/03/376573403.db2.gz XWBIINPKUTZFBK-UHFFFAOYSA-N 1 0 292.314 2.765 20 5 CFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[C@@H]1O ZINC000120766235 376687855 /nfs/dbraw/zinc/68/78/55/376687855.db2.gz BRTCBZVQDQSGOC-KBPBESRZSA-N 1 0 298.770 2.984 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000122528473 376932861 /nfs/dbraw/zinc/93/28/61/376932861.db2.gz FRCLSMPHKLUJIY-SECBINFHSA-N 1 0 270.716 2.627 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000124375372 377044557 /nfs/dbraw/zinc/04/45/57/377044557.db2.gz ZDPZNGVTUACHOC-XHSDSOJGSA-N 1 0 290.363 2.720 20 5 CFBDRO CCC[C@H]([NH2+]C[C@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000124433846 377050270 /nfs/dbraw/zinc/05/02/70/377050270.db2.gz JTCXQAOVUIPEGT-KGLIPLIRSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129774193 377472215 /nfs/dbraw/zinc/47/22/15/377472215.db2.gz DMPXRIKOLHPFLS-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130990282 377642207 /nfs/dbraw/zinc/64/22/07/377642207.db2.gz BMMVZLOOTSGDJV-CQSZACIVSA-N 1 0 274.324 2.532 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000131290179 377688604 /nfs/dbraw/zinc/68/86/04/377688604.db2.gz OJBAYNPKEVPNLW-SMDDNHRTSA-N 1 0 266.341 2.571 20 5 CFBDRO COC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131922083 377777492 /nfs/dbraw/zinc/77/74/92/377777492.db2.gz NDUBLXFMVIKVLQ-KOLCDFICSA-N 1 0 252.314 2.589 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000131672784 377744487 /nfs/dbraw/zinc/74/44/87/377744487.db2.gz QVLYHGRVWIYAQY-GFCCVEGCSA-N 1 0 293.342 2.656 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000131737413 377753830 /nfs/dbraw/zinc/75/38/30/377753830.db2.gz JLNPPSSMBKENCM-SRVKXCTJSA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000134241085 377997040 /nfs/dbraw/zinc/99/70/40/377997040.db2.gz QDIYQLPYJOIJLZ-LOWVWBTDSA-N 1 0 264.325 2.731 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000148802384 378261305 /nfs/dbraw/zinc/26/13/05/378261305.db2.gz ODTHMJQVRGAMSD-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO COCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000151210912 378306781 /nfs/dbraw/zinc/30/67/81/378306781.db2.gz KFFUOFRVURLULG-UHFFFAOYSA-N 1 0 264.325 2.501 20 5 CFBDRO CC[C@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000151230323 378309233 /nfs/dbraw/zinc/30/92/33/378309233.db2.gz HCBURBCUMPRHCX-AWEZNQCLSA-N 1 0 298.408 2.751 20 5 CFBDRO CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151229639 378309754 /nfs/dbraw/zinc/30/97/54/378309754.db2.gz GEPDUHZUQGHXIW-MNOVXSKESA-N 1 0 292.257 2.559 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152918197 378459744 /nfs/dbraw/zinc/45/97/44/378459744.db2.gz FLULUTIBLLVLRF-ZBFHGGJFSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000152994609 378465984 /nfs/dbraw/zinc/46/59/84/378465984.db2.gz BJYHMZKFMDDHIM-STQMWFEESA-N 1 0 276.336 2.706 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cccnc1)C2 ZINC000153227213 378482965 /nfs/dbraw/zinc/48/29/65/378482965.db2.gz DYOVPTJSRLIDDW-UHFFFAOYSA-N 1 0 269.304 2.548 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154535879 378577890 /nfs/dbraw/zinc/57/78/90/378577890.db2.gz FESCYECDPFEXFJ-SMDDNHRTSA-N 1 0 266.341 2.715 20 5 CFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331138793 378638995 /nfs/dbraw/zinc/63/89/95/378638995.db2.gz DONIUGSWDGPOIT-UONOGXRCSA-N 1 0 298.770 2.889 20 5 CFBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331022737 378616259 /nfs/dbraw/zinc/61/62/59/378616259.db2.gz ZKWSHSQVGQRCBG-LBPRGKRZSA-N 1 0 280.372 2.692 20 5 CFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331281859 378663852 /nfs/dbraw/zinc/66/38/52/378663852.db2.gz ITLKHUCSXZOSKX-UEKVPHQBSA-N 1 0 296.342 2.715 20 5 CFBDRO CC(C)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332666514 378786833 /nfs/dbraw/zinc/78/68/33/378786833.db2.gz DCNCHSDZGSVKFR-UHFFFAOYSA-N 1 0 263.341 2.784 20 5 CFBDRO CC(C)CC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332716259 378794067 /nfs/dbraw/zinc/79/40/67/378794067.db2.gz QFOJDIJDGBSRFP-MRXNPFEDSA-N 1 0 292.379 2.750 20 5 CFBDRO CCOCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000161891141 378878586 /nfs/dbraw/zinc/87/85/86/378878586.db2.gz USDOXJROPJMQIQ-AWEZNQCLSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000162763214 378931515 /nfs/dbraw/zinc/93/15/15/378931515.db2.gz WWEBCDVPNKPGIW-DGCLKSJQSA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1ccncc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000162779011 378932999 /nfs/dbraw/zinc/93/29/99/378932999.db2.gz NSSYRWNXLNUOTD-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163397320 378969608 /nfs/dbraw/zinc/96/96/08/378969608.db2.gz VYNIQLZMGLNIIR-NSHDSACASA-N 1 0 291.351 2.559 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCOC(C)C)cc1[N+](=O)[O-] ZINC000164132772 379007635 /nfs/dbraw/zinc/00/76/35/379007635.db2.gz AGVWUCOFIPBXRY-GFCCVEGCSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000163922392 378997457 /nfs/dbraw/zinc/99/74/57/378997457.db2.gz VHMQSIAKGIEFPQ-QWRGUYRKSA-N 1 0 274.324 2.740 20 5 CFBDRO CCSCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000167495876 379073295 /nfs/dbraw/zinc/07/32/95/379073295.db2.gz XQROXJXTXCEART-UHFFFAOYSA-N 1 0 254.355 2.828 20 5 CFBDRO Cc1cn[nH]c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289451977 197353918 /nfs/dbraw/zinc/35/39/18/197353918.db2.gz HCCQFSARXPLRJY-UHFFFAOYSA-N 1 0 294.742 2.612 20 5 CFBDRO COc1ccc(C[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000170872887 379180389 /nfs/dbraw/zinc/18/03/89/379180389.db2.gz XLYYTROXZFQDKN-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302851148 284765689 /nfs/dbraw/zinc/76/56/89/284765689.db2.gz PXFKZXCRQLHCKC-NSHDSACASA-N 1 0 292.383 2.705 20 5 CFBDRO C[C@@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856276 194184063 /nfs/dbraw/zinc/18/40/63/194184063.db2.gz VYXAUXOPFJWCDJ-NHYWBVRUSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856274 194184410 /nfs/dbraw/zinc/18/44/10/194184410.db2.gz VYXAUXOPFJWCDJ-IAQYHMDHSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278888147 194196873 /nfs/dbraw/zinc/19/68/73/194196873.db2.gz YKDGFCAOSWSNDR-MLGOLLRUSA-N 1 0 291.395 2.902 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171708173 379380245 /nfs/dbraw/zinc/38/02/45/379380245.db2.gz GAJGVKOHCHETQM-OAHLLOKOSA-N 1 0 289.379 2.655 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000171949374 379447242 /nfs/dbraw/zinc/44/72/42/379447242.db2.gz IUMPPIJZUSZIGG-NEPJUHHUSA-N 1 0 293.367 2.900 20 5 CFBDRO CCSCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172748948 379640409 /nfs/dbraw/zinc/64/04/09/379640409.db2.gz OTUUFYSUNHTBNL-UHFFFAOYSA-N 1 0 254.355 2.780 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173344808 379728405 /nfs/dbraw/zinc/72/84/05/379728405.db2.gz WVVHFFAWHJYIIX-UONOGXRCSA-N 1 0 291.395 2.977 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)OC ZINC000174595109 379916253 /nfs/dbraw/zinc/91/62/53/379916253.db2.gz CEJBAVRTYIKDDO-UHFFFAOYSA-N 1 0 282.340 2.508 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000176195071 380192281 /nfs/dbraw/zinc/19/22/81/380192281.db2.gz FKKOXCZWAWARAU-NSHDSACASA-N 1 0 292.364 2.690 20 5 CFBDRO C[N@H+](CCC1CCCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000176225190 380197591 /nfs/dbraw/zinc/19/75/91/380197591.db2.gz KYWWSXRAWYPZJU-UHFFFAOYSA-N 1 0 280.372 2.694 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177873734 380389342 /nfs/dbraw/zinc/38/93/42/380389342.db2.gz HNYMPWZFXUWWIZ-VXGBXAGGSA-N 1 0 264.325 2.704 20 5 CFBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177908249 380392789 /nfs/dbraw/zinc/39/27/89/380392789.db2.gz QSTVUNCGAJUJCI-VXGBXAGGSA-N 1 0 264.325 2.704 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295358074 380807616 /nfs/dbraw/zinc/80/76/16/380807616.db2.gz ZGQBOYRLLLIALA-HNNXBMFYSA-N 1 0 292.379 2.886 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000341282763 380898606 /nfs/dbraw/zinc/89/86/06/380898606.db2.gz OGDVDQUXQQUVDJ-WOPDTQHZSA-N 1 0 296.367 2.804 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000341322167 380933341 /nfs/dbraw/zinc/93/33/41/380933341.db2.gz BABYRHBIZCZEFG-NHCYSSNCSA-N 1 0 266.341 2.713 20 5 CFBDRO CO[C@](C)([C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411946723 381065018 /nfs/dbraw/zinc/06/50/18/381065018.db2.gz LLGMQRZEDLNYLO-BLLLJJGKSA-N 1 0 292.379 2.931 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(C)(C)O ZINC000347356180 381094534 /nfs/dbraw/zinc/09/45/34/381094534.db2.gz LCEGIIMXSLCALB-WQLSENKSSA-N 1 0 278.352 2.701 20 5 CFBDRO Cc1ccc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000368667513 381105179 /nfs/dbraw/zinc/10/51/79/381105179.db2.gz SBJAQSMTMMMGAE-MRXNPFEDSA-N 1 0 292.379 2.744 20 5 CFBDRO CC[N@H+](CCOC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000347330212 381076160 /nfs/dbraw/zinc/07/61/60/381076160.db2.gz FJZQOJBXUAQTNO-LBPRGKRZSA-N 1 0 266.341 2.933 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC ZINC000295920346 381157942 /nfs/dbraw/zinc/15/79/42/381157942.db2.gz DYYLKXFICNDVNP-SNVBAGLBSA-N 1 0 252.314 2.882 20 5 CFBDRO COC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000182661437 381134365 /nfs/dbraw/zinc/13/43/65/381134365.db2.gz GITGHYUJXGHMSH-LLVKDONJSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000295968163 381188471 /nfs/dbraw/zinc/18/84/71/381188471.db2.gz IHZWJZGPLOEYGY-CYBMUJFWSA-N 1 0 289.379 2.511 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341870525 381197953 /nfs/dbraw/zinc/19/79/53/381197953.db2.gz DPHJIMMKRMBORH-LBPRGKRZSA-N 1 0 286.335 2.587 20 5 CFBDRO CC[C@H]([NH2+]CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341889605 381199762 /nfs/dbraw/zinc/19/97/62/381199762.db2.gz RZHABRPMWCGFNZ-HNNXBMFYSA-N 1 0 286.335 2.668 20 5 CFBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000183181263 381229827 /nfs/dbraw/zinc/22/98/27/381229827.db2.gz VBXRRTJXZKRHND-LBPRGKRZSA-N 1 0 294.351 2.677 20 5 CFBDRO Cc1ccc(CN[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000289952828 381231167 /nfs/dbraw/zinc/23/11/67/381231167.db2.gz XRSFYLVDADCXIP-CYBMUJFWSA-N 1 0 279.384 2.722 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183252930 381243015 /nfs/dbraw/zinc/24/30/15/381243015.db2.gz HWAOTJRXVRFYKM-MRXNPFEDSA-N 1 0 291.395 2.819 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000290108481 381301851 /nfs/dbraw/zinc/30/18/51/381301851.db2.gz ILRXYOHRWWAENR-YPMHNXCESA-N 1 0 266.341 2.979 20 5 CFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000354538152 381328943 /nfs/dbraw/zinc/32/89/43/381328943.db2.gz GAJQBIKCQYVXFO-DZGCQCFKSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000290182081 381333964 /nfs/dbraw/zinc/33/39/64/381333964.db2.gz ZGZJRXPHXQCDFP-LLVKDONJSA-N 1 0 274.324 2.520 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cn[nH]c2)C2CC2)cc1 ZINC000347766992 381340071 /nfs/dbraw/zinc/34/00/71/381340071.db2.gz FIEGSKXLPZFIQP-UHFFFAOYSA-N 1 0 286.335 2.525 20 5 CFBDRO CC[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000290140661 381316197 /nfs/dbraw/zinc/31/61/97/381316197.db2.gz KPKHUQZSWHXROI-UKRRQHHQSA-N 1 0 278.352 2.987 20 5 CFBDRO Cc1ccc(C[NH2+]C(C)(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000347778375 381345482 /nfs/dbraw/zinc/34/54/82/381345482.db2.gz ODUNZVZMTKJWTP-UHFFFAOYSA-N 1 0 280.368 2.790 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CO)CCCC1 ZINC000347796815 381353885 /nfs/dbraw/zinc/35/38/85/381353885.db2.gz GZAZWNIQIHQNKC-ALCCZGGFSA-N 1 0 276.336 2.503 20 5 CFBDRO COCC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000296364996 381363331 /nfs/dbraw/zinc/36/33/31/381363331.db2.gz JSUFUFUCXUDVTH-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(CNC2CC([NH+]3CCCCC3)C2)c1 ZINC000370130292 381389267 /nfs/dbraw/zinc/38/92/67/381389267.db2.gz GRPGFDZIJHMBEK-UHFFFAOYSA-N 1 0 289.379 2.701 20 5 CFBDRO CCCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000347931508 381419914 /nfs/dbraw/zinc/41/99/14/381419914.db2.gz ZAIAEASVNQUJET-GFCCVEGCSA-N 1 0 280.372 2.777 20 5 CFBDRO CCCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000184882204 381493691 /nfs/dbraw/zinc/49/36/91/381493691.db2.gz TYZUOMCWKWUDJI-CQSZACIVSA-N 1 0 280.372 2.740 20 5 CFBDRO C[C@@H](O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000354866631 381495423 /nfs/dbraw/zinc/49/54/23/381495423.db2.gz SFRWFEUTYOJNMC-GFCCVEGCSA-N 1 0 278.352 2.720 20 5 CFBDRO COC[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296658844 381495914 /nfs/dbraw/zinc/49/59/14/381495914.db2.gz JTBLHTQHUFKYLQ-OAHLLOKOSA-N 1 0 278.352 2.762 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CC[C@@H]3C3CC3)nc2c1 ZINC000348382608 381543495 /nfs/dbraw/zinc/54/34/95/381543495.db2.gz KZBOJDOLUITRKB-NEPJUHHUSA-N 1 0 286.335 2.749 20 5 CFBDRO CC[C@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348386411 381544892 /nfs/dbraw/zinc/54/48/92/381544892.db2.gz MLJLQOHBQSHYFZ-GXSJLCMTSA-N 1 0 274.324 2.749 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296861423 381546562 /nfs/dbraw/zinc/54/65/62/381546562.db2.gz YWVHXJWOLUDIAA-UHIISALHSA-N 1 0 264.325 2.813 20 5 CFBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@H+]2CC=CCC2)c1 ZINC000296765097 381533212 /nfs/dbraw/zinc/53/32/12/381533212.db2.gz MASUHTIWSQAMPS-UHFFFAOYSA-N 1 0 298.346 2.817 20 5 CFBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000342778598 381534282 /nfs/dbraw/zinc/53/42/82/381534282.db2.gz JJOFEKUNWCOEOK-ZDUSSCGKSA-N 1 0 288.351 2.759 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290840694 381569367 /nfs/dbraw/zinc/56/93/67/381569367.db2.gz ITUJVOXDWSNEPV-PMGBHYCQSA-N 1 0 292.379 2.995 20 5 CFBDRO C[C@@H]1[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000342828050 381571747 /nfs/dbraw/zinc/57/17/47/381571747.db2.gz AQDBRSOFHLATJS-KOLCDFICSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000414765411 381605809 /nfs/dbraw/zinc/60/58/09/381605809.db2.gz FUTYKWSURZLCRY-AVXNYWLKSA-N 1 0 289.379 2.667 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000348545182 381624875 /nfs/dbraw/zinc/62/48/75/381624875.db2.gz SRSRZXNWMQMKIT-HNNXBMFYSA-N 1 0 295.358 2.506 20 5 CFBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H](C)OC ZINC000291012941 381631248 /nfs/dbraw/zinc/63/12/48/381631248.db2.gz BHKKLOVBIQKJRU-LBPRGKRZSA-N 1 0 266.341 2.760 20 5 CFBDRO Cc1cc(NCC[NH2+]C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC000359879169 381654954 /nfs/dbraw/zinc/65/49/54/381654954.db2.gz OEYOGQJOWYVNMW-UHFFFAOYSA-N 1 0 269.320 2.842 20 5 CFBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291069279 381655993 /nfs/dbraw/zinc/65/59/93/381655993.db2.gz LHUZMKLNUFPUDO-LBPRGKRZSA-N 1 0 266.341 2.760 20 5 CFBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CCC[N@@H+]1C ZINC000343442691 381712815 /nfs/dbraw/zinc/71/28/15/381712815.db2.gz MILMKJBLWLOLLP-KWQFWETISA-N 1 0 284.747 2.538 20 5 CFBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000348712070 381679860 /nfs/dbraw/zinc/67/98/60/381679860.db2.gz HIKUVLWMIOXEGE-FSBNRTBOSA-N 1 0 278.352 2.701 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348713172 381681654 /nfs/dbraw/zinc/68/16/54/381681654.db2.gz VTFPQAYGFCUTNN-HJHHMULASA-N 1 0 276.336 2.719 20 5 CFBDRO Cc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000355214059 381682957 /nfs/dbraw/zinc/68/29/57/381682957.db2.gz MVJIMKDSJNLPFK-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185655779 381695652 /nfs/dbraw/zinc/69/56/52/381695652.db2.gz KSPVCEZJGKSWRQ-DFBGVHRSSA-N 1 0 278.352 2.749 20 5 CFBDRO CCc1ccccc1[C@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000415062714 381748664 /nfs/dbraw/zinc/74/86/64/381748664.db2.gz FVVGARJXESJOQA-MRXNPFEDSA-N 1 0 299.374 2.947 20 5 CFBDRO CC(C)CN(CC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000348902695 381761117 /nfs/dbraw/zinc/76/11/17/381761117.db2.gz DEOPYXDGIAPNLA-UHFFFAOYSA-N 1 0 279.384 2.614 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000372148507 381763093 /nfs/dbraw/zinc/76/30/93/381763093.db2.gz GTAPIVBJSOOIOG-NUEKZKHPSA-N 1 0 290.363 2.893 20 5 CFBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000291778590 381771741 /nfs/dbraw/zinc/77/17/41/381771741.db2.gz UQRQIBXLPWLQDT-UHFFFAOYSA-N 1 0 266.341 2.890 20 5 CFBDRO CCC1(C)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000291844095 381776429 /nfs/dbraw/zinc/77/64/29/381776429.db2.gz JFXUQZGAQJMZGA-UHFFFAOYSA-N 1 0 291.351 2.655 20 5 CFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349210497 381849883 /nfs/dbraw/zinc/84/98/83/381849883.db2.gz FHNDVKFLCSDKPN-NXEZZACHSA-N 1 0 283.759 2.777 20 5 CFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415493902 381849995 /nfs/dbraw/zinc/84/99/95/381849995.db2.gz DGZFFBDJUKMRTB-UHFFFAOYSA-N 1 0 294.355 2.542 20 5 CFBDRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343633050 381856082 /nfs/dbraw/zinc/85/60/82/381856082.db2.gz ZCCUEWYDEDCAOI-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362087952 381903405 /nfs/dbraw/zinc/90/34/05/381903405.db2.gz CUIVMXHOIBGEGM-RWMBFGLXSA-N 1 0 278.352 2.524 20 5 CFBDRO CCC[N@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000299393888 381921012 /nfs/dbraw/zinc/92/10/12/381921012.db2.gz SKKOKWVMEKSIOW-UHFFFAOYSA-N 1 0 290.323 2.877 20 5 CFBDRO CCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240989 381957950 /nfs/dbraw/zinc/95/79/50/381957950.db2.gz IXGBLKFOSOADPD-UHFFFAOYSA-N 1 0 266.345 2.618 20 5 CFBDRO CC[NH+](CC)[C@H](C)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000343826426 381966496 /nfs/dbraw/zinc/96/64/96/381966496.db2.gz BILYZPMRVFBMCH-SNVBAGLBSA-N 1 0 299.346 2.885 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000292985277 381935219 /nfs/dbraw/zinc/93/52/19/381935219.db2.gz FYWTZTCFBKDMOR-NSHDSACASA-N 1 0 297.786 2.945 20 5 CFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293017539 381951706 /nfs/dbraw/zinc/95/17/06/381951706.db2.gz OOUIXKKPCGOZRH-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000186797804 382016417 /nfs/dbraw/zinc/01/64/17/382016417.db2.gz YDTQRCDTWANFJR-UXIGCNINSA-N 1 0 278.352 2.857 20 5 CFBDRO CC[N@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000343973511 382043186 /nfs/dbraw/zinc/04/31/86/382043186.db2.gz HLPXQTYRJZOKCV-ZDUSSCGKSA-N 1 0 279.384 2.976 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCO)CCCC2 ZINC000417331528 382043418 /nfs/dbraw/zinc/04/34/18/382043418.db2.gz MGBQLQSXQRHSCK-OAHLLOKOSA-N 1 0 278.352 2.724 20 5 CFBDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000344018856 382069574 /nfs/dbraw/zinc/06/95/74/382069574.db2.gz MSZCBATWFJFPSL-BXUZGUMPSA-N 1 0 264.325 2.672 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186959119 382057627 /nfs/dbraw/zinc/05/76/27/382057627.db2.gz YSHGLNAWHNSIGT-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000186959097 382057977 /nfs/dbraw/zinc/05/79/77/382057977.db2.gz YSHGLNAWHNSIGT-CQSZACIVSA-N 1 0 276.336 2.504 20 5 CFBDRO COc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000362434847 382067105 /nfs/dbraw/zinc/06/71/05/382067105.db2.gz PYBDUHWNQOBCBR-RYUDHWBXSA-N 1 0 294.351 2.570 20 5 CFBDRO CC(C)[C@]1(CO)CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000293177298 382019699 /nfs/dbraw/zinc/01/96/99/382019699.db2.gz VRYQLDQARZQVPC-CQSZACIVSA-N 1 0 298.408 2.887 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](OC)C1CC1 ZINC000293185840 382022537 /nfs/dbraw/zinc/02/25/37/382022537.db2.gz WXUXIVUGUIBNAP-HNNXBMFYSA-N 1 0 294.351 2.508 20 5 CFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000343930209 382026947 /nfs/dbraw/zinc/02/69/47/382026947.db2.gz RQADKDWYDFETMM-JTQLQIEISA-N 1 0 298.774 2.930 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293225227 382036483 /nfs/dbraw/zinc/03/64/83/382036483.db2.gz YKEMUESVDLWTOX-CQSZACIVSA-N 1 0 289.379 2.825 20 5 CFBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000351926897 382072246 /nfs/dbraw/zinc/07/22/46/382072246.db2.gz MHZPXVABRSKQLC-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000362446835 382073522 /nfs/dbraw/zinc/07/35/22/382073522.db2.gz AWSUTUWOQHSUGV-GOEBONIOSA-N 1 0 290.363 2.904 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344024096 382074446 /nfs/dbraw/zinc/07/44/46/382074446.db2.gz VJHZKFRCQZNITO-LLVKDONJSA-N 1 0 264.300 2.966 20 5 CFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000301092670 382078995 /nfs/dbraw/zinc/07/89/95/382078995.db2.gz LLECQOXWURFSDJ-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO CC[N@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)C(C)C ZINC000357259186 382080426 /nfs/dbraw/zinc/08/04/26/382080426.db2.gz GGHBMXWUICTZEE-UHFFFAOYSA-N 1 0 292.383 2.705 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000344102154 382130083 /nfs/dbraw/zinc/13/00/83/382130083.db2.gz DTBDNFIDSFOZQC-ZDUSSCGKSA-N 1 0 284.743 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000352033006 382142510 /nfs/dbraw/zinc/14/25/10/382142510.db2.gz PTYJUEPZUBVLPW-AWEZNQCLSA-N 1 0 292.360 2.522 20 5 CFBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344217497 382206173 /nfs/dbraw/zinc/20/61/73/382206173.db2.gz VXHPAINNXMYONK-CYBMUJFWSA-N 1 0 286.759 2.889 20 5 CFBDRO C[C@@H](C[NH+]1CCCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000187564699 382212184 /nfs/dbraw/zinc/21/21/84/382212184.db2.gz LFYIQCHPBUUDQE-AWEZNQCLSA-N 1 0 291.395 2.949 20 5 CFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352184643 382212223 /nfs/dbraw/zinc/21/22/23/382212223.db2.gz ULAIOFIPTNAZJV-VIFPVBQESA-N 1 0 297.330 2.839 20 5 CFBDRO Cc1ccc2[nH+]ccc(NCCn3cc([N+](=O)[O-])cn3)c2c1 ZINC000302234469 382225162 /nfs/dbraw/zinc/22/51/62/382225162.db2.gz UEAQSLZAZJNEDO-UHFFFAOYSA-N 1 0 297.318 2.760 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000357561345 382226439 /nfs/dbraw/zinc/22/64/39/382226439.db2.gz CFTLPRYEIXIUQN-LBPRGKRZSA-N 1 0 280.372 2.747 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000293789439 382279673 /nfs/dbraw/zinc/27/96/73/382279673.db2.gz CJPUAWZFRLGKLS-OAHLLOKOSA-N 1 0 290.363 2.783 20 5 CFBDRO C[N@H+](CCOCC1CCC1)CCc1ccccc1[N+](=O)[O-] ZINC000419270564 382264507 /nfs/dbraw/zinc/26/45/07/382264507.db2.gz QWNVLIWQRNGHFB-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CC2CCCC2)C1 ZINC000364251550 382291734 /nfs/dbraw/zinc/29/17/34/382291734.db2.gz KJSUBCFNNTZSJY-CYBMUJFWSA-N 1 0 292.383 2.731 20 5 CFBDRO C[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293777005 382274908 /nfs/dbraw/zinc/27/49/08/382274908.db2.gz SYCSCLQUGHHEHW-MLGOLLRUSA-N 1 0 291.395 2.760 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000364327202 382307132 /nfs/dbraw/zinc/30/71/32/382307132.db2.gz IWOYKQTYPNQHRK-LBPRGKRZSA-N 1 0 290.323 2.530 20 5 CFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187975560 382313067 /nfs/dbraw/zinc/31/30/67/382313067.db2.gz CDDFJQVFYHWNGE-IUODEOHRSA-N 1 0 278.352 2.578 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352425042 382325277 /nfs/dbraw/zinc/32/52/77/382325277.db2.gz JJQGYIKRYPVPTG-UHFFFAOYSA-N 1 0 296.367 2.588 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420287886 382342463 /nfs/dbraw/zinc/34/24/63/382342463.db2.gz RSBHYXFTJDIFIB-NEPJUHHUSA-N 1 0 263.341 2.833 20 5 CFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419370040 382300379 /nfs/dbraw/zinc/30/03/79/382300379.db2.gz IYNKCLJZFQJMMZ-GRYCIOLGSA-N 1 0 291.351 2.510 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000304092512 382374997 /nfs/dbraw/zinc/37/49/97/382374997.db2.gz CKXBJTMUZNXMOM-NWDGAFQWSA-N 1 0 284.381 2.782 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(C2)CCCCCC3)c1 ZINC000378020826 382386327 /nfs/dbraw/zinc/38/63/27/382386327.db2.gz WDWYNLLWOSUYBF-UHFFFAOYSA-N 1 0 292.383 2.838 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352545815 382389940 /nfs/dbraw/zinc/38/99/40/382389940.db2.gz MADUMYKOWQFAMW-WDEREUQCSA-N 1 0 264.325 2.834 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[C@@H]1O ZINC000352669338 382444146 /nfs/dbraw/zinc/44/41/46/382444146.db2.gz YYOLDDNPRCNIGY-OLZOCXBDSA-N 1 0 284.743 2.593 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000358014152 382409556 /nfs/dbraw/zinc/40/95/56/382409556.db2.gz BQOHIVFCQCPQEK-JTQLQIEISA-N 1 0 264.325 2.882 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000358020651 382413491 /nfs/dbraw/zinc/41/34/91/382413491.db2.gz FQNAIYZOTVIGRD-QWHCGFSZSA-N 1 0 294.351 2.508 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000352608817 382413817 /nfs/dbraw/zinc/41/38/17/382413817.db2.gz OUURYFBJSOULQF-DGCLKSJQSA-N 1 0 294.326 2.592 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188468150 382420605 /nfs/dbraw/zinc/42/06/05/382420605.db2.gz LUYVBYYWUZRWBL-RISCZKNCSA-N 1 0 293.367 2.502 20 5 CFBDRO CC(C)c1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346674577 382466443 /nfs/dbraw/zinc/46/64/43/382466443.db2.gz IODOZORSXFHQDS-JSGCOSHPSA-N 1 0 291.395 2.887 20 5 CFBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000346704909 382483923 /nfs/dbraw/zinc/48/39/23/382483923.db2.gz ZMTDWXZPTVPWSY-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC([C@H]2CCOC2)C1 ZINC000366248223 382492285 /nfs/dbraw/zinc/49/22/85/382492285.db2.gz HNANCIQCHAPICC-KQIUPUNMSA-N 1 0 288.347 2.576 20 5 CFBDRO CC(C)[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161005 382504344 /nfs/dbraw/zinc/50/43/44/382504344.db2.gz ASLJMOODGGYWHR-YERXGYGTSA-N 1 0 290.363 2.965 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000312284254 382514470 /nfs/dbraw/zinc/51/44/70/382514470.db2.gz SOIRSPOKHUDUIU-NSHDSACASA-N 1 0 281.331 2.876 20 5 CFBDRO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000353392731 382540933 /nfs/dbraw/zinc/54/09/33/382540933.db2.gz HKBWEBZKQYDBGH-WOLRVDTOSA-N 1 0 278.352 2.699 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294968708 382557195 /nfs/dbraw/zinc/55/71/95/382557195.db2.gz ZGELNKSLCBIFOK-ZIBATOQPSA-N 1 0 293.367 2.785 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000382424504 382530421 /nfs/dbraw/zinc/53/04/21/382530421.db2.gz LVJKASVJIBTSEK-WDEREUQCSA-N 1 0 286.335 2.825 20 5 CFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000346828710 382533412 /nfs/dbraw/zinc/53/34/12/382533412.db2.gz IJBHHQWXXJZCJR-UHFFFAOYSA-N 1 0 265.357 2.543 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000358356721 382585644 /nfs/dbraw/zinc/58/56/44/382585644.db2.gz PLXDEGIXHXBDRH-UKRRQHHQSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)CO ZINC000358360087 382586915 /nfs/dbraw/zinc/58/69/15/382586915.db2.gz VGLJMAHMTBUYMN-UONOGXRCSA-N 1 0 294.395 2.914 20 5 CFBDRO CCC[NH2+][C@H](C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000295315689 382615007 /nfs/dbraw/zinc/61/50/07/382615007.db2.gz YQIPKMZNHMBABH-BXUZGUMPSA-N 1 0 293.367 2.550 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000353751861 382625783 /nfs/dbraw/zinc/62/57/83/382625783.db2.gz ZEFOBXJOVJPYAD-BBRMVZONSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[C@@H]([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189860065 382643010 /nfs/dbraw/zinc/64/30/10/382643010.db2.gz HCJAULZJEGXYJD-GFCCVEGCSA-N 1 0 288.294 2.917 20 5 CFBDRO CC[C@H]([NH2+]CCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189860049 382643146 /nfs/dbraw/zinc/64/31/46/382643146.db2.gz HCJAULZJEGXYJD-LBPRGKRZSA-N 1 0 288.294 2.917 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1CC(O)C1 ZINC000190147648 382654711 /nfs/dbraw/zinc/65/47/11/382654711.db2.gz JDWTUYZNQJQPGD-LKSINWNRSA-N 1 0 278.352 2.667 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCO)o1 ZINC000193257367 382717662 /nfs/dbraw/zinc/71/76/62/382717662.db2.gz GJSGUSBNDXFZAL-UHFFFAOYSA-N 1 0 290.319 2.717 20 5 CFBDRO CCCC[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193396798 382719561 /nfs/dbraw/zinc/71/95/61/382719561.db2.gz JTQHCMFDUZPFAA-UHFFFAOYSA-N 1 0 292.383 2.853 20 5 CFBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000336841750 382732068 /nfs/dbraw/zinc/73/20/68/382732068.db2.gz SHEDUYAHLRPJDN-JTQLQIEISA-N 1 0 279.315 2.691 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000194620687 382750159 /nfs/dbraw/zinc/75/01/59/382750159.db2.gz BELFXSKTJIETQF-PWSUYJOCSA-N 1 0 294.351 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000337297132 382796761 /nfs/dbraw/zinc/79/67/61/382796761.db2.gz OQHTZGSGUORZNX-RYUDHWBXSA-N 1 0 286.278 2.845 20 5 CFBDRO Cc1cnc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000576122974 382811498 /nfs/dbraw/zinc/81/14/98/382811498.db2.gz VNKKPYZDUILNLR-STQMWFEESA-N 1 0 293.367 2.655 20 5 CFBDRO CCC(CC)(CO)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000229209904 382851218 /nfs/dbraw/zinc/85/12/18/382851218.db2.gz LFRLALJNCKKPRF-UHFFFAOYSA-N 1 0 280.368 2.792 20 5 CFBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000226248996 382825496 /nfs/dbraw/zinc/82/54/96/382825496.db2.gz HQRPOBPBGAAJKA-AWEZNQCLSA-N 1 0 266.341 2.544 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000226386910 382827608 /nfs/dbraw/zinc/82/76/08/382827608.db2.gz DDZZOFRPQOMNCJ-MNOVXSKESA-N 1 0 266.366 2.999 20 5 CFBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227307598 382835142 /nfs/dbraw/zinc/83/51/42/382835142.db2.gz BQHLYZDRCLXTPT-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000227649743 382839059 /nfs/dbraw/zinc/83/90/59/382839059.db2.gz NUSPKCUNRYJKEK-SNVBAGLBSA-N 1 0 298.774 2.787 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577005485 382844372 /nfs/dbraw/zinc/84/43/72/382844372.db2.gz ZHHXYJNIBODGRK-BXUZGUMPSA-N 1 0 278.352 2.723 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000228219601 382845555 /nfs/dbraw/zinc/84/55/55/382845555.db2.gz VZMCBKBKUINABW-PVUDRZGPSA-N 1 0 298.408 2.711 20 5 CFBDRO C[C@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000230348762 382859663 /nfs/dbraw/zinc/85/96/63/382859663.db2.gz FZQPVSBZNUWZES-AWEZNQCLSA-N 1 0 298.770 2.985 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CC1CCCC1 ZINC000337805989 382867201 /nfs/dbraw/zinc/86/72/01/382867201.db2.gz KLAJCYXXFTXWQG-HNNXBMFYSA-N 1 0 292.379 2.934 20 5 CFBDRO Cc1ccncc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533802815 382911618 /nfs/dbraw/zinc/91/16/18/382911618.db2.gz OVPXGRKJRAIXOM-UHFFFAOYSA-N 1 0 283.331 2.857 20 5 CFBDRO C[C@H](C1CCCCC1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000338366344 383006891 /nfs/dbraw/zinc/00/68/91/383006891.db2.gz IOABQLRKRXIBFJ-GFCCVEGCSA-N 1 0 280.372 2.692 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000495173006 382968215 /nfs/dbraw/zinc/96/82/15/382968215.db2.gz LLDQKTFLFMKGGR-OTDCPUGPSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[C@@]1(O)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495192413 382969134 /nfs/dbraw/zinc/96/91/34/382969134.db2.gz LCFNASPQJQZEJF-IUODEOHRSA-N 1 0 278.352 2.811 20 5 CFBDRO CC[C@]1(O)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495198285 382970560 /nfs/dbraw/zinc/97/05/60/382970560.db2.gz ALQMEQRHCGHJSB-RISCZKNCSA-N 1 0 264.325 2.503 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@H+]1CC=CCC1 ZINC000338711293 383029929 /nfs/dbraw/zinc/02/99/29/383029929.db2.gz JGADBZDUECHNFV-UHFFFAOYSA-N 1 0 281.743 2.922 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)c1ccccc1 ZINC000423248632 383052684 /nfs/dbraw/zinc/05/26/84/383052684.db2.gz NRESEOLQNZREMJ-CZUORRHYSA-N 1 0 299.374 2.815 20 5 CFBDRO CC1(C)C[C@H](N[C@@H](C[NH3+])C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423265455 383053766 /nfs/dbraw/zinc/05/37/66/383053766.db2.gz AVJQKMCHSOGDRX-GJZGRUSLSA-N 1 0 289.379 2.644 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000448362734 383057528 /nfs/dbraw/zinc/05/75/28/383057528.db2.gz OWFPCQRJOLADDU-XCHKQJEOSA-N 1 0 290.363 2.701 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000246447319 383077050 /nfs/dbraw/zinc/07/70/50/383077050.db2.gz PALFVURFXUJQQI-SNPRPXQTSA-N 1 0 294.399 2.842 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000246922324 383121494 /nfs/dbraw/zinc/12/14/94/383121494.db2.gz GMXLUFPWXZPNNM-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]1CC[N@H+](CCNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000554002256 383121790 /nfs/dbraw/zinc/12/17/90/383121790.db2.gz YFYKVWQFKZWBSH-YVZNUBBCSA-N 1 0 289.379 2.539 20 5 CFBDRO Cc1ccc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596434970 383126545 /nfs/dbraw/zinc/12/65/45/383126545.db2.gz YHGFXLMMBIMGFX-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000449092675 383172659 /nfs/dbraw/zinc/17/26/59/383172659.db2.gz MQAJLFHEUKFXAW-LLVKDONJSA-N 1 0 260.293 2.909 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449109000 383179676 /nfs/dbraw/zinc/17/96/76/383179676.db2.gz WQKQHBMUIUFOQP-LBPRGKRZSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1CCO ZINC000449262259 383188337 /nfs/dbraw/zinc/18/83/37/383188337.db2.gz HAGOXUPBNMZBNM-IPYPFGDCSA-N 1 0 292.379 2.667 20 5 CFBDRO CCOC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449264406 383189629 /nfs/dbraw/zinc/18/96/29/383189629.db2.gz MFWRIYTWWKSLIG-LBPRGKRZSA-N 1 0 280.368 2.931 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247157128 383148264 /nfs/dbraw/zinc/14/82/64/383148264.db2.gz UAJUJUSFPDRRTM-ZIAGYGMSSA-N 1 0 291.395 2.977 20 5 CFBDRO Cc1cnc(OC[C@@H]2CCCC[N@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000339115293 383154581 /nfs/dbraw/zinc/15/45/81/383154581.db2.gz NPGMRJQKQGEEMG-ZDUSSCGKSA-N 1 0 293.367 2.940 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449089944 383169991 /nfs/dbraw/zinc/16/99/91/383169991.db2.gz FMCXADHYNXIIQD-TZMCWYRMSA-N 1 0 280.368 2.522 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449377863 383247449 /nfs/dbraw/zinc/24/74/49/383247449.db2.gz POJFRMLHWJEISN-CQSZACIVSA-N 1 0 266.341 2.808 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339586944 383254500 /nfs/dbraw/zinc/25/45/00/383254500.db2.gz NZVLVLTWZMWPAB-QWRGUYRKSA-N 1 0 268.288 2.584 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248629749 383274480 /nfs/dbraw/zinc/27/44/80/383274480.db2.gz OUGLIDLDEJXZGM-HOCLYGCPSA-N 1 0 290.363 2.904 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000449415808 383276555 /nfs/dbraw/zinc/27/65/55/383276555.db2.gz QAUPDQIFRGYUAW-VURMDHGXSA-N 1 0 278.352 2.558 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449335805 383225377 /nfs/dbraw/zinc/22/53/77/383225377.db2.gz LXCMXIRWGPYIJV-UTUOFQBUSA-N 1 0 266.341 2.539 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248358204 383229106 /nfs/dbraw/zinc/22/91/06/383229106.db2.gz QMPLRWKBXSMEJD-GRYCIOLGSA-N 1 0 291.351 2.652 20 5 CFBDRO CO[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000249226149 383334672 /nfs/dbraw/zinc/33/46/72/383334672.db2.gz UXKFPZITMQILRS-DOMZBBRYSA-N 1 0 278.352 2.760 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000567994901 383342982 /nfs/dbraw/zinc/34/29/82/383342982.db2.gz XUYXITOYSQJFEZ-HOCLYGCPSA-N 1 0 292.379 2.620 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000466819793 383345405 /nfs/dbraw/zinc/34/54/05/383345405.db2.gz RZOOOPFZWODAOC-RISCZKNCSA-N 1 0 275.352 2.798 20 5 CFBDRO C[C@@H](CCCCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449432744 383291805 /nfs/dbraw/zinc/29/18/05/383291805.db2.gz IXRFMFDOBGVOPT-STQMWFEESA-N 1 0 280.368 2.667 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449479685 383321042 /nfs/dbraw/zinc/32/10/42/383321042.db2.gz VVRQIRZCQFFNOJ-AWEZNQCLSA-N 1 0 266.341 2.808 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000467782580 383355726 /nfs/dbraw/zinc/35/57/26/383355726.db2.gz CGVBBACGDOISCG-SNVBAGLBSA-N 1 0 299.346 2.885 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250075941 383370137 /nfs/dbraw/zinc/37/01/37/383370137.db2.gz DFIPQBYLHAEDFU-RRFJBIMHSA-N 1 0 289.379 2.605 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000340201519 383381038 /nfs/dbraw/zinc/38/10/38/383381038.db2.gz KAKDGKNXFDSJQC-JTQLQIEISA-N 1 0 282.340 2.507 20 5 CFBDRO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252649368 383423574 /nfs/dbraw/zinc/42/35/74/383423574.db2.gz WWAYETPSKNTSPB-QEJZJMRPSA-N 1 0 289.379 2.872 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000526966485 383442313 /nfs/dbraw/zinc/44/23/13/383442313.db2.gz WUDCBENPJUBPEF-TUAOUCFPSA-N 1 0 266.341 2.977 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccno3)C2)cc1 ZINC000569195841 383475787 /nfs/dbraw/zinc/47/57/87/383475787.db2.gz WRRNZGMFAVXGBG-ZDUSSCGKSA-N 1 0 287.319 2.962 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255627249 383485085 /nfs/dbraw/zinc/48/50/85/383485085.db2.gz YJTJVZQQDGQYGX-GTBONMDNSA-N 1 0 289.379 2.634 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428555619 383491195 /nfs/dbraw/zinc/49/11/95/383491195.db2.gz ZADLFJZWQQBPBS-CQSZACIVSA-N 1 0 298.342 2.866 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000429320495 383518546 /nfs/dbraw/zinc/51/85/46/383518546.db2.gz BHVMOEFXVRAJBN-AWEZNQCLSA-N 1 0 298.342 2.600 20 5 CFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429486775 383536945 /nfs/dbraw/zinc/53/69/45/383536945.db2.gz BKWIKLWFEHNNJI-OCCSQVGLSA-N 1 0 282.315 2.781 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C1CC1 ZINC000569826092 383541560 /nfs/dbraw/zinc/54/15/60/383541560.db2.gz WVIQOAHIGAEDIN-ABAIWWIYSA-N 1 0 289.379 2.654 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451321562 383589611 /nfs/dbraw/zinc/58/96/11/383589611.db2.gz CSBAFPSSQFTONJ-NSHDSACASA-N 1 0 282.365 2.541 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000450948184 383563142 /nfs/dbraw/zinc/56/31/42/383563142.db2.gz DZDOCOAFTJXNSG-LBPRGKRZSA-N 1 0 263.341 2.514 20 5 CFBDRO CO[C@H](C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546742 383641276 /nfs/dbraw/zinc/64/12/76/383641276.db2.gz JOSWFVZGXIPODB-TZMCWYRMSA-N 1 0 278.352 2.809 20 5 CFBDRO CC1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)COC1 ZINC000451548084 383642520 /nfs/dbraw/zinc/64/25/20/383642520.db2.gz MMWIZZLMCMUFHV-AWEZNQCLSA-N 1 0 290.363 2.811 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451498188 383628943 /nfs/dbraw/zinc/62/89/43/383628943.db2.gz MXGNLQOJDJDGOF-QWHCGFSZSA-N 1 0 282.315 2.637 20 5 CFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCC2)c1 ZINC000264573132 383757483 /nfs/dbraw/zinc/75/74/83/383757483.db2.gz XJBVEOKZXVTMAZ-UHFFFAOYSA-N 1 0 272.251 2.838 20 5 CFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000265059017 383824444 /nfs/dbraw/zinc/82/44/44/383824444.db2.gz RZOGMXVYODOCRG-LSDHHAIUSA-N 1 0 278.352 2.720 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000530676124 383783585 /nfs/dbraw/zinc/78/35/85/383783585.db2.gz PECVZUFTVQPTMO-VXGBXAGGSA-N 1 0 293.367 2.888 20 5 CFBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000453578686 383856747 /nfs/dbraw/zinc/85/67/47/383856747.db2.gz JAVHHUHJPSIKKH-LBPRGKRZSA-N 1 0 278.352 2.890 20 5 CFBDRO Cc1ccnc(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000265272777 383880460 /nfs/dbraw/zinc/88/04/60/383880460.db2.gz VCQGNGOHRRRGCF-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCc2nccs2)cs1 ZINC000265530993 383941015 /nfs/dbraw/zinc/94/10/15/383941015.db2.gz JDQQKDXDTCBPGR-UHFFFAOYSA-N 1 0 283.378 2.835 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532239411 384000169 /nfs/dbraw/zinc/00/01/69/384000169.db2.gz LJZJMSFHXUSAJS-TZMCWYRMSA-N 1 0 291.395 2.896 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000532577127 384048459 /nfs/dbraw/zinc/04/84/59/384048459.db2.gz CXZIUTSLALPHQD-PWSUYJOCSA-N 1 0 291.351 2.572 20 5 CFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000266024908 384056824 /nfs/dbraw/zinc/05/68/24/384056824.db2.gz QBKAOVMYRRAWMH-UHFFFAOYSA-N 1 0 266.341 2.578 20 5 CFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1[N+](=O)[O-] ZINC000266043729 384061764 /nfs/dbraw/zinc/06/17/64/384061764.db2.gz UOHOXIIHCLKMES-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000574464864 384100108 /nfs/dbraw/zinc/10/01/08/384100108.db2.gz WBJPZSFVCPTWIZ-QWRGUYRKSA-N 1 0 291.351 2.641 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCSC1 ZINC000574927177 384167040 /nfs/dbraw/zinc/16/70/40/384167040.db2.gz ZKALUZOZAOXXLU-JOYOIKCWSA-N 1 0 264.350 2.677 20 5 CFBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000266745418 384231291 /nfs/dbraw/zinc/23/12/91/384231291.db2.gz ATSVECNSDFRUDV-RISCZKNCSA-N 1 0 266.341 2.916 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCO1 ZINC000266765506 384234877 /nfs/dbraw/zinc/23/48/77/384234877.db2.gz UXDHMWZZIBUQRJ-VXGBXAGGSA-N 1 0 264.325 2.767 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266804274 384240865 /nfs/dbraw/zinc/24/08/65/384240865.db2.gz SQOWUHXUKAZYMX-ZWNOBZJWSA-N 1 0 266.341 2.652 20 5 CFBDRO Cc1nccn1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266905060 384257636 /nfs/dbraw/zinc/25/76/36/384257636.db2.gz VCHWLXKIZYGSPC-LBPRGKRZSA-N 1 0 288.351 2.841 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000266906471 384259097 /nfs/dbraw/zinc/25/90/97/384259097.db2.gz HXTGQSIXARGOST-CYBMUJFWSA-N 1 0 286.335 2.698 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277341843 384272233 /nfs/dbraw/zinc/27/22/33/384272233.db2.gz FLTBRURNUAISSN-SKDRFNHKSA-N 1 0 284.743 2.763 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267026456 384282375 /nfs/dbraw/zinc/28/23/75/384282375.db2.gz LMNOYMSXHNTYHR-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267056517 384289767 /nfs/dbraw/zinc/28/97/67/384289767.db2.gz HNXZMGUXRAFGKB-HNNXBMFYSA-N 1 0 288.351 2.778 20 5 CFBDRO CC(C)OCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267079656 384294693 /nfs/dbraw/zinc/29/46/93/384294693.db2.gz XNFNMLMTEYVIKZ-UHFFFAOYSA-N 1 0 284.331 2.981 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000267274331 384344507 /nfs/dbraw/zinc/34/45/07/384344507.db2.gz NGGQTMPHQRUTET-VXGBXAGGSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1cnc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267324330 384358508 /nfs/dbraw/zinc/35/85/08/384358508.db2.gz ZKUXJHVJOAJYGI-NWDGAFQWSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1cnc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267324328 384358910 /nfs/dbraw/zinc/35/89/10/384358910.db2.gz ZKUXJHVJOAJYGI-NEPJUHHUSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1ccc(C[NH2+]C2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000277667572 384369988 /nfs/dbraw/zinc/36/99/88/384369988.db2.gz OQGPXGDUNFLLDY-UHFFFAOYSA-N 1 0 256.252 2.791 20 5 CFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)nc1 ZINC000267219178 384327142 /nfs/dbraw/zinc/32/71/42/384327142.db2.gz SKUTZSVLYHXSJY-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1F ZINC000267595980 384421157 /nfs/dbraw/zinc/42/11/57/384421157.db2.gz ITGPJADYHKFQEC-GXFFZTMASA-N 1 0 281.331 2.510 20 5 CFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277875673 384431714 /nfs/dbraw/zinc/43/17/14/384431714.db2.gz NQUIIFONNCDMBK-SKDRFNHKSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267813523 384471385 /nfs/dbraw/zinc/47/13/85/384471385.db2.gz NJDNVJGZNJZVJE-IJLUTSLNSA-N 1 0 291.351 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000220362847 285111870 /nfs/dbraw/zinc/11/18/70/285111870.db2.gz SRBARUBCEIRTCB-CQSZACIVSA-N 1 0 289.379 2.559 20 5 CFBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000278207430 384499409 /nfs/dbraw/zinc/49/94/09/384499409.db2.gz JTLSOLTYSCRUJE-NXEZZACHSA-N 1 0 279.296 2.591 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000278364861 384542207 /nfs/dbraw/zinc/54/22/07/384542207.db2.gz BNKYMCQUWHEOSV-OSMZGAPFSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000268287624 384591858 /nfs/dbraw/zinc/59/18/58/384591858.db2.gz XXLHCCNQEXJYGS-CYBMUJFWSA-N 1 0 292.383 2.688 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279902339 384806326 /nfs/dbraw/zinc/80/63/26/384806326.db2.gz DMSXMWPVJZUIPW-WFASDCNBSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279902334 384807169 /nfs/dbraw/zinc/80/71/69/384807169.db2.gz DMSXMWPVJZUIPW-SWLSCSKDSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOC1)CCC2 ZINC000192839987 285145521 /nfs/dbraw/zinc/14/55/21/285145521.db2.gz MDLBWCQVPSCDAM-SWLSCSKDSA-N 1 0 276.336 2.741 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000270335029 385060784 /nfs/dbraw/zinc/06/07/84/385060784.db2.gz YERISFFTPFNSDI-ZFWWWQNUSA-N 1 0 298.346 2.847 20 5 CFBDRO CC1=CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270353948 385067399 /nfs/dbraw/zinc/06/73/99/385067399.db2.gz QHTYOBNOCFGMQV-UHFFFAOYSA-N 1 0 262.309 2.626 20 5 CFBDRO CN(C)CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000282102198 385211598 /nfs/dbraw/zinc/21/15/98/385211598.db2.gz DFSDHFVHFOEZEY-VMPITWQZSA-N 1 0 289.379 2.682 20 5 CFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])s2)CCCCC1 ZINC000282188358 385241619 /nfs/dbraw/zinc/24/16/19/385241619.db2.gz PBAAOIIMZMSZDM-UHFFFAOYSA-N 1 0 284.385 2.728 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364991810 285160889 /nfs/dbraw/zinc/16/08/89/285160889.db2.gz LRYZSBCSYRSWEC-XJKSGUPXSA-N 1 0 298.342 2.905 20 5 CFBDRO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000271199780 385373666 /nfs/dbraw/zinc/37/36/66/385373666.db2.gz SUDPMHIEEOMRRU-JSGCOSHPSA-N 1 0 278.352 2.639 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000272479311 385548380 /nfs/dbraw/zinc/54/83/80/385548380.db2.gz GMZHQPZVWUNGJR-HIFRSBDPSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccccc1[N+](=O)[O-] ZINC000272516347 385556548 /nfs/dbraw/zinc/55/65/48/385556548.db2.gz NDUOUSZJLVGWGX-GFCCVEGCSA-N 1 0 277.368 2.761 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000272516012 385556876 /nfs/dbraw/zinc/55/68/76/385556876.db2.gz KTVYHQJLARRWNL-ZFWWWQNUSA-N 1 0 278.352 2.578 20 5 CFBDRO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272530547 385559084 /nfs/dbraw/zinc/55/90/84/385559084.db2.gz OVITZUXCPPKUBW-OLZOCXBDSA-N 1 0 288.351 2.921 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286190195 385569441 /nfs/dbraw/zinc/56/94/41/385569441.db2.gz BAJLDMNBRGJDFS-DGCLKSJQSA-N 1 0 293.342 2.797 20 5 CFBDRO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000316939599 285187358 /nfs/dbraw/zinc/18/73/58/285187358.db2.gz AZJJBMLDSVZGAJ-LLVKDONJSA-N 1 0 298.346 2.792 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CC[NH+](C)C ZINC000286384122 385604954 /nfs/dbraw/zinc/60/49/54/385604954.db2.gz SRPQVYNAHWAYCL-JTQLQIEISA-N 1 0 279.340 2.550 20 5 CFBDRO Cc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286332449 385591759 /nfs/dbraw/zinc/59/17/59/385591759.db2.gz LPBUUMHEXQLBFO-KBPBESRZSA-N 1 0 289.379 2.966 20 5 CFBDRO CO[C@H](C)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272866511 385636158 /nfs/dbraw/zinc/63/61/58/385636158.db2.gz YPKMLSJKUSIKNF-MNOVXSKESA-N 1 0 252.314 2.623 20 5 CFBDRO C[N@H+]1CC=C(CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286574297 385654128 /nfs/dbraw/zinc/65/41/28/385654128.db2.gz RWIZMNVRFMOQHZ-UHFFFAOYSA-N 1 0 281.743 2.922 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1OCCC[NH+]1CCCCC1 ZINC000288612043 197126639 /nfs/dbraw/zinc/12/66/39/197126639.db2.gz NOTNGGFBKYSEDI-UHFFFAOYSA-N 1 0 282.315 2.989 20 5 CFBDRO CC(C)(CNc1ncccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276665260 386008083 /nfs/dbraw/zinc/00/80/83/386008083.db2.gz FNFIFIZJEAPIJM-UHFFFAOYSA-N 1 0 278.356 2.524 20 5 CFBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000288499102 197094973 /nfs/dbraw/zinc/09/49/73/197094973.db2.gz HXGGHEXCNHFDOJ-QMTHXVAHSA-N 1 0 292.360 2.868 20 5 CFBDRO CCOc1cc(C[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000276850073 386058563 /nfs/dbraw/zinc/05/85/63/386058563.db2.gz DMRRFYRNUHZHRO-UHFFFAOYSA-N 1 0 252.314 2.835 20 5 CFBDRO CCOc1cc(C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000276880998 386069067 /nfs/dbraw/zinc/06/90/67/386069067.db2.gz ITGOBUQZNWANPT-UHFFFAOYSA-N 1 0 250.298 2.588 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCSC2)cc1 ZINC000288331989 197053432 /nfs/dbraw/zinc/05/34/32/197053432.db2.gz APTVGPMYGOEKGX-GFCCVEGCSA-N 1 0 266.366 2.828 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288236021 197033614 /nfs/dbraw/zinc/03/36/14/197033614.db2.gz FKDUPNSNAYURNK-GFCCVEGCSA-N 1 0 295.358 2.902 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426459372 533219294 /nfs/dbraw/zinc/21/92/94/533219294.db2.gz KKNHXJFPPDBXOI-BXUZGUMPSA-N 1 0 276.336 2.978 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCSC1 ZINC000167444309 533223347 /nfs/dbraw/zinc/22/33/47/533223347.db2.gz YGMGJZQXZNETJL-LLVKDONJSA-N 1 0 282.365 2.589 20 5 CFBDRO COc1cc(NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001168768792 781978964 /nfs/dbraw/zinc/97/89/64/781978964.db2.gz IHILIHFXLZBJEM-UHFFFAOYSA-N 1 0 295.383 2.912 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281581981 195296212 /nfs/dbraw/zinc/29/62/12/195296212.db2.gz DIJOSWPBYAQEOR-RISCZKNCSA-N 1 0 264.325 2.594 20 5 CFBDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928740 533360689 /nfs/dbraw/zinc/36/06/89/533360689.db2.gz ZCTRYHXVMZMNKV-GFCCVEGCSA-N 1 0 277.368 2.730 20 5 CFBDRO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423245287 533431865 /nfs/dbraw/zinc/43/18/65/533431865.db2.gz OLQWOYHBAFKBKV-WBMJQRKESA-N 1 0 285.347 2.945 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCCCF)CC1 ZINC000341829242 130061950 /nfs/dbraw/zinc/06/19/50/130061950.db2.gz AKJAXHTYMWQJKQ-UHFFFAOYSA-N 1 0 295.358 2.857 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N)c2)cc1[N+](=O)[O-] ZINC000191609331 130261748 /nfs/dbraw/zinc/26/17/48/130261748.db2.gz DXNWIOIWHRIGJI-LLVKDONJSA-N 1 0 286.335 2.731 20 5 CFBDRO COc1cc(C[NH2+]CC=C(C)C)c([N+](=O)[O-])cc1OC ZINC000191628625 130266842 /nfs/dbraw/zinc/26/68/42/130266842.db2.gz MWRDDVBYUCQTOP-UHFFFAOYSA-N 1 0 280.324 2.668 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000355363717 130290552 /nfs/dbraw/zinc/29/05/52/130290552.db2.gz IJTSXTOKQYCMBJ-LEWSCRJBSA-N 1 0 278.352 2.744 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+](C(C)C)C(C)C)n1 ZINC000355566877 130314904 /nfs/dbraw/zinc/31/49/04/130314904.db2.gz PCNUQBJZQTWPSG-UHFFFAOYSA-N 1 0 294.399 2.853 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342225231 130397991 /nfs/dbraw/zinc/39/79/91/130397991.db2.gz NDWBIFDFCMDQNY-ZJUUUORDSA-N 1 0 256.252 2.646 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000342227185 130399505 /nfs/dbraw/zinc/39/95/05/130399505.db2.gz YDGDWOCBEAORMA-HUPZIKASSA-N 1 0 268.263 2.851 20 5 CFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248340462 131113338 /nfs/dbraw/zinc/11/33/38/131113338.db2.gz IOQPZPPMZSYDFQ-WOPDTQHZSA-N 1 0 291.351 2.652 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248347922 131115246 /nfs/dbraw/zinc/11/52/46/131115246.db2.gz NYXSHNAERDONJO-ZYHUDNBSSA-N 1 0 291.351 2.572 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](C)OC ZINC000263839648 131343368 /nfs/dbraw/zinc/34/33/68/131343368.db2.gz YBWPZLFNFHQHLW-LLVKDONJSA-N 1 0 282.340 2.508 20 5 CFBDRO Cc1nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000268535349 132023011 /nfs/dbraw/zinc/02/30/11/132023011.db2.gz YEGWSCFAAJLRJT-ZDUSSCGKSA-N 1 0 292.383 2.609 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000268945004 132091797 /nfs/dbraw/zinc/09/17/97/132091797.db2.gz BAPIBAPIDZGOFH-JSGCOSHPSA-N 1 0 296.392 2.783 20 5 CFBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269012610 132100132 /nfs/dbraw/zinc/10/01/32/132100132.db2.gz XQTVJEHZYVNRAK-NWDGAFQWSA-N 1 0 291.351 2.702 20 5 CFBDRO CSC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269035277 132102194 /nfs/dbraw/zinc/10/21/94/132102194.db2.gz TUVIEYUNTLQOMP-SMDDNHRTSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000305864819 393504387 /nfs/dbraw/zinc/50/43/87/393504387.db2.gz MRUQABXWLAPLBU-XQQFMLRXSA-N 1 0 278.352 2.667 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCCCCO)c1 ZINC000224948059 413067576 /nfs/dbraw/zinc/06/75/76/413067576.db2.gz FTEGTAGJSCODHJ-UHFFFAOYSA-N 1 0 286.759 2.891 20 5 CFBDRO CO[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191150917 393589832 /nfs/dbraw/zinc/58/98/32/393589832.db2.gz PYQZWTBYMYLDDF-LLVKDONJSA-N 1 0 290.319 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CCO)CC1)CCC2 ZINC000193319477 393648147 /nfs/dbraw/zinc/64/81/47/393648147.db2.gz SCHIEJNKNYXSER-OAHLLOKOSA-N 1 0 290.363 2.724 20 5 CFBDRO C[C@H]([NH2+]CCc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000411487762 393717814 /nfs/dbraw/zinc/71/78/14/393717814.db2.gz KBSWTWGYBGXOEH-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1cccnc1SCCC[NH+]1CCCC1 ZINC000195035851 393728854 /nfs/dbraw/zinc/72/88/54/393728854.db2.gz QSKGQSDTWNXMID-UHFFFAOYSA-N 1 0 267.354 2.568 20 5 CFBDRO CCSCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606458 393763689 /nfs/dbraw/zinc/76/36/89/393763689.db2.gz PQNMNSIEXZWZIY-UHFFFAOYSA-N 1 0 266.366 2.706 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227650552 393772622 /nfs/dbraw/zinc/77/26/22/393772622.db2.gz GHNDTLOFAXVAOE-SNVBAGLBSA-N 1 0 298.774 2.785 20 5 CFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000424328735 393829741 /nfs/dbraw/zinc/82/97/41/393829741.db2.gz OHVUWJKKQIMLBC-DMDPSCGWSA-N 1 0 296.392 2.578 20 5 CFBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000246480020 393870400 /nfs/dbraw/zinc/87/04/00/393870400.db2.gz RFOJWVPVJKMYFW-RRFJBIMHSA-N 1 0 278.352 2.939 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000428561499 393898935 /nfs/dbraw/zinc/89/89/35/393898935.db2.gz SHVGEBBDQJQYNH-AWEZNQCLSA-N 1 0 298.342 2.866 20 5 CFBDRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246260211 393857288 /nfs/dbraw/zinc/85/72/88/393857288.db2.gz QQFOFQPWNLPXBF-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341878384 393858733 /nfs/dbraw/zinc/85/87/33/393858733.db2.gz RSCSXPASFBMBSI-XUJVJEKNSA-N 1 0 289.379 2.728 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471805145 393917545 /nfs/dbraw/zinc/91/75/45/393917545.db2.gz PQSNGQQNHDWWFV-YPMHNXCESA-N 1 0 278.352 2.673 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000347075986 393936548 /nfs/dbraw/zinc/93/65/48/393936548.db2.gz UVPKCFKPIKKLGC-SWLSCSKDSA-N 1 0 277.368 2.605 20 5 CFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000347163231 393937592 /nfs/dbraw/zinc/93/75/92/393937592.db2.gz INNIOYDAKGLQBM-GFCCVEGCSA-N 1 0 277.368 2.512 20 5 CFBDRO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000261904878 393951729 /nfs/dbraw/zinc/95/17/29/393951729.db2.gz WTAZBDLXINLIQP-UHFFFAOYSA-N 1 0 286.335 2.806 20 5 CFBDRO CN(Cc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000418147217 394021220 /nfs/dbraw/zinc/02/12/20/394021220.db2.gz QPUIBPUQGFIJRD-UHFFFAOYSA-N 1 0 291.395 2.901 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000417394936 393956362 /nfs/dbraw/zinc/95/63/62/393956362.db2.gz DYRUTBGGERCVBC-HCKVZZMMSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000430201547 393966985 /nfs/dbraw/zinc/96/69/85/393966985.db2.gz KONUXVPOXYUPGW-KGLIPLIRSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H]1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000123039432 393975528 /nfs/dbraw/zinc/97/55/28/393975528.db2.gz UDGFFAKLTJGNEA-QWRGUYRKSA-N 1 0 264.325 2.640 20 5 CFBDRO CCCC[C@@H](COC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123250648 393977859 /nfs/dbraw/zinc/97/78/59/393977859.db2.gz VBBWJMGPCMLTCH-AWEZNQCLSA-N 1 0 280.368 2.932 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000123207817 393978179 /nfs/dbraw/zinc/97/81/79/393978179.db2.gz AZOYHASEPAAGPW-PHIMTYICSA-N 1 0 292.335 2.834 20 5 CFBDRO Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000266839430 393984074 /nfs/dbraw/zinc/98/40/74/393984074.db2.gz LPUUYWFZLUPBBC-UHFFFAOYSA-N 1 0 292.383 2.973 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270108977 394010094 /nfs/dbraw/zinc/01/00/94/394010094.db2.gz MHOWMCFZOQLEAK-TYNCELHUSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125773111 394013265 /nfs/dbraw/zinc/01/32/65/394013265.db2.gz PYHYUXAVLVQBOU-GFCCVEGCSA-N 1 0 264.325 2.706 20 5 CFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C\c2ccncc2)c1 ZINC000487572404 394013596 /nfs/dbraw/zinc/01/35/96/394013596.db2.gz LFMPYGBKNYCFPX-RQOWECAXSA-N 1 0 283.331 2.835 20 5 CFBDRO C[NH2+]C[C@@H](C)CNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000420188493 394090749 /nfs/dbraw/zinc/09/07/49/394090749.db2.gz FGSTWFFRCQRXDW-MRVPVSSYSA-N 1 0 271.748 2.824 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000420216607 394097450 /nfs/dbraw/zinc/09/74/50/394097450.db2.gz WZEFOAAVKHMBNN-GFCCVEGCSA-N 1 0 293.367 2.543 20 5 CFBDRO CC(C)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487966637 394033776 /nfs/dbraw/zinc/03/37/76/394033776.db2.gz XFPZFTKDXSETPR-OAHLLOKOSA-N 1 0 295.358 2.506 20 5 CFBDRO Cc1cc(N[C@@H](C)C[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420250958 394105759 /nfs/dbraw/zinc/10/57/59/394105759.db2.gz UVPQDRSMGFXQDM-ZETCQYMHSA-N 1 0 277.246 2.681 20 5 CFBDRO COc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1F ZINC000420269095 394111208 /nfs/dbraw/zinc/11/12/08/394111208.db2.gz AZZLLMOXCSCFIW-VHSXEESVSA-N 1 0 297.330 2.672 20 5 CFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc(F)cc1[N+](=O)[O-] ZINC000420269220 394111269 /nfs/dbraw/zinc/11/12/69/394111269.db2.gz BFSPGRZETBUVHR-FOCQTFQBSA-N 1 0 279.315 2.662 20 5 CFBDRO CC(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420276401 394114024 /nfs/dbraw/zinc/11/40/24/394114024.db2.gz HLEJEGARXKMMRR-DGCLKSJQSA-N 1 0 291.351 2.727 20 5 CFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000420284466 394115892 /nfs/dbraw/zinc/11/58/92/394115892.db2.gz OWGOQEMICTZHKT-RKDXNWHRSA-N 1 0 284.747 2.573 20 5 CFBDRO Cc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000420630553 394121378 /nfs/dbraw/zinc/12/13/78/394121378.db2.gz DWENXMNYWJHCHI-LLVKDONJSA-N 1 0 281.331 2.573 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420938671 394130861 /nfs/dbraw/zinc/13/08/61/394130861.db2.gz KXKYGCJVERAKED-AGIUHOORSA-N 1 0 278.352 2.606 20 5 CFBDRO CC(C)[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284019903 394134379 /nfs/dbraw/zinc/13/43/79/394134379.db2.gz OHMUPHMKDYXNFF-OAHLLOKOSA-N 1 0 278.352 2.576 20 5 CFBDRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047728 394144354 /nfs/dbraw/zinc/14/43/54/394144354.db2.gz NFQVTHLKXBSBHS-RYUDHWBXSA-N 1 0 295.358 2.961 20 5 CFBDRO COC[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493129505 394157663 /nfs/dbraw/zinc/15/76/63/394157663.db2.gz FULLIRAWKVSUKA-JTQLQIEISA-N 1 0 284.743 2.717 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421046090 394168949 /nfs/dbraw/zinc/16/89/49/394168949.db2.gz WCBIXXDJUMAMMR-ZDUSSCGKSA-N 1 0 278.352 2.579 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCC1(O)CCC1 ZINC000421373646 394207454 /nfs/dbraw/zinc/20/74/54/394207454.db2.gz MUUIPUJLTRWVFO-XVNBXDOJSA-N 1 0 290.363 2.893 20 5 CFBDRO Cc1c(NC(=O)C[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000364485529 394220505 /nfs/dbraw/zinc/22/05/05/394220505.db2.gz NITAAZRWUJFISF-LBPRGKRZSA-N 1 0 291.351 2.622 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[NH+]3CCC2CC3)ccc1Cl ZINC000364495178 394221092 /nfs/dbraw/zinc/22/10/92/394221092.db2.gz YTFBHQAMXGRFPS-UHFFFAOYSA-N 1 0 295.770 2.528 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449141579 394228255 /nfs/dbraw/zinc/22/82/55/394228255.db2.gz FBHPNHGCZAEHAC-HUBLWGQQSA-N 1 0 280.368 2.522 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449145487 394228944 /nfs/dbraw/zinc/22/89/44/394228944.db2.gz LKVJIDZSTQYAKF-IUODEOHRSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000449149174 394230523 /nfs/dbraw/zinc/23/05/23/394230523.db2.gz MJSRTQYOVPKENI-WFASDCNBSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cscn1 ZINC000449171842 394240926 /nfs/dbraw/zinc/24/09/26/394240926.db2.gz UYYWGMRIYOCIIB-LLVKDONJSA-N 1 0 291.376 2.815 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000449205791 394251749 /nfs/dbraw/zinc/25/17/49/394251749.db2.gz MEQDXDRSBYSHSX-QWRGUYRKSA-N 1 0 274.324 2.600 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000362975203 394193117 /nfs/dbraw/zinc/19/31/17/394193117.db2.gz DQKOPJFQEPVGKP-NHYWBVRUSA-N 1 0 296.367 2.754 20 5 CFBDRO Cc1c(C[N@@H+](C(C)C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000291790650 394260939 /nfs/dbraw/zinc/26/09/39/394260939.db2.gz MSBPJUZNDXONQP-AWEZNQCLSA-N 1 0 278.352 2.903 20 5 CFBDRO CC[C@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]1 ZINC000423083570 394266038 /nfs/dbraw/zinc/26/60/38/394266038.db2.gz YYZIDPILKRWAEP-KBPBESRZSA-N 1 0 277.368 2.523 20 5 CFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630789 394282403 /nfs/dbraw/zinc/28/24/03/394282403.db2.gz JEIYXTKIYBFMQV-CABCVRRESA-N 1 0 290.363 2.984 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153682877 394289314 /nfs/dbraw/zinc/28/93/14/394289314.db2.gz AVVHVCBOQBJANZ-SECBINFHSA-N 1 0 286.763 2.785 20 5 CFBDRO CC[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000153676750 394289563 /nfs/dbraw/zinc/28/95/63/394289563.db2.gz POVYINQIEFSCPX-UHFFFAOYSA-N 1 0 286.763 2.785 20 5 CFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000294132250 394289661 /nfs/dbraw/zinc/28/96/61/394289661.db2.gz FPZYPOQGTMPLRG-FZMZJTMJSA-N 1 0 266.341 2.746 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423573196 394299050 /nfs/dbraw/zinc/29/90/50/394299050.db2.gz ZDUVPWLSMYBJTE-OCCSQVGLSA-N 1 0 277.368 2.696 20 5 CFBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000295836870 394303734 /nfs/dbraw/zinc/30/37/34/394303734.db2.gz ZFPKNYSHQQOMTM-XZUYRWCXSA-N 1 0 264.325 2.811 20 5 CFBDRO CCOc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000494239537 394345966 /nfs/dbraw/zinc/34/59/66/394345966.db2.gz YCEOIWIMRVHMRI-NHYWBVRUSA-N 1 0 294.351 2.651 20 5 CFBDRO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104159 394357602 /nfs/dbraw/zinc/35/76/02/394357602.db2.gz PVBRRMPJKXCQHN-GXTWGEPZSA-N 1 0 277.368 2.730 20 5 CFBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176270340 394381191 /nfs/dbraw/zinc/38/11/91/394381191.db2.gz LRRWEYFQFYQDDQ-QWHCGFSZSA-N 1 0 280.372 2.692 20 5 CFBDRO CC1(C)COC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453354060 394389912 /nfs/dbraw/zinc/38/99/12/394389912.db2.gz IFAWNMNXIBUTKP-HUUCEWRRSA-N 1 0 290.363 2.987 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000545310272 394790392 /nfs/dbraw/zinc/79/03/92/394790392.db2.gz ZCQPKLKQUZWSNB-OEFFGFFESA-N 1 0 278.352 2.881 20 5 CFBDRO CCOc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000547769051 394888528 /nfs/dbraw/zinc/88/85/28/394888528.db2.gz ISDXMGLNAYFPGK-QWRGUYRKSA-N 1 0 264.325 2.976 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000548066596 394907971 /nfs/dbraw/zinc/90/79/71/394907971.db2.gz FVEUQKKAVJUNHH-CYBMUJFWSA-N 1 0 288.351 2.612 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(F)CC1 ZINC000555340229 394972218 /nfs/dbraw/zinc/97/22/18/394972218.db2.gz UJFCFZZKMRVGEY-UHFFFAOYSA-N 1 0 252.289 2.571 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000558254431 395055600 /nfs/dbraw/zinc/05/56/00/395055600.db2.gz CHJZDLAXJGODEA-CHWSQXEVSA-N 1 0 280.368 2.818 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@@H+]1C ZINC000421010770 397572205 /nfs/dbraw/zinc/57/22/05/397572205.db2.gz RDXAQRQSAKHMJO-QWHCGFSZSA-N 1 0 277.368 2.682 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356848707 155393163 /nfs/dbraw/zinc/39/31/63/155393163.db2.gz OTJUKYHLMURVFR-RYUDHWBXSA-N 1 0 294.351 2.508 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348107156 154322683 /nfs/dbraw/zinc/32/26/83/154322683.db2.gz IXCHSUOZEZZNAX-KBPBESRZSA-N 1 0 276.336 2.882 20 5 CFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348128921 154331842 /nfs/dbraw/zinc/33/18/42/154331842.db2.gz WLHZHFBQXHHROH-ZIAGYGMSSA-N 1 0 260.337 2.916 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348155752 154343127 /nfs/dbraw/zinc/34/31/27/154343127.db2.gz ZCKGOJKHIXSERJ-MFKMUULPSA-N 1 0 298.770 2.889 20 5 CFBDRO CCCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355785843 155086229 /nfs/dbraw/zinc/08/62/29/155086229.db2.gz MCWYSXBEWASOBZ-UHFFFAOYSA-N 1 0 268.361 2.729 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367047730 156271806 /nfs/dbraw/zinc/27/18/06/156271806.db2.gz MGXKEECTGVJEFK-HNNXBMFYSA-N 1 0 276.336 2.658 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374400080 157108536 /nfs/dbraw/zinc/10/85/36/157108536.db2.gz OPKHIXLLMFLMIG-NWDGAFQWSA-N 1 0 294.326 2.592 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000375144673 157201528 /nfs/dbraw/zinc/20/15/28/157201528.db2.gz UEBNOIOJICYCLU-CVEARBPZSA-N 1 0 290.363 2.890 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC000375325504 157228917 /nfs/dbraw/zinc/22/89/17/157228917.db2.gz DZZHFRPPKOWDCT-HNNXBMFYSA-N 1 0 276.336 2.658 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000376464858 157358257 /nfs/dbraw/zinc/35/82/57/157358257.db2.gz UADLUDDNAUTUAS-UHFFFAOYSA-N 1 0 276.336 2.658 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343404246 161757608 /nfs/dbraw/zinc/75/76/08/161757608.db2.gz QTEAQHBCWADNOZ-CVEARBPZSA-N 1 0 299.330 2.610 20 5 CFBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000344370934 162026926 /nfs/dbraw/zinc/02/69/26/162026926.db2.gz OLZQNSUQZGQBDV-CSPWOOARSA-N 1 0 276.336 2.624 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C1CC1 ZINC000344788163 162122301 /nfs/dbraw/zinc/12/23/01/162122301.db2.gz DRSGJKQWNYAHCI-LJEUOOAZSA-N 1 0 290.363 2.749 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCCC1 ZINC000344818810 162128874 /nfs/dbraw/zinc/12/88/74/162128874.db2.gz FXTDYXFENKROMR-LCYFTJDESA-N 1 0 290.363 2.893 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)COC1 ZINC000344842546 162132558 /nfs/dbraw/zinc/13/25/58/162132558.db2.gz GPWUFNXXLNMMIQ-SDQBBNPISA-N 1 0 276.336 2.624 20 5 CFBDRO COCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344856882 162135119 /nfs/dbraw/zinc/13/51/19/162135119.db2.gz NHVFAMBOBGRQRZ-FMIVXFBMSA-N 1 0 264.325 2.624 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCCO ZINC000345030858 162165227 /nfs/dbraw/zinc/16/52/27/162165227.db2.gz LGULHSRZRZQXHA-SRXBQZRASA-N 1 0 278.352 2.749 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000345102412 162179880 /nfs/dbraw/zinc/17/98/80/162179880.db2.gz ZXSMGHBMPALETP-UHFFFAOYSA-N 1 0 276.292 2.699 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000345174290 162194965 /nfs/dbraw/zinc/19/49/65/162194965.db2.gz ONXFAIBWRFCNPR-NEPJUHHUSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346180493 162342093 /nfs/dbraw/zinc/34/20/93/162342093.db2.gz BYWNFCJJUOFUES-ZIAGYGMSSA-N 1 0 291.395 2.552 20 5 CFBDRO CCC[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000346343322 162389082 /nfs/dbraw/zinc/38/90/82/162389082.db2.gz HDHYGLASMIQCBM-UHFFFAOYSA-N 1 0 279.340 2.574 20 5 CFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347562445 162724850 /nfs/dbraw/zinc/72/48/50/162724850.db2.gz OHUANDZMKJWELN-NSHDSACASA-N 1 0 287.319 2.849 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350240928 163067176 /nfs/dbraw/zinc/06/71/76/163067176.db2.gz CJVBGGCBMPHVRP-SMDDNHRTSA-N 1 0 282.315 2.639 20 5 CFBDRO CCOC1CC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000351851669 163203905 /nfs/dbraw/zinc/20/39/05/163203905.db2.gz JLEUFLXUPWSXTC-UHFFFAOYSA-N 1 0 278.352 2.842 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352676049 163220866 /nfs/dbraw/zinc/22/08/66/163220866.db2.gz SQVMZDUXYWMQQW-DDTOSNHZSA-N 1 0 264.325 2.501 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000353023714 163291424 /nfs/dbraw/zinc/29/14/24/163291424.db2.gz XQQHRBKKWPLJLV-ZWNOBZJWSA-N 1 0 266.366 2.744 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353507730 163380302 /nfs/dbraw/zinc/38/03/02/163380302.db2.gz CNFKWZCQLBQSQT-ZFWWWQNUSA-N 1 0 278.352 2.654 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1(O)CCC1 ZINC000353505269 163380687 /nfs/dbraw/zinc/38/06/87/163380687.db2.gz CLKNQEVSGHWEOS-LBPRGKRZSA-N 1 0 278.352 2.811 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353851445 163464932 /nfs/dbraw/zinc/46/49/32/163464932.db2.gz QMEXSKNQBWGSJH-SMDDNHRTSA-N 1 0 278.352 2.572 20 5 CFBDRO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423536031 287054220 /nfs/dbraw/zinc/05/42/20/287054220.db2.gz YXXQFPZEUDVEQK-ABAIWWIYSA-N 1 0 277.368 2.763 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCC1 ZINC000340821629 287151863 /nfs/dbraw/zinc/15/18/63/287151863.db2.gz QUZXVWWYWOEABY-ZDUSSCGKSA-N 1 0 277.368 2.683 20 5 CFBDRO CC(C)(C)[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284192522 196000553 /nfs/dbraw/zinc/00/05/53/196000553.db2.gz YGVCNAAUVCUHAP-HNNXBMFYSA-N 1 0 292.379 2.966 20 5 CFBDRO CCC[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020190042 171056995 /nfs/dbraw/zinc/05/69/95/171056995.db2.gz IQQUHZOWMRGGSN-UHFFFAOYSA-N 1 0 277.368 2.559 20 5 CFBDRO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035258928 172090714 /nfs/dbraw/zinc/09/07/14/172090714.db2.gz WEJWUZISIXJDOZ-CYBMUJFWSA-N 1 0 277.368 2.559 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035273839 172094082 /nfs/dbraw/zinc/09/40/82/172094082.db2.gz WJLHNNNHSXPZBB-FZMZJTMJSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285107388 196197980 /nfs/dbraw/zinc/19/79/80/196197980.db2.gz KQJKPOXDHYBAEZ-UWVGGRQHSA-N 1 0 281.381 2.581 20 5 CFBDRO CN(Cc1csc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285459680 196290497 /nfs/dbraw/zinc/29/04/97/196290497.db2.gz JQGAQISYRWBTEG-FUNVUKJBSA-N 1 0 295.408 2.713 20 5 CFBDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177214 173010442 /nfs/dbraw/zinc/01/04/42/173010442.db2.gz UPWXHKDREYAGAU-GFCCVEGCSA-N 1 0 274.324 2.532 20 5 CFBDRO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000038089146 174102135 /nfs/dbraw/zinc/10/21/35/174102135.db2.gz AUJKCQYUXMILMT-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038096056 174110426 /nfs/dbraw/zinc/11/04/26/174110426.db2.gz MYXLIPBWKXPRNY-BXUZGUMPSA-N 1 0 264.325 2.815 20 5 CFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040444307 174264148 /nfs/dbraw/zinc/26/41/48/174264148.db2.gz HOYRLOARQSBJMC-UHFFFAOYSA-N 1 0 263.341 2.739 20 5 CFBDRO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672644 174370040 /nfs/dbraw/zinc/37/00/40/174370040.db2.gz PPURQQRGNKBNHI-UKRRQHHQSA-N 1 0 277.368 2.730 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044572619 175210401 /nfs/dbraw/zinc/21/04/01/175210401.db2.gz ABMYWOAWWWWLKI-SNVBAGLBSA-N 1 0 267.304 2.629 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045036475 175294612 /nfs/dbraw/zinc/29/46/12/175294612.db2.gz OOSPSSJDHMNUNV-MNOVXSKESA-N 1 0 252.314 2.670 20 5 CFBDRO CCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071332201 176125512 /nfs/dbraw/zinc/12/55/12/176125512.db2.gz FLRZGFUHGCVETC-ZDUSSCGKSA-N 1 0 297.786 2.822 20 5 CFBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000076850471 177120661 /nfs/dbraw/zinc/12/06/61/177120661.db2.gz HPTJSKIXIGHPNO-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000077460855 177272130 /nfs/dbraw/zinc/27/21/30/177272130.db2.gz IPVSIKFTPJSKQF-CQSZACIVSA-N 1 0 292.360 2.654 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC1(C)C ZINC000414226010 533684632 /nfs/dbraw/zinc/68/46/32/533684632.db2.gz UWBVLZHWZJIOAK-MFKMUULPSA-N 1 0 291.351 2.700 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000224415749 270256034 /nfs/dbraw/zinc/25/60/34/270256034.db2.gz BEICYZFPTKDMJZ-ZKYQVNSYSA-N 1 0 264.325 2.813 20 5 CFBDRO CCOc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000094195454 265223626 /nfs/dbraw/zinc/22/36/26/265223626.db2.gz PAWSHNMACBBQQI-DGCLKSJQSA-N 1 0 293.367 2.888 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000514644530 266025420 /nfs/dbraw/zinc/02/54/20/266025420.db2.gz OGOQOMSAJFVIEY-QWHCGFSZSA-N 1 0 276.336 2.978 20 5 CFBDRO CCC(CC)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192698533 270233511 /nfs/dbraw/zinc/23/35/11/270233511.db2.gz ZVYDUSWKGABDIR-SNVBAGLBSA-N 1 0 279.340 2.700 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223248016 270255775 /nfs/dbraw/zinc/25/57/75/270255775.db2.gz IUSAZAULDHPZAW-RYUDHWBXSA-N 1 0 263.341 2.798 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000250105884 270272205 /nfs/dbraw/zinc/27/22/05/270272205.db2.gz SACGKGWKCROSMR-BYCMXARLSA-N 1 0 292.379 2.665 20 5 CFBDRO CS[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296212358 270284781 /nfs/dbraw/zinc/28/47/81/270284781.db2.gz JSGBAPGWIOEZSP-ZDUSSCGKSA-N 1 0 266.366 2.575 20 5 CFBDRO CO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000308364992 270288835 /nfs/dbraw/zinc/28/88/35/270288835.db2.gz KGQLBNPEWPPHFK-GJZGRUSLSA-N 1 0 290.363 2.685 20 5 CFBDRO CCC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000322796437 270296842 /nfs/dbraw/zinc/29/68/42/270296842.db2.gz OXSNPYCMILJKQX-RISCZKNCSA-N 1 0 293.367 2.550 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000393354478 270307710 /nfs/dbraw/zinc/30/77/10/270307710.db2.gz MRBNVTHBDICZLU-HNNXBMFYSA-N 1 0 298.342 2.731 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCOCC2)c(Cl)c1 ZINC000397780863 270319344 /nfs/dbraw/zinc/31/93/44/270319344.db2.gz VSIKSJISWGOGGT-UHFFFAOYSA-N 1 0 282.727 2.685 20 5 CFBDRO C[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000514799746 270354761 /nfs/dbraw/zinc/35/47/61/270354761.db2.gz XWYKNXIJNYNELN-HIFRSBDPSA-N 1 0 276.336 2.741 20 5 CFBDRO CC(C)([NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423288423 273506281 /nfs/dbraw/zinc/50/62/81/273506281.db2.gz SAPMTYHLGWKSIF-ZDUSSCGKSA-N 1 0 277.368 2.644 20 5 CFBDRO CC(C)[C@H]([NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280448 273555024 /nfs/dbraw/zinc/55/50/24/273555024.db2.gz UEUYYXOTHRSPFA-HUUCEWRRSA-N 1 0 291.395 2.890 20 5 CFBDRO CCOCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433165307 273701256 /nfs/dbraw/zinc/70/12/56/273701256.db2.gz BPXCYWHIIXPMSF-AWEZNQCLSA-N 1 0 278.352 2.943 20 5 CFBDRO CC[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417339208 273755200 /nfs/dbraw/zinc/75/52/00/273755200.db2.gz FHNZZCNVQOXOGA-ZFWWWQNUSA-N 1 0 278.352 2.723 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000276937630 273807016 /nfs/dbraw/zinc/80/70/16/273807016.db2.gz AKRHRAGCZYRLSF-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301077055 274704979 /nfs/dbraw/zinc/70/49/79/274704979.db2.gz GHANWLTUDAYQCU-OAHLLOKOSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cc(N2CC[NH+](CC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359838224 274706701 /nfs/dbraw/zinc/70/67/01/274706701.db2.gz JCMWSCKXZUDOBU-UHFFFAOYSA-N 1 0 295.358 2.820 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000493338001 275039347 /nfs/dbraw/zinc/03/93/47/275039347.db2.gz QGQZCGYQLAKBHO-CQSZACIVSA-N 1 0 296.754 2.861 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000192460423 275040806 /nfs/dbraw/zinc/04/08/06/275040806.db2.gz GKBLMKJWIPKCRL-UHFFFAOYSA-N 1 0 296.396 2.506 20 5 CFBDRO CC1(C)C[C@H]([NH2+]CC2(O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433128508 275867409 /nfs/dbraw/zinc/86/74/09/275867409.db2.gz WXMWLFURACFHQR-AWEZNQCLSA-N 1 0 290.363 2.822 20 5 CFBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357047 276033200 /nfs/dbraw/zinc/03/32/00/276033200.db2.gz WMMCIWVWHJKZHJ-DZGCQCFKSA-N 1 0 278.352 2.888 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414965897 276053874 /nfs/dbraw/zinc/05/38/74/276053874.db2.gz WCWIJKXBXBZFGR-DOMZBBRYSA-N 1 0 291.395 2.806 20 5 CFBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285666551 276054200 /nfs/dbraw/zinc/05/42/00/276054200.db2.gz TYFDPMLGSXDFQE-AWEZNQCLSA-N 1 0 264.325 2.644 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000062983319 276114974 /nfs/dbraw/zinc/11/49/74/276114974.db2.gz GTARFFABFCLCQK-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO CC[NH2+][C@H](C)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414957811 276270567 /nfs/dbraw/zinc/27/05/67/276270567.db2.gz OTKIDEMKHSLXFM-GFCCVEGCSA-N 1 0 279.384 2.806 20 5 CFBDRO CCOc1cccc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302108753 276380752 /nfs/dbraw/zinc/38/07/52/276380752.db2.gz OQGFCSKDWSJBFC-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453061370 276558865 /nfs/dbraw/zinc/55/88/65/276558865.db2.gz SQTLZQDNLHMVKK-QJPTWQEYSA-N 1 0 266.345 2.663 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000277248872 276831983 /nfs/dbraw/zinc/83/19/83/276831983.db2.gz VMGUQCVKGDRYPF-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270235429 277034705 /nfs/dbraw/zinc/03/47/05/277034705.db2.gz VRUOFLANTOOQRO-AWEZNQCLSA-N 1 0 289.379 2.763 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133732191 277084442 /nfs/dbraw/zinc/08/44/42/277084442.db2.gz YUQLQHOSTIJYMU-AAEUAGOBSA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CCC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000129165453 277084840 /nfs/dbraw/zinc/08/48/40/277084840.db2.gz FONZXADCSPTZQT-AAEUAGOBSA-N 1 0 293.342 2.654 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366406961 277181645 /nfs/dbraw/zinc/18/16/45/277181645.db2.gz BDXVZEZLTJRELN-HOCLYGCPSA-N 1 0 289.379 2.511 20 5 CFBDRO COCCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266757727 277205583 /nfs/dbraw/zinc/20/55/83/277205583.db2.gz SEPGCIFJOUTDMJ-NSHDSACASA-N 1 0 252.314 2.624 20 5 CFBDRO CO[C@@](C)(C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449338334 277317063 /nfs/dbraw/zinc/31/70/63/277317063.db2.gz VJKXXGAXDUJSKA-LRDDRELGSA-N 1 0 292.379 2.931 20 5 CFBDRO CSCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538559 278129388 /nfs/dbraw/zinc/12/93/88/278129388.db2.gz CAHUAROPIVGARG-NEPJUHHUSA-N 1 0 298.412 2.618 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000278822614 278286547 /nfs/dbraw/zinc/28/65/47/278286547.db2.gz SOQAFBYIDRLUKZ-NHYWBVRUSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037154673 278300739 /nfs/dbraw/zinc/30/07/39/278300739.db2.gz WYZOALKDISKABT-RYUDHWBXSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000358173077 278343923 /nfs/dbraw/zinc/34/39/23/278343923.db2.gz IYNNGJGKWQYTMP-UKRRQHHQSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329590 278356097 /nfs/dbraw/zinc/35/60/97/278356097.db2.gz MXBJVZHUIIZKJQ-IUODEOHRSA-N 1 0 277.368 2.635 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000449269058 279382518 /nfs/dbraw/zinc/38/25/18/279382518.db2.gz LMNCKRLCWPTZPO-MEWXFMAXSA-N 1 0 290.363 2.683 20 5 CFBDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000094796977 279480580 /nfs/dbraw/zinc/48/05/80/279480580.db2.gz DPKFXPYVPZVIDG-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000300415763 279516196 /nfs/dbraw/zinc/51/61/96/279516196.db2.gz YWIFKUIKSSBFME-NTZNESFSSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051995483 280197163 /nfs/dbraw/zinc/19/71/63/280197163.db2.gz FOUQEIRDXNIRDK-ILXRZTDVSA-N 1 0 278.352 2.939 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123703600 280233905 /nfs/dbraw/zinc/23/39/05/280233905.db2.gz NCNHWURARUJEDQ-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000336845362 280270922 /nfs/dbraw/zinc/27/09/22/280270922.db2.gz AIUWLNYKJJTXLX-AWEZNQCLSA-N 1 0 288.351 2.606 20 5 CFBDRO CC[NH+](CC)CCCCNc1ncccc1[N+](=O)[O-] ZINC000065944879 280467141 /nfs/dbraw/zinc/46/71/41/280467141.db2.gz FYPGOSRLVNFPTH-UHFFFAOYSA-N 1 0 266.345 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)c2cccnc21 ZINC000122527077 280627964 /nfs/dbraw/zinc/62/79/64/280627964.db2.gz NPDOCGXAMBLKCZ-LLVKDONJSA-N 1 0 287.319 2.521 20 5 CFBDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000128219092 280674536 /nfs/dbraw/zinc/67/45/36/280674536.db2.gz PGGJKQBUUWTWBR-YPMHNXCESA-N 1 0 266.341 2.715 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130196453 280700590 /nfs/dbraw/zinc/70/05/90/280700590.db2.gz LSEDDCAWAFZXTK-UMVBOHGHSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292915355 281013534 /nfs/dbraw/zinc/01/35/34/281013534.db2.gz XWPLPXFUDRZPOD-INIZCTEOSA-N 1 0 289.379 2.825 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000248333902 281019228 /nfs/dbraw/zinc/01/92/28/281019228.db2.gz FXNPNDRCBFOKOO-MNOVXSKESA-N 1 0 292.335 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1O)CCC2 ZINC000249048917 281046056 /nfs/dbraw/zinc/04/60/56/281046056.db2.gz WYSGDJVWMGHNPD-OWCLPIDISA-N 1 0 290.363 2.865 20 5 CFBDRO CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249148770 281050545 /nfs/dbraw/zinc/05/05/45/281050545.db2.gz ZUNGKXGGRCORDD-VNHYZAJKSA-N 1 0 292.379 2.931 20 5 CFBDRO COCC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255719712 281105908 /nfs/dbraw/zinc/10/59/08/281105908.db2.gz LFBHSQRGURJODA-VURMDHGXSA-N 1 0 264.325 2.623 20 5 CFBDRO Cc1cc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000396982109 281200017 /nfs/dbraw/zinc/20/00/17/281200017.db2.gz OLJQPDWDEAYGCL-UHFFFAOYSA-N 1 0 271.320 2.896 20 5 CFBDRO Cc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000397824715 281202847 /nfs/dbraw/zinc/20/28/47/281202847.db2.gz GBOHAYVQBPCKCJ-CMPLNLGQSA-N 1 0 266.366 2.887 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424374713 281227443 /nfs/dbraw/zinc/22/74/43/281227443.db2.gz LOEAKLHIAKLGCB-MRVWCRGKSA-N 1 0 277.368 2.824 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCC[NH+](C)C ZINC000516348343 281302886 /nfs/dbraw/zinc/30/28/86/281302886.db2.gz SXKPOVLDFGKSGR-KAMYIIQDSA-N 1 0 291.395 2.882 20 5 CFBDRO CSCC[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537962492 281547049 /nfs/dbraw/zinc/54/70/49/281547049.db2.gz BFEYGEDQELCJAH-VXGBXAGGSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000538337787 281551623 /nfs/dbraw/zinc/55/16/23/281551623.db2.gz WMUIFIMIZBQNEQ-UHFFFAOYSA-N 1 0 266.322 2.890 20 5 CFBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000552040447 281851767 /nfs/dbraw/zinc/85/17/67/281851767.db2.gz LMEYZPLCGAQKIS-CABCVRRESA-N 1 0 278.352 2.998 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000558254437 281979218 /nfs/dbraw/zinc/97/92/18/281979218.db2.gz CHJZDLAXJGODEA-QWHCGFSZSA-N 1 0 280.368 2.818 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000558259458 281979308 /nfs/dbraw/zinc/97/93/08/281979308.db2.gz VOGREVKRWGIWFP-UKRRQHHQSA-N 1 0 294.395 2.770 20 5 CFBDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000558508221 281983895 /nfs/dbraw/zinc/98/38/95/281983895.db2.gz RZZDFZYVJJONAM-OLZOCXBDSA-N 1 0 296.367 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CCO ZINC000151919675 289834364 /nfs/dbraw/zinc/83/43/64/289834364.db2.gz RICKDVIGKSRVHX-JQWIXIFHSA-N 1 0 266.341 2.572 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O ZINC000157667185 289960580 /nfs/dbraw/zinc/96/05/80/289960580.db2.gz LPOTVTSFNAFNKA-RTXFEEFZSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000285049893 290029940 /nfs/dbraw/zinc/02/99/40/290029940.db2.gz IVCMMSCHQTWBEJ-JFGNBEQYSA-N 1 0 266.366 2.997 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000562467946 290045770 /nfs/dbraw/zinc/04/57/70/290045770.db2.gz KSBYDCYDUDAAKS-UKRRQHHQSA-N 1 0 278.352 2.985 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](C)O ZINC000562789444 290075992 /nfs/dbraw/zinc/07/59/92/290075992.db2.gz ASIOXLJHGNJZRK-SUNKGSAMSA-N 1 0 266.341 2.713 20 5 CFBDRO C[N@@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563416687 290146372 /nfs/dbraw/zinc/14/63/72/290146372.db2.gz INIXRJAGOCMBHY-DOMZBBRYSA-N 1 0 289.379 2.514 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563417761 290147117 /nfs/dbraw/zinc/14/71/17/290147117.db2.gz LLKIBNPXJYLSIE-HIFRSBDPSA-N 1 0 278.352 2.723 20 5 CFBDRO COC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000563418785 290147160 /nfs/dbraw/zinc/14/71/60/290147160.db2.gz PRWUOZOQDXAEJF-ZIAGYGMSSA-N 1 0 278.352 2.843 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000565726652 290320492 /nfs/dbraw/zinc/32/04/92/290320492.db2.gz VYGXOQLOMMQJRM-XUJVJEKNSA-N 1 0 290.363 2.723 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)COC ZINC000566020684 290342245 /nfs/dbraw/zinc/34/22/45/290342245.db2.gz AELVNLXLOPRQQB-GFCCVEGCSA-N 1 0 282.340 2.508 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOCC1CC1 ZINC000566473907 290390794 /nfs/dbraw/zinc/39/07/94/290390794.db2.gz DZICEHJKXZQVCQ-OAHLLOKOSA-N 1 0 290.363 2.988 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCCCC1 ZINC000566478200 290391825 /nfs/dbraw/zinc/39/18/25/290391825.db2.gz IPBQSLHJPQRBJA-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H]1C ZINC000566753663 290415401 /nfs/dbraw/zinc/41/54/01/290415401.db2.gz UCDAHPBGVCMTLS-MISXGVKJSA-N 1 0 291.351 2.700 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271754375 294338142 /nfs/dbraw/zinc/33/81/42/294338142.db2.gz GPFBZVGPOKANLH-HBNTYKKESA-N 1 0 252.314 2.669 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000291833749 295255123 /nfs/dbraw/zinc/25/51/23/295255123.db2.gz OGOVNXGTOUWFHD-AWEZNQCLSA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000267628096 300220344 /nfs/dbraw/zinc/22/03/44/300220344.db2.gz LTINNWYMWJPVBG-CMPLNLGQSA-N 1 0 281.331 2.510 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000408172232 301202708 /nfs/dbraw/zinc/20/27/08/301202708.db2.gz UEWBEUYDNAOXNJ-STQMWFEESA-N 1 0 292.383 2.526 20 5 CFBDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000423369077 301787760 /nfs/dbraw/zinc/78/77/60/301787760.db2.gz SFNWGZURVUSMNG-SCDSUCTJSA-N 1 0 277.368 2.552 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000341725517 304806014 /nfs/dbraw/zinc/80/60/14/304806014.db2.gz FBOWBDMAUDCEMD-GFCCVEGCSA-N 1 0 293.342 2.799 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000414065635 533697623 /nfs/dbraw/zinc/69/76/23/533697623.db2.gz GGDATEINTNSPIG-CKYFFXLPSA-N 1 0 264.325 2.738 20 5 CFBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160269220 322335762 /nfs/dbraw/zinc/33/57/62/322335762.db2.gz CTSBVJMXXWWRMW-NEPJUHHUSA-N 1 0 298.408 2.668 20 5 CFBDRO C[NH+](C)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163311290 322375293 /nfs/dbraw/zinc/37/52/93/322375293.db2.gz LKRBXHZXXOBEMS-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000573137096 322645974 /nfs/dbraw/zinc/64/59/74/322645974.db2.gz DTOVJCUWKKOQGO-RISCZKNCSA-N 1 0 276.336 2.598 20 5 CFBDRO CC(C)C[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575064290 322716809 /nfs/dbraw/zinc/71/68/09/322716809.db2.gz LPCPXSXDWNQPDI-CYBMUJFWSA-N 1 0 292.383 2.546 20 5 CFBDRO C[NH2+]CCSCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000382665968 324432371 /nfs/dbraw/zinc/43/23/71/324432371.db2.gz YMPDRRXPUULBBQ-UHFFFAOYSA-N 1 0 260.746 2.701 20 5 CFBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000394058779 324533106 /nfs/dbraw/zinc/53/31/06/324533106.db2.gz DTEHPWHHXZGANG-WCQYABFASA-N 1 0 266.341 2.510 20 5 CFBDRO O=[N+]([O-])c1cccc(CSCC2CC[NH2+]CC2)c1 ZINC000576986909 324682841 /nfs/dbraw/zinc/68/28/41/324682841.db2.gz XEGXUSJXYVLUGQ-UHFFFAOYSA-N 1 0 266.366 2.828 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccccn1 ZINC000580843139 325069133 /nfs/dbraw/zinc/06/91/33/325069133.db2.gz AKKBHTIBZNUMAK-OAHLLOKOSA-N 1 0 283.331 2.809 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC1(C)C ZINC000581674929 325142414 /nfs/dbraw/zinc/14/24/14/325142414.db2.gz CUQVELPIGWQJGM-CYBMUJFWSA-N 1 0 264.325 2.882 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581834486 325152489 /nfs/dbraw/zinc/15/24/89/325152489.db2.gz QJSIYCCKNGBYBI-DOMZBBRYSA-N 1 0 289.379 2.656 20 5 CFBDRO CC(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000582533329 325212391 /nfs/dbraw/zinc/21/23/91/325212391.db2.gz KKEXAUNPFSTNEK-UHFFFAOYSA-N 1 0 296.346 2.661 20 5 CFBDRO Cc1cc(NCC(C)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000582619686 325220810 /nfs/dbraw/zinc/22/08/10/325220810.db2.gz UTRGWKSTEXKAGM-UHFFFAOYSA-N 1 0 281.262 2.940 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000052926314 500914043 /nfs/dbraw/zinc/91/40/43/500914043.db2.gz PFEVRZULSYCBDT-MRXNPFEDSA-N 1 0 286.331 2.592 20 5 CFBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480395 521514170 /nfs/dbraw/zinc/51/41/70/521514170.db2.gz JHUQTDTYSNRLPH-LLVKDONJSA-N 1 0 279.340 2.572 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000220301261 522058644 /nfs/dbraw/zinc/05/86/44/522058644.db2.gz GTUPGTPTZBKKLE-LLVKDONJSA-N 1 0 281.356 2.746 20 5 CFBDRO C[C@H](NCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423174706 533854997 /nfs/dbraw/zinc/85/49/97/533854997.db2.gz CMXUBMASDVRZJF-JTQLQIEISA-N 1 0 291.376 2.933 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)O1 ZINC000414517730 533872128 /nfs/dbraw/zinc/87/21/28/533872128.db2.gz RFRQGWOUPFYFJO-JFGNBEQYSA-N 1 0 282.315 2.637 20 5 CFBDRO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423329595 533890801 /nfs/dbraw/zinc/89/08/01/533890801.db2.gz MXBJVZHUIIZKJQ-WFASDCNBSA-N 1 0 277.368 2.635 20 5 CFBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414861751 533925338 /nfs/dbraw/zinc/92/53/38/533925338.db2.gz WTMNNRJYXAVNNT-QWRGUYRKSA-N 1 0 297.786 2.726 20 5 CFBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000413230024 533945750 /nfs/dbraw/zinc/94/57/50/533945750.db2.gz KLFVXPGQHOLIHB-LLVKDONJSA-N 1 0 296.346 2.805 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000339038205 518708659 /nfs/dbraw/zinc/70/86/59/518708659.db2.gz WNRNIEHQPHIERK-UHFFFAOYSA-N 1 0 278.356 2.665 20 5 CFBDRO CC(C)CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000052246408 519650624 /nfs/dbraw/zinc/65/06/24/519650624.db2.gz ZLMZAIFUJFLWNY-UHFFFAOYSA-N 1 0 266.341 2.952 20 5 CFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000054127951 520239237 /nfs/dbraw/zinc/23/92/37/520239237.db2.gz ZELXVBZXXAWWMZ-UHFFFAOYSA-N 1 0 274.324 2.507 20 5 CFBDRO CC[NH+](CC)CCCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000233462642 520623694 /nfs/dbraw/zinc/62/36/94/520623694.db2.gz VNILBUJEUGVFLP-UHFFFAOYSA-N 1 0 299.346 2.886 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000357778548 521613436 /nfs/dbraw/zinc/61/34/36/521613436.db2.gz DIYLXGSOICJSKU-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO CCCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000233424719 521652976 /nfs/dbraw/zinc/65/29/76/521652976.db2.gz LMEBOMJQMYOPRL-UHFFFAOYSA-N 1 0 288.351 2.800 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000220302297 522059133 /nfs/dbraw/zinc/05/91/33/522059133.db2.gz YKCZCJPKPQOMBC-SNVBAGLBSA-N 1 0 299.346 2.885 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245453109 522061091 /nfs/dbraw/zinc/06/10/91/522061091.db2.gz FEQSZRBXIFOTRQ-CHWSQXEVSA-N 1 0 279.384 2.976 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353133091 522490682 /nfs/dbraw/zinc/49/06/82/522490682.db2.gz DNHBNGFMELDPPS-KOLCDFICSA-N 1 0 280.324 2.500 20 5 CFBDRO COC[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000061012062 522625647 /nfs/dbraw/zinc/62/56/47/522625647.db2.gz KLODDGQOXQBELP-NSHDSACASA-N 1 0 266.341 2.843 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361296 523545558 /nfs/dbraw/zinc/54/55/58/523545558.db2.gz IKKIKCLZRLODPT-GXTWGEPZSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000070360832 523577639 /nfs/dbraw/zinc/57/76/39/523577639.db2.gz KWTCPZCACICVCQ-CHWSQXEVSA-N 1 0 264.325 2.642 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245453110 523920792 /nfs/dbraw/zinc/92/07/92/523920792.db2.gz FEQSZRBXIFOTRQ-QWHCGFSZSA-N 1 0 279.384 2.976 20 5 CFBDRO C[C@@H](CO)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361483457 524789441 /nfs/dbraw/zinc/78/94/41/524789441.db2.gz DOBAGOOOQUNIFV-NSHDSACASA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000158238257 524807621 /nfs/dbraw/zinc/80/76/21/524807621.db2.gz KBDCWSIVRVCAAZ-JQWIXIFHSA-N 1 0 297.786 2.821 20 5 CFBDRO Cc1cc(N(C)CCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000360070355 525026626 /nfs/dbraw/zinc/02/66/26/525026626.db2.gz HIQMTTXWAOFNOB-UHFFFAOYSA-N 1 0 295.358 2.964 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000087015694 525319768 /nfs/dbraw/zinc/31/97/68/525319768.db2.gz HXHLPPUNBLLJSA-NSHDSACASA-N 1 0 264.325 2.551 20 5 CFBDRO Cc1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000159609039 525320930 /nfs/dbraw/zinc/32/09/30/525320930.db2.gz OAHFZFAQZKEBOT-RYUDHWBXSA-N 1 0 275.352 2.940 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000230061315 525458272 /nfs/dbraw/zinc/45/82/72/525458272.db2.gz JPNZYWRPXZSDFH-NEPJUHHUSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000222909922 525458483 /nfs/dbraw/zinc/45/84/83/525458483.db2.gz SDNYWQIIMVYIMQ-JTQLQIEISA-N 1 0 275.283 2.980 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339384295 525558408 /nfs/dbraw/zinc/55/84/08/525558408.db2.gz DGRLRGRKBHSKAR-LBPRGKRZSA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)cccc1[N+](=O)[O-] ZINC000367445784 525709373 /nfs/dbraw/zinc/70/93/73/525709373.db2.gz APEHWKHAMWOYIU-INIZCTEOSA-N 1 0 290.363 2.906 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246514754 525710020 /nfs/dbraw/zinc/71/00/20/525710020.db2.gz FLULUTIBLLVLRF-HOCLYGCPSA-N 1 0 290.363 2.904 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000305128810 525726421 /nfs/dbraw/zinc/72/64/21/525726421.db2.gz JGQOLIXWGAOTAC-IUODEOHRSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339392171 525821137 /nfs/dbraw/zinc/82/11/37/525821137.db2.gz LZRAJYRDKWLYQM-NSHDSACASA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000305195442 525917464 /nfs/dbraw/zinc/91/74/64/525917464.db2.gz ZEKPBBPKYROVJK-WFASDCNBSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339387276 526054781 /nfs/dbraw/zinc/05/47/81/526054781.db2.gz JTCQVKZYTSVVSV-NSHDSACASA-N 1 0 290.323 2.999 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000360871630 526060319 /nfs/dbraw/zinc/06/03/19/526060319.db2.gz KQUKHEJJJRKDFF-BETUJISGSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)c1 ZINC000084726444 526061963 /nfs/dbraw/zinc/06/19/63/526061963.db2.gz QSSTVDPPZUZDAQ-LLVKDONJSA-N 1 0 251.330 2.655 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208385 526250889 /nfs/dbraw/zinc/25/08/89/526250889.db2.gz QTEYUUVZUIOKRD-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO Cc1nc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000161530473 526997733 /nfs/dbraw/zinc/99/77/33/526997733.db2.gz YLJKDRYRZYOVNE-YHWZYXNKSA-N 1 0 290.367 2.583 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CC23CCCCC3)cs1 ZINC000088395675 527329338 /nfs/dbraw/zinc/32/93/38/527329338.db2.gz DXCHNJYDMWWYCJ-UHFFFAOYSA-N 1 0 295.408 2.764 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160747046 527349121 /nfs/dbraw/zinc/34/91/21/527349121.db2.gz YLSGSGQUKNXFTN-GDBMZVCRSA-N 1 0 290.363 2.722 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156183581 527358386 /nfs/dbraw/zinc/35/83/86/527358386.db2.gz CBBPOVQINLTOIP-VXGBXAGGSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1cccc(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000339552094 527385997 /nfs/dbraw/zinc/38/59/97/527385997.db2.gz CATXRKUCELLVBK-UHFFFAOYSA-N 1 0 269.304 2.513 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188299 527386857 /nfs/dbraw/zinc/38/68/57/527386857.db2.gz GHNMNVZUWLNFEJ-JKSUJKDBSA-N 1 0 289.379 2.701 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC3CCC2CC3)c1 ZINC000361995870 527394882 /nfs/dbraw/zinc/39/48/82/527394882.db2.gz JCOMHKVQMNXZJQ-HGMXIMQMSA-N 1 0 276.336 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190331300 527397547 /nfs/dbraw/zinc/39/75/47/527397547.db2.gz DBBKESAONOLNEM-VBCGWKPASA-N 1 0 288.347 2.765 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccco1 ZINC000338717214 527397648 /nfs/dbraw/zinc/39/76/48/527397648.db2.gz ULXWNXMHELXOMX-UTCJRWHESA-N 1 0 258.277 2.991 20 5 CFBDRO Cc1ncsc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000071212830 527510580 /nfs/dbraw/zinc/51/05/80/527510580.db2.gz UZJGLECSOZFKKR-UHFFFAOYSA-N 1 0 277.349 2.958 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413308871 528001065 /nfs/dbraw/zinc/00/10/65/528001065.db2.gz KQWSIKVSGQHDLZ-JTQLQIEISA-N 1 0 284.335 2.661 20 5 CFBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413096156 528100293 /nfs/dbraw/zinc/10/02/93/528100293.db2.gz NWAGYTKEQJBNAP-UHFFFAOYSA-N 1 0 284.335 2.663 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])cc1F ZINC000413258249 528104245 /nfs/dbraw/zinc/10/42/45/528104245.db2.gz OXJAVEAGQKEZRP-UHFFFAOYSA-N 1 0 298.362 2.687 20 5 CFBDRO COC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000449772151 536529005 /nfs/dbraw/zinc/52/90/05/536529005.db2.gz GSQVTXZSGMELGG-NSHDSACASA-N 1 0 284.381 2.905 20 5 CFBDRO CCC([NH3+])(CC)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414796037 528948594 /nfs/dbraw/zinc/94/85/94/528948594.db2.gz BNXTVBVOSWNBFP-VQHVLOKHSA-N 1 0 277.368 2.715 20 5 CFBDRO CCC[C@@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423182193 529021353 /nfs/dbraw/zinc/02/13/53/529021353.db2.gz GNGMMBPSPWIHJD-DZGCQCFKSA-N 1 0 277.368 2.778 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341822066 534958913 /nfs/dbraw/zinc/95/89/13/534958913.db2.gz KSONAIBIFPDXSH-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000221679007 535003775 /nfs/dbraw/zinc/00/37/75/535003775.db2.gz MPYCUNPNMMWLHM-UHFFFAOYSA-N 1 0 251.330 2.737 20 5 CFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000452013437 535754841 /nfs/dbraw/zinc/75/48/41/535754841.db2.gz JIGLWLOXCQKLDR-ZIAGYGMSSA-N 1 0 294.351 2.651 20 5 CFBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268988734 535812175 /nfs/dbraw/zinc/81/21/75/535812175.db2.gz FOKHFUSFBTZVGS-VXGBXAGGSA-N 1 0 266.341 2.715 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459746823 535943082 /nfs/dbraw/zinc/94/30/82/535943082.db2.gz VJQDSRMYVBCJOP-DOMBMUJNSA-N 1 0 276.336 2.765 20 5 CFBDRO CO[C@]1(C)C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000446961636 536840031 /nfs/dbraw/zinc/84/00/31/536840031.db2.gz BBBZXUBQPIBCGW-GOEBONIOSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001155021058 782169889 /nfs/dbraw/zinc/16/98/89/782169889.db2.gz UAMCFIWCNNHHGD-VHSXEESVSA-N 1 0 298.774 2.691 20 5 CFBDRO Cc1nn(C[N@H+]2CCCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000738227458 574055824 /nfs/dbraw/zinc/05/58/24/574055824.db2.gz VBSDJJFPLQUDHA-SNVBAGLBSA-N 1 0 266.345 2.630 20 5 CFBDRO C[C@@H]1CC[N@H+](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744450600 574075076 /nfs/dbraw/zinc/07/50/76/574075076.db2.gz XKGVIRPCTNIJHL-LLVKDONJSA-N 1 0 297.786 2.680 20 5 CFBDRO CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000754372892 574091377 /nfs/dbraw/zinc/09/13/77/574091377.db2.gz MPRMRPHMRNAQJR-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]3C3CC3)c2c1 ZINC000728563383 574100961 /nfs/dbraw/zinc/10/09/61/574100961.db2.gz SPWSANZKTPDMJM-CQSZACIVSA-N 1 0 286.335 2.776 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)c1ccco1 ZINC000747098905 574179632 /nfs/dbraw/zinc/17/96/32/574179632.db2.gz GBVMZTRPYUKPRQ-XSHSDMCLSA-N 1 0 288.303 2.524 20 5 CFBDRO COCC(C)(C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000756081269 574208341 /nfs/dbraw/zinc/20/83/41/574208341.db2.gz UPQPNMBGJXQIGW-UHFFFAOYSA-N 1 0 278.352 2.626 20 5 CFBDRO CCC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000748046166 574226580 /nfs/dbraw/zinc/22/65/80/574226580.db2.gz FUOGLWTYCCYNHV-CYBMUJFWSA-N 1 0 277.368 2.905 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCc3ccccc32)c1 ZINC000748820366 574269474 /nfs/dbraw/zinc/26/94/74/574269474.db2.gz XCFMUBGTJCROEZ-UHFFFAOYSA-N 1 0 297.358 2.747 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000741256518 574284639 /nfs/dbraw/zinc/28/46/39/574284639.db2.gz OLQFKOXSSUECAY-BPLDGKMQSA-N 1 0 290.363 2.806 20 5 CFBDRO C[NH+](C)C[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000749393662 574293098 /nfs/dbraw/zinc/29/30/98/574293098.db2.gz ZDCCMRUNWLHHFK-LLVKDONJSA-N 1 0 281.331 2.512 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749643492 574304020 /nfs/dbraw/zinc/30/40/20/574304020.db2.gz BUQLBORMGCIYJP-MRXNPFEDSA-N 1 0 286.331 2.726 20 5 CFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749668833 574304416 /nfs/dbraw/zinc/30/44/16/574304416.db2.gz ALKDVKLIQCXALP-OSAQELSMSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000749693960 574305176 /nfs/dbraw/zinc/30/51/76/574305176.db2.gz WNANCZZNSBOTSD-GVDBMIGSSA-N 1 0 298.342 2.774 20 5 CFBDRO Cc1ccsc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749694726 574305440 /nfs/dbraw/zinc/30/54/40/574305440.db2.gz YPUIGJHBOLYYJP-ZDUSSCGKSA-N 1 0 292.360 2.788 20 5 CFBDRO Cc1ccccc1[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780514 574306872 /nfs/dbraw/zinc/30/68/72/574306872.db2.gz VIDPAUDLAMCVCS-ZDUSSCGKSA-N 1 0 286.335 2.547 20 5 CFBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000725780507 574307008 /nfs/dbraw/zinc/30/70/08/574307008.db2.gz VIDPAUDLAMCVCS-CYBMUJFWSA-N 1 0 286.335 2.547 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000749841173 574312116 /nfs/dbraw/zinc/31/21/16/574312116.db2.gz UWZBRILALBVBDK-GZMMTYOYSA-N 1 0 292.257 2.823 20 5 CFBDRO CCC[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000750604655 574349040 /nfs/dbraw/zinc/34/90/40/574349040.db2.gz WUJOZWWYEFMYNA-UHFFFAOYSA-N 1 0 262.313 2.634 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000891662816 617699340 /nfs/dbraw/zinc/69/93/40/617699340.db2.gz RIPCWDXLZOVJFV-UHFFFAOYSA-N 1 0 280.324 2.682 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804811959 617895936 /nfs/dbraw/zinc/89/59/36/617895936.db2.gz CDOFZAXRYUJOLI-DZGCQCFKSA-N 1 0 289.379 2.966 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000892209633 618000327 /nfs/dbraw/zinc/00/03/27/618000327.db2.gz CJNLFJQEGYJTPE-VHSXEESVSA-N 1 0 280.324 2.539 20 5 CFBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000307763683 618094701 /nfs/dbraw/zinc/09/47/01/618094701.db2.gz JNGGIQZHELZWFO-GFCCVEGCSA-N 1 0 282.315 2.735 20 5 CFBDRO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000050370736 618116810 /nfs/dbraw/zinc/11/68/10/618116810.db2.gz KHAALJMZCKDURM-BPNCWPANSA-N 1 0 264.325 2.813 20 5 CFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261912194 618191550 /nfs/dbraw/zinc/19/15/50/618191550.db2.gz YOXPRHKHZRXWKL-AWEZNQCLSA-N 1 0 297.786 2.680 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cc([C@@H]2CCC[NH2+]C2)on1 ZINC000901393688 620803565 /nfs/dbraw/zinc/80/35/65/620803565.db2.gz BCYURHHOTABYBC-SNVBAGLBSA-N 1 0 273.292 2.717 20 5 CFBDRO CC1=NO[C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000895304336 618524642 /nfs/dbraw/zinc/52/46/42/618524642.db2.gz NIUFXNJDJHHAEP-FZMZJTMJSA-N 1 0 291.351 2.670 20 5 CFBDRO Cc1ccc(N2CC[C@@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895324229 618533409 /nfs/dbraw/zinc/53/34/09/618533409.db2.gz FRMRVQSYVKYTQZ-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CC[NH+](C)C)C2)c1 ZINC000895330093 618537374 /nfs/dbraw/zinc/53/73/74/618537374.db2.gz NZEKWZNMFKTGIW-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO COc1c(O)ccc(C[NH2+]CCCC2CCC2)c1[N+](=O)[O-] ZINC000895380780 618559552 /nfs/dbraw/zinc/55/95/52/618559552.db2.gz NKQYPSIUDDEYCP-UHFFFAOYSA-N 1 0 294.351 2.979 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CSC1 ZINC000895421331 618582002 /nfs/dbraw/zinc/58/20/02/618582002.db2.gz ACSPGPAJNFEEQW-NSHDSACASA-N 1 0 280.393 2.869 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000893126311 618840290 /nfs/dbraw/zinc/84/02/90/618840290.db2.gz NJAMLEXJJMBNCK-MJHDQNEOSA-N 1 0 298.770 2.889 20 5 CFBDRO C[C@@H]([NH3+])[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000925516135 618855070 /nfs/dbraw/zinc/85/50/70/618855070.db2.gz VOZQLPZZYGCFQW-DYVFJYSZSA-N 1 0 299.374 2.815 20 5 CFBDRO C[N@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000162890542 619069137 /nfs/dbraw/zinc/06/91/37/619069137.db2.gz LVKOMENRHBQBRF-UHFFFAOYSA-N 1 0 274.324 2.634 20 5 CFBDRO CC[N@H+](CCC1CC1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893589045 619080876 /nfs/dbraw/zinc/08/08/76/619080876.db2.gz CKYNGERBCVVELT-UHFFFAOYSA-N 1 0 294.351 2.931 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000894658276 619436330 /nfs/dbraw/zinc/43/63/30/619436330.db2.gz TYOPRQQUJCPIBO-NSHDSACASA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1cc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c([N+](=O)[O-])s1 ZINC000894803452 619469760 /nfs/dbraw/zinc/46/97/60/619469760.db2.gz YWSBIBSPIZDNBE-ZIAGYGMSSA-N 1 0 295.408 2.743 20 5 CFBDRO COC(=O)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000894793421 619470654 /nfs/dbraw/zinc/47/06/54/619470654.db2.gz GFNDOEQBPDHXFA-CYBMUJFWSA-N 1 0 294.351 2.520 20 5 CFBDRO COc1c(O)ccc(C[NH+]2CC(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000894843811 619480560 /nfs/dbraw/zinc/48/05/60/619480560.db2.gz RFAKURBHAHMXKK-UHFFFAOYSA-N 1 0 294.351 2.787 20 5 CFBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000894847306 619481780 /nfs/dbraw/zinc/48/17/80/619481780.db2.gz BWVJQHUZFPTBEY-UHFFFAOYSA-N 1 0 281.331 2.654 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895540042 619550533 /nfs/dbraw/zinc/55/05/33/619550533.db2.gz QUHQFMRJSMAJIF-XYPYZODXSA-N 1 0 284.743 2.763 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1 ZINC000895791335 619607758 /nfs/dbraw/zinc/60/77/58/619607758.db2.gz QVUWPNUALHKNEK-HNNXBMFYSA-N 1 0 290.363 2.686 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000925232540 620057115 /nfs/dbraw/zinc/05/71/15/620057115.db2.gz XNOBNXYHIYPYBD-CWRNSKLLSA-N 1 0 289.379 2.730 20 5 CFBDRO CO[C@@H](C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897461371 620176823 /nfs/dbraw/zinc/17/68/23/620176823.db2.gz NQNAROCENLORCC-NHYWBVRUSA-N 1 0 278.352 2.713 20 5 CFBDRO C[C@H](C[NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461732 620176829 /nfs/dbraw/zinc/17/68/29/620176829.db2.gz WSCDSBXZJJORBL-KFNAQCHYSA-N 1 0 290.363 2.855 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000897465215 620176964 /nfs/dbraw/zinc/17/69/64/620176964.db2.gz TXALAINVVFOHJC-NSHDSACASA-N 1 0 286.335 2.587 20 5 CFBDRO CCOC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463655 620177111 /nfs/dbraw/zinc/17/71/11/620177111.db2.gz AZTVWXWVITWFIR-RYUDHWBXSA-N 1 0 266.341 2.713 20 5 CFBDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897464841 620177212 /nfs/dbraw/zinc/17/72/12/620177212.db2.gz PFGTUEQHPWSKJM-FRRDWIJNSA-N 1 0 278.352 2.713 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cccc1[N+](=O)[O-] ZINC000897501075 620192226 /nfs/dbraw/zinc/19/22/26/620192226.db2.gz MDGLIABXSAKQOC-HOCLYGCPSA-N 1 0 290.363 2.950 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898066205 620330855 /nfs/dbraw/zinc/33/08/55/620330855.db2.gz YAQNXBOQAOTDAH-DZGCQCFKSA-N 1 0 288.347 2.644 20 5 CFBDRO CN(Cc1csc([N+](=O)[O-])c1)CC(C)(C)C[NH+](C)C ZINC000898309444 620370725 /nfs/dbraw/zinc/37/07/25/620370725.db2.gz MLSFIFZELVVMQU-UHFFFAOYSA-N 1 0 285.413 2.676 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898378038 620376372 /nfs/dbraw/zinc/37/63/72/620376372.db2.gz ZEMIIPBWYALNBJ-CABCVRRESA-N 1 0 290.363 2.726 20 5 CFBDRO Cc1ccccc1[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000054566544 620407448 /nfs/dbraw/zinc/40/74/48/620407448.db2.gz SCUMCXSMDULLMK-AWEZNQCLSA-N 1 0 286.335 2.894 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000923891735 620444659 /nfs/dbraw/zinc/44/46/59/620444659.db2.gz IOEBIGLQBWIVTC-CQSZACIVSA-N 1 0 292.335 2.511 20 5 CFBDRO Cc1nn(C[C@H]2CCCC[NH2+]C2)c2ccc([N+](=O)[O-])cc12 ZINC000899628778 620588193 /nfs/dbraw/zinc/58/81/93/620588193.db2.gz DNNVVCCOELPNGW-LBPRGKRZSA-N 1 0 288.351 2.643 20 5 CFBDRO CC(=O)c1ccc(OC[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000899630149 620588487 /nfs/dbraw/zinc/58/84/87/620588487.db2.gz QAYNITDNECHBFG-LBPRGKRZSA-N 1 0 292.335 2.566 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H]2C2CCCC2)cc1 ZINC000899912294 620612875 /nfs/dbraw/zinc/61/28/75/620612875.db2.gz HONWMVSCPNIABN-HOTGVXAUSA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]2C2CCCC2)c1 ZINC000899912914 620612940 /nfs/dbraw/zinc/61/29/40/620612940.db2.gz SWMMRSQFVBKBEX-CVEARBPZSA-N 1 0 290.363 2.893 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000902445986 621083617 /nfs/dbraw/zinc/08/36/17/621083617.db2.gz NNYNBEYOTRIOER-RISCZKNCSA-N 1 0 277.368 2.552 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H](OC)C(C)C)cc([N+](=O)[O-])c1 ZINC000903104465 621254627 /nfs/dbraw/zinc/25/46/27/621254627.db2.gz IPIIIEXUMUZSSI-ABAIWWIYSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903096844 621259071 /nfs/dbraw/zinc/25/90/71/621259071.db2.gz LVZDWBKQEOYMJL-NHYWBVRUSA-N 1 0 296.367 2.661 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903146577 621268101 /nfs/dbraw/zinc/26/81/01/621268101.db2.gz HSYHVJFFFHHBPT-GXTWGEPZSA-N 1 0 298.770 2.948 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903152583 621268615 /nfs/dbraw/zinc/26/86/15/621268615.db2.gz GKZAMQHTEQIGQR-ONERCXAPSA-N 1 0 294.351 2.558 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903178316 621275886 /nfs/dbraw/zinc/27/58/86/621275886.db2.gz GGAXCTYTNMQYMC-NWDGAFQWSA-N 1 0 296.367 2.663 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCOC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000903245714 621296192 /nfs/dbraw/zinc/29/61/92/621296192.db2.gz OMQNFAITOANQGX-BXUZGUMPSA-N 1 0 278.352 2.855 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000903246203 621297462 /nfs/dbraw/zinc/29/74/62/621297462.db2.gz SENRUZUMDRCUKF-VXGBXAGGSA-N 1 0 288.351 2.783 20 5 CFBDRO COC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000903246205 621297689 /nfs/dbraw/zinc/29/76/89/621297689.db2.gz SFRBRLZJJXPFID-GXTWGEPZSA-N 1 0 280.368 2.959 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903247632 621305049 /nfs/dbraw/zinc/30/50/49/621305049.db2.gz WSHSIWDPQHIMRF-OWTLIXCDSA-N 1 0 278.352 2.711 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903301197 621315826 /nfs/dbraw/zinc/31/58/26/621315826.db2.gz OHBZHEYCRGRRPY-SLEUVZQESA-N 1 0 277.368 2.646 20 5 CFBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000903287513 621318990 /nfs/dbraw/zinc/31/89/90/621318990.db2.gz PPBMHHXMPORYDM-WXHSDQCUSA-N 1 0 292.335 2.587 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903289501 621320103 /nfs/dbraw/zinc/32/01/03/621320103.db2.gz RWIFRMLTOBXFIB-DVSCWCMQSA-N 1 0 288.347 2.730 20 5 CFBDRO CN1CC[C@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000903317855 621330448 /nfs/dbraw/zinc/33/04/48/621330448.db2.gz VPCQMSMFZWNSBV-GOEBONIOSA-N 1 0 289.379 2.656 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC(CCO)C1)CCC2 ZINC000903328934 621339807 /nfs/dbraw/zinc/33/98/07/621339807.db2.gz HLCKABALPKBHRU-IJGSQOGDSA-N 1 0 290.363 2.723 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903331843 621341607 /nfs/dbraw/zinc/34/16/07/621341607.db2.gz OEZXELIVPPSLAZ-ZWNOBZJWSA-N 1 0 278.352 2.985 20 5 CFBDRO COC(C)(C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903331842 621341835 /nfs/dbraw/zinc/34/18/35/621341835.db2.gz OEZXELIVPPSLAZ-MFKMUULPSA-N 1 0 278.352 2.985 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000903406225 621362040 /nfs/dbraw/zinc/36/20/40/621362040.db2.gz TVAVUZMBLJEFTB-XHDPSFHLSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903411467 621365501 /nfs/dbraw/zinc/36/55/01/621365501.db2.gz OJQYNXLIWFNSBQ-RNCFNFMXSA-N 1 0 282.315 2.546 20 5 CFBDRO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988026 621499569 /nfs/dbraw/zinc/49/95/69/621499569.db2.gz MSBCVIYAKMJYLS-MBNYWOFBSA-N 1 0 277.368 2.776 20 5 CFBDRO CC(C)C[C@@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903988855 621500321 /nfs/dbraw/zinc/50/03/21/621500321.db2.gz ZABBLVJUZZZYHR-DGCLKSJQSA-N 1 0 265.357 2.619 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000904464411 621597642 /nfs/dbraw/zinc/59/76/42/621597642.db2.gz WKMANTOEDAGWAR-HNNXBMFYSA-N 1 0 291.395 2.806 20 5 CFBDRO C[NH+](C)Cc1ccc(-c2cc(CO)cc([N+](=O)[O-])c2)s1 ZINC000904864921 621664609 /nfs/dbraw/zinc/66/46/09/621664609.db2.gz PZMYDZSLXUJVNP-UHFFFAOYSA-N 1 0 292.360 2.877 20 5 CFBDRO O=[N+]([O-])CC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000905028920 621689332 /nfs/dbraw/zinc/68/93/32/621689332.db2.gz UTHUNZKMTZBHMF-UHFFFAOYSA-N 1 0 270.332 2.685 20 5 CFBDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905063893 621696420 /nfs/dbraw/zinc/69/64/20/621696420.db2.gz FMFLZWXUVGOZGT-LBPRGKRZSA-N 1 0 250.342 2.609 20 5 CFBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000905077138 621699075 /nfs/dbraw/zinc/69/90/75/621699075.db2.gz VJPYEKBXYOOLKX-UHFFFAOYSA-N 1 0 298.342 2.655 20 5 CFBDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N+](=O)[O-] ZINC000905119535 621703245 /nfs/dbraw/zinc/70/32/45/621703245.db2.gz GSPWRZXWHRWMQB-GFCCVEGCSA-N 1 0 256.733 2.527 20 5 CFBDRO CCC[C@@H](CCc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905131319 621707019 /nfs/dbraw/zinc/70/70/19/621707019.db2.gz DSODIPHVBIXPBA-AWEZNQCLSA-N 1 0 250.342 2.654 20 5 CFBDRO C=C/C=C\CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905416640 621764214 /nfs/dbraw/zinc/76/42/14/621764214.db2.gz BVPXELOGFIAAEO-ARJAWSKDSA-N 1 0 289.335 2.645 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000905436658 621771458 /nfs/dbraw/zinc/77/14/58/621771458.db2.gz HKMDHICAVKPPSR-DANNLKNASA-N 1 0 290.363 2.797 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000905611553 621804694 /nfs/dbraw/zinc/80/46/94/621804694.db2.gz XCFOIBAONFUZDZ-QKCSRTOESA-N 1 0 296.392 2.502 20 5 CFBDRO Cc1ccc(NC(=O)[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000911906294 622580715 /nfs/dbraw/zinc/58/07/15/622580715.db2.gz AMYMFMAFVQIBAJ-OAHLLOKOSA-N 1 0 293.367 2.853 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000222965066 622976225 /nfs/dbraw/zinc/97/62/25/622976225.db2.gz NQNCRIRJWXTMTN-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO C[NH+](C)Cc1ccccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822469120 623110176 /nfs/dbraw/zinc/11/01/76/623110176.db2.gz DGWWLJRLXRLFMY-UHFFFAOYSA-N 1 0 293.367 2.522 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174308903 623410085 /nfs/dbraw/zinc/41/00/85/623410085.db2.gz NVPQSJQXCWXOES-CQSZACIVSA-N 1 0 295.358 2.650 20 5 CFBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824514620 623514859 /nfs/dbraw/zinc/51/48/59/623514859.db2.gz ABFKSVQLLSJEBQ-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824626148 623534136 /nfs/dbraw/zinc/53/41/36/623534136.db2.gz VPYUSSSGUFGZOR-LBPRGKRZSA-N 1 0 284.743 2.905 20 5 CFBDRO O=[N+]([O-])CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000929820307 623821506 /nfs/dbraw/zinc/82/15/06/623821506.db2.gz HNPTUXXVLWARMI-HZPDHXFCSA-N 1 0 292.379 2.631 20 5 CFBDRO O=[N+]([O-])CCN1CCC[C@@H]1c1ccccc1Br ZINC000929821121 623822725 /nfs/dbraw/zinc/82/27/25/623822725.db2.gz IZVQKRHOUJFBBN-GFCCVEGCSA-N 1 0 299.168 2.863 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000829121670 624378601 /nfs/dbraw/zinc/37/86/01/624378601.db2.gz VNDMRIKZELEFRM-LBPRGKRZSA-N 1 0 263.341 2.515 20 5 CFBDRO [NH3+]CCCCCCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000830374725 624726569 /nfs/dbraw/zinc/72/65/69/624726569.db2.gz NVVDUTMNAGHZGC-UHFFFAOYSA-N 1 0 266.345 2.578 20 5 CFBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000179848700 624980676 /nfs/dbraw/zinc/98/06/76/624980676.db2.gz QIUKGLIKWLZVJM-JTQLQIEISA-N 1 0 282.315 2.639 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831392868 625008180 /nfs/dbraw/zinc/00/81/80/625008180.db2.gz KODZYXYXDIZIQY-BIGNPOOSSA-N 1 0 296.342 2.883 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000831533719 625044017 /nfs/dbraw/zinc/04/40/17/625044017.db2.gz KBTDBPHPFYNCIR-YGRLFVJLSA-N 1 0 282.315 2.591 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)CC(C)(C)C ZINC000832099838 625223391 /nfs/dbraw/zinc/22/33/91/625223391.db2.gz OCESBICTYJEHCV-LBPRGKRZSA-N 1 0 298.358 2.963 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)CC(C)(C)C ZINC000832099837 625224103 /nfs/dbraw/zinc/22/41/03/625224103.db2.gz OCESBICTYJEHCV-GFCCVEGCSA-N 1 0 298.358 2.963 20 5 CFBDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000834883147 625908802 /nfs/dbraw/zinc/90/88/02/625908802.db2.gz ZDJCKXJHNZURGN-YGRLFVJLSA-N 1 0 281.356 2.643 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921548013 625984381 /nfs/dbraw/zinc/98/43/81/625984381.db2.gz VTBDCKJOAHUQAK-VHDGCEQUSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2C2CCC2)cc1 ZINC000921564755 625988794 /nfs/dbraw/zinc/98/87/94/625988794.db2.gz XJZRBQHGSNHFDV-UHFFFAOYSA-N 1 0 286.335 2.806 20 5 CFBDRO CCc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000922538943 626304374 /nfs/dbraw/zinc/30/43/74/626304374.db2.gz ZCFQXCTXRBFAJB-LLVKDONJSA-N 1 0 286.335 2.798 20 5 CFBDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000922826492 626371169 /nfs/dbraw/zinc/37/11/69/626371169.db2.gz ZVCCERNNPSJOKX-CYBMUJFWSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923453849 626474060 /nfs/dbraw/zinc/47/40/60/626474060.db2.gz BCGJBKJHARYLSU-DVOMOZLQSA-N 1 0 289.379 2.648 20 5 CFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000838797124 626505428 /nfs/dbraw/zinc/50/54/28/626505428.db2.gz NIBLNWXADOFKPD-HNNXBMFYSA-N 1 0 278.352 2.576 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)C3CC3)C2)cc1 ZINC000839032282 626521288 /nfs/dbraw/zinc/52/12/88/626521288.db2.gz PSGMTNDBWBKUQK-GDBMZVCRSA-N 1 0 290.363 2.545 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)C3CC3)C2)cc1 ZINC000839032286 626521300 /nfs/dbraw/zinc/52/13/00/626521300.db2.gz PSGMTNDBWBKUQK-ZBFHGGJFSA-N 1 0 290.363 2.545 20 5 CFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839191263 626530764 /nfs/dbraw/zinc/53/07/64/626530764.db2.gz FYWICJRQPIBPST-YPMHNXCESA-N 1 0 284.743 2.905 20 5 CFBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839193024 626530897 /nfs/dbraw/zinc/53/08/97/626530897.db2.gz VVHAIDQOSLKCFW-CQSZACIVSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000839469707 626537485 /nfs/dbraw/zinc/53/74/85/626537485.db2.gz MYZKIKIKXLXXDK-UHFFFAOYSA-N 1 0 299.758 2.917 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000839655822 626549705 /nfs/dbraw/zinc/54/97/05/626549705.db2.gz IVTFRBRSJMAVBI-SNVBAGLBSA-N 1 0 282.315 2.781 20 5 CFBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000839661231 626550030 /nfs/dbraw/zinc/55/00/30/626550030.db2.gz UKYROOAFBMPUNC-SNVBAGLBSA-N 1 0 282.315 2.781 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(C)OCCO1 ZINC000760892036 626782439 /nfs/dbraw/zinc/78/24/39/626782439.db2.gz RAAKQAJPFSXTNS-LBPRGKRZSA-N 1 0 294.351 2.707 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@@H](C)CC2(C)C)c1[N+](=O)[O-] ZINC000851799639 634536337 /nfs/dbraw/zinc/53/63/37/634536337.db2.gz STSWUEVMRDSNAS-QMMMGPOBSA-N 1 0 253.302 2.512 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NCCC[NH+]2CCCC2)c1 ZINC000770968168 627565084 /nfs/dbraw/zinc/56/50/84/627565084.db2.gz HVRUNUNPZAUMEG-UHFFFAOYSA-N 1 0 297.330 2.640 20 5 CFBDRO CCOc1cc(NCC[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000771227584 627586339 /nfs/dbraw/zinc/58/63/39/627586339.db2.gz CJJFQBYERYUUCW-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO CN(CCC[NH+](C)C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000775681611 628054579 /nfs/dbraw/zinc/05/45/79/628054579.db2.gz FCSRFNOLXLDKGD-UHFFFAOYSA-N 1 0 294.380 2.592 20 5 CFBDRO CO[C@@H]1CC[C@@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000852018526 634628809 /nfs/dbraw/zinc/62/88/09/634628809.db2.gz NYGATSRJYOYWAK-UKRRQHHQSA-N 1 0 278.352 2.637 20 5 CFBDRO C[C@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277080 628125171 /nfs/dbraw/zinc/12/51/71/628125171.db2.gz NMAQEDLSBOJEAJ-SMDDNHRTSA-N 1 0 280.368 2.995 20 5 CFBDRO C[C@@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776277070 628125206 /nfs/dbraw/zinc/12/52/06/628125206.db2.gz NMAQEDLSBOJEAJ-BXUZGUMPSA-N 1 0 280.368 2.995 20 5 CFBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000776580072 628160185 /nfs/dbraw/zinc/16/01/85/628160185.db2.gz QVVWXPIQSXCAKG-SWLSCSKDSA-N 1 0 280.368 2.995 20 5 CFBDRO C[C@@H](C1CC1)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776579692 628160389 /nfs/dbraw/zinc/16/03/89/628160389.db2.gz NYCVVALYKNKHKS-ZBEGNZNMSA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000776587106 628162127 /nfs/dbraw/zinc/16/21/27/628162127.db2.gz FCRMYSVARLLYHK-UHOFOFEASA-N 1 0 290.363 2.893 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000776587629 628162380 /nfs/dbraw/zinc/16/23/80/628162380.db2.gz XMYMJBZZGUFMJV-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO CCCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000779201281 628360250 /nfs/dbraw/zinc/36/02/50/628360250.db2.gz ATPXGFJTZVWYLX-UHFFFAOYSA-N 1 0 263.341 2.928 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1Cl ZINC000783680073 628733887 /nfs/dbraw/zinc/73/38/87/628733887.db2.gz PVFPCVLUENUQFZ-AAEUAGOBSA-N 1 0 298.770 2.889 20 5 CFBDRO CC[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000852166728 634678803 /nfs/dbraw/zinc/67/88/03/634678803.db2.gz XDLGHZAIZSMQRR-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC000784672492 628835453 /nfs/dbraw/zinc/83/54/53/628835453.db2.gz ZSOJWFNYAYWLAV-HAQNSBGRSA-N 1 0 298.770 2.984 20 5 CFBDRO CN1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579098 629083130 /nfs/dbraw/zinc/08/31/30/629083130.db2.gz XYBPOPDMYBIAMF-ABAIWWIYSA-N 1 0 289.379 2.611 20 5 CFBDRO CN1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579102 629083350 /nfs/dbraw/zinc/08/33/50/629083350.db2.gz XYBPOPDMYBIAMF-NHYWBVRUSA-N 1 0 289.379 2.611 20 5 CFBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589643 629083843 /nfs/dbraw/zinc/08/38/43/629083843.db2.gz SHGNCNSIUGSLAL-NWDGAFQWSA-N 1 0 294.399 2.558 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788763671 629097959 /nfs/dbraw/zinc/09/79/59/629097959.db2.gz JQMLNMXHAZBPDT-PWSUYJOCSA-N 1 0 293.367 2.785 20 5 CFBDRO Cc1ccc(OC(=O)c2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC000790151803 629214328 /nfs/dbraw/zinc/21/43/28/629214328.db2.gz UHXOMTCWNCRPIS-UHFFFAOYSA-N 1 0 297.270 2.770 20 5 CFBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000791052397 629284260 /nfs/dbraw/zinc/28/42/60/629284260.db2.gz MVZPKNKXESAAFO-GFCCVEGCSA-N 1 0 252.314 2.782 20 5 CFBDRO CC(C)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791408022 629310412 /nfs/dbraw/zinc/31/04/12/629310412.db2.gz PJKFPTZFSDTBPS-UHFFFAOYSA-N 1 0 283.759 2.779 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852457091 634750095 /nfs/dbraw/zinc/75/00/95/634750095.db2.gz OQCDQKHBQHATTQ-SMDDNHRTSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@](O)(CO)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000794748838 629683834 /nfs/dbraw/zinc/68/38/34/629683834.db2.gz UZMYTRUIVLBNMV-LJQANCHMSA-N 1 0 295.382 2.826 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1=CCCOC1 ZINC000852518623 634770842 /nfs/dbraw/zinc/77/08/42/634770842.db2.gz LMBBJEVURXJVLG-UHFFFAOYSA-N 1 0 280.299 2.512 20 5 CFBDRO C[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000852534984 634772390 /nfs/dbraw/zinc/77/23/90/634772390.db2.gz SPYHJHQZXRPQHO-RISCZKNCSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533565 634772522 /nfs/dbraw/zinc/77/25/22/634772522.db2.gz AZMWAGSCWOJFRX-SMDDNHRTSA-N 1 0 296.754 2.717 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797416432 630063404 /nfs/dbraw/zinc/06/34/04/630063404.db2.gz HZKQURKVCKQFIF-NSHDSACASA-N 1 0 286.335 2.800 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797420042 630064629 /nfs/dbraw/zinc/06/46/29/630064629.db2.gz XETUQQJGVBBEQX-NSHDSACASA-N 1 0 286.335 2.800 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000799372540 630304631 /nfs/dbraw/zinc/30/46/31/630304631.db2.gz PCZRKRQZHPGWRR-JSGCOSHPSA-N 1 0 282.315 2.781 20 5 CFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852700686 634810714 /nfs/dbraw/zinc/81/07/14/634810714.db2.gz QKZWMJFXIPUUOA-ZBVLDHOZSA-N 1 0 290.363 2.891 20 5 CFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801526334 630453151 /nfs/dbraw/zinc/45/31/51/630453151.db2.gz LAUCMWURRVVYGK-VXGBXAGGSA-N 1 0 295.358 2.648 20 5 CFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C1CC1)[NH+](C)C ZINC000804431854 630680960 /nfs/dbraw/zinc/68/09/60/630680960.db2.gz LKGATHWOUJVVDI-HNNXBMFYSA-N 1 0 291.351 2.550 20 5 CFBDRO CC[N@@H+]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804443804 630682096 /nfs/dbraw/zinc/68/20/96/630682096.db2.gz NTGUHBFRVBCEHF-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000807983547 630930661 /nfs/dbraw/zinc/93/06/61/630930661.db2.gz PPANHDYAMOABJQ-CMPLNLGQSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840859070 631243889 /nfs/dbraw/zinc/24/38/89/631243889.db2.gz GXGIDLDRGSCRCU-KKZNHRDASA-N 1 0 281.381 2.722 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000809697337 631266997 /nfs/dbraw/zinc/26/69/97/631266997.db2.gz FBEWSBIXSUAJDI-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000841039250 631316491 /nfs/dbraw/zinc/31/64/91/631316491.db2.gz HDTSGMDUJWGEHE-UHFFFAOYSA-N 1 0 297.786 2.999 20 5 CFBDRO C[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000841693205 631453058 /nfs/dbraw/zinc/45/30/58/631453058.db2.gz TYMOIQLRLCGJEV-NEPJUHHUSA-N 1 0 280.372 2.895 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000811505346 631573299 /nfs/dbraw/zinc/57/32/99/631573299.db2.gz BGUMUSZGWKQCPM-ZDUSSCGKSA-N 1 0 292.335 2.660 20 5 CFBDRO C[N@H+](CCNc1cc(N)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000811765464 631619655 /nfs/dbraw/zinc/61/96/55/631619655.db2.gz HJVQOFMOAXRRJM-UHFFFAOYSA-N 1 0 292.383 2.853 20 5 CFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000811803755 631623814 /nfs/dbraw/zinc/62/38/14/631623814.db2.gz QZVWTJYCLHPKSJ-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000811848811 631632484 /nfs/dbraw/zinc/63/24/84/631632484.db2.gz UXWVHVQKZZBKDS-JTQLQIEISA-N 1 0 296.327 2.644 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477400 631642234 /nfs/dbraw/zinc/64/22/34/631642234.db2.gz UMJDUZUMWMLHSE-BBRMVZONSA-N 1 0 289.379 2.792 20 5 CFBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000842635437 631687989 /nfs/dbraw/zinc/68/79/89/631687989.db2.gz NKVMCZNCSOBLIL-CHWSQXEVSA-N 1 0 292.383 2.897 20 5 CFBDRO CC(C)[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000843104777 631836942 /nfs/dbraw/zinc/83/69/42/631836942.db2.gz LSXZUYXCYZPJRC-CYBMUJFWSA-N 1 0 297.786 2.678 20 5 CFBDRO CC1([NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843107580 631837825 /nfs/dbraw/zinc/83/78/25/631837825.db2.gz PBOPDYIHGXRZRL-UHFFFAOYSA-N 1 0 283.759 2.561 20 5 CFBDRO [NH3+]CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843122378 631841880 /nfs/dbraw/zinc/84/18/80/631841880.db2.gz BQXDUXFEXNFTFT-LBPRGKRZSA-N 1 0 297.786 2.952 20 5 CFBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238340 631910546 /nfs/dbraw/zinc/91/05/46/631910546.db2.gz PUKYEZSZBSSULH-QMMMGPOBSA-N 1 0 294.311 2.935 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844463780 632221249 /nfs/dbraw/zinc/22/12/49/632221249.db2.gz IBISGBWAVCIOCV-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000815558496 632288884 /nfs/dbraw/zinc/28/88/84/632288884.db2.gz FMXIXRJNEDJBQJ-LLVKDONJSA-N 1 0 289.335 2.972 20 5 CFBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000815568951 632290177 /nfs/dbraw/zinc/29/01/77/632290177.db2.gz ZXZSFBYUMHFMDM-VHSXEESVSA-N 1 0 263.341 2.874 20 5 CFBDRO Cc1ccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000845670975 632513245 /nfs/dbraw/zinc/51/32/45/632513245.db2.gz DTXILJPNGNUNFW-LBPRGKRZSA-N 1 0 292.335 2.544 20 5 CFBDRO Cc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000845675780 632514503 /nfs/dbraw/zinc/51/45/03/632514503.db2.gz XLGXMQNCGLVEOF-LBPRGKRZSA-N 1 0 292.335 2.544 20 5 CFBDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907487 632728782 /nfs/dbraw/zinc/72/87/82/632728782.db2.gz PORKWSJFAUXDGC-KBPBESRZSA-N 1 0 297.786 2.998 20 5 CFBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000817907513 632728798 /nfs/dbraw/zinc/72/87/98/632728798.db2.gz PUKGIOXANCCNHP-YGRLFVJLSA-N 1 0 297.786 2.868 20 5 CFBDRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819236596 633033744 /nfs/dbraw/zinc/03/37/44/633033744.db2.gz KUUKBDNELMORIG-XHDPSFHLSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CO ZINC000857061698 635921904 /nfs/dbraw/zinc/92/19/04/635921904.db2.gz ULDCGQBJAZKDQO-JQWIXIFHSA-N 1 0 298.770 2.699 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000848785628 633343442 /nfs/dbraw/zinc/34/34/42/633343442.db2.gz NMKRIOBZRGYUEJ-STQMWFEESA-N 1 0 290.367 2.727 20 5 CFBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000849085909 633484323 /nfs/dbraw/zinc/48/43/23/633484323.db2.gz BORPPEMEXHDVAP-UHFFFAOYSA-N 1 0 284.319 2.774 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000849325796 633617875 /nfs/dbraw/zinc/61/78/75/633617875.db2.gz SVOKMFPFYDIAEJ-QEJZJMRPSA-N 1 0 276.336 2.503 20 5 CFBDRO [NH3+]C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000849350308 633625748 /nfs/dbraw/zinc/62/57/48/633625748.db2.gz XMRISHAARPXPBE-UHFFFAOYSA-N 1 0 283.759 2.609 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)ccc1Cl ZINC000850387799 633970644 /nfs/dbraw/zinc/97/06/44/633970644.db2.gz ACEXCGTUMWKALA-CHWSQXEVSA-N 1 0 296.754 2.641 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850389493 633973228 /nfs/dbraw/zinc/97/32/28/633973228.db2.gz YLCFUMJEABWVJJ-QWHCGFSZSA-N 1 0 296.754 2.641 20 5 CFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C=CCC1 ZINC000850511458 634024839 /nfs/dbraw/zinc/02/48/39/634024839.db2.gz FNHWLAMDJGGUOJ-NWDGAFQWSA-N 1 0 289.335 2.620 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C=CCC1 ZINC000850511256 634025216 /nfs/dbraw/zinc/02/52/16/634025216.db2.gz AOLLLBSZMFAUSJ-NEPJUHHUSA-N 1 0 289.335 2.620 20 5 CFBDRO CC(C)[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)[NH3+] ZINC000109504839 634069761 /nfs/dbraw/zinc/06/97/61/634069761.db2.gz WIYLMQXFZPVINN-SKDRFNHKSA-N 1 0 290.323 2.732 20 5 CFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000853016317 634877039 /nfs/dbraw/zinc/87/70/39/634877039.db2.gz XWKPJOJLWDPYRB-GXFFZTMASA-N 1 0 297.305 2.721 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000853015620 634877139 /nfs/dbraw/zinc/87/71/39/634877139.db2.gz AIYXZGLPWFWPRR-ISVAXAHUSA-N 1 0 299.733 2.576 20 5 CFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853474852 635010528 /nfs/dbraw/zinc/01/05/28/635010528.db2.gz REWBMCVALOTPFC-JTQLQIEISA-N 1 0 299.321 2.920 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000853555309 635035965 /nfs/dbraw/zinc/03/59/65/635035965.db2.gz VLSCONFVHKUHFQ-AWEZNQCLSA-N 1 0 292.383 2.959 20 5 CFBDRO Cc1nn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853577584 635040967 /nfs/dbraw/zinc/04/09/67/635040967.db2.gz UGDDDDRTTPHBNP-RYUDHWBXSA-N 1 0 286.335 2.552 20 5 CFBDRO Cc1nn(C[N@H+](CCC2CC2)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000853604769 635046811 /nfs/dbraw/zinc/04/68/11/635046811.db2.gz WUZKKSCNTVODGH-UHFFFAOYSA-N 1 0 292.383 2.878 20 5 CFBDRO C[N@H+](C[C@@H]1CC1(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853626671 635051866 /nfs/dbraw/zinc/05/18/66/635051866.db2.gz DGGGQWKGLANQHU-LBPRGKRZSA-N 1 0 288.351 2.880 20 5 CFBDRO CC[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000119445833 637656904 /nfs/dbraw/zinc/65/69/04/637656904.db2.gz LINWCWWFVBVUJC-NSHDSACASA-N 1 0 274.324 2.634 20 5 CFBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863548590 637692510 /nfs/dbraw/zinc/69/25/10/637692510.db2.gz SSYCDIOUYFATDZ-AWEZNQCLSA-N 1 0 297.786 2.678 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000865760907 638558351 /nfs/dbraw/zinc/55/83/51/638558351.db2.gz IMZVUDWNHQCOSS-HOCLYGCPSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000865760905 638558820 /nfs/dbraw/zinc/55/88/20/638558820.db2.gz IMZVUDWNHQCOSS-GDBMZVCRSA-N 1 0 290.363 2.890 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CCCC2)cc1 ZINC000865875255 638635147 /nfs/dbraw/zinc/63/51/47/638635147.db2.gz HOJYLARYQHEYRV-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO CC(C)[NH+]1CCC(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000866085741 638731013 /nfs/dbraw/zinc/73/10/13/638731013.db2.gz DIBVUZCUEYUGFW-UHFFFAOYSA-N 1 0 298.412 2.974 20 5 CFBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000866112470 638743384 /nfs/dbraw/zinc/74/33/84/638743384.db2.gz CEFTZNWLCBQPCD-UHFFFAOYSA-N 1 0 298.774 2.564 20 5 CFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000866114670 638744158 /nfs/dbraw/zinc/74/41/58/638744158.db2.gz OOZFSOAPPNPUSP-UHFFFAOYSA-N 1 0 263.341 2.515 20 5 CFBDRO CN1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000866192138 638766823 /nfs/dbraw/zinc/76/68/23/638766823.db2.gz CZQHMOXZMJTXMQ-AWEZNQCLSA-N 1 0 284.319 2.588 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000866208354 638770792 /nfs/dbraw/zinc/77/07/92/638770792.db2.gz TZCRAMHEZWJFIL-GWCFXTLKSA-N 1 0 295.770 2.779 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cccnc1 ZINC000866211669 638771192 /nfs/dbraw/zinc/77/11/92/638771192.db2.gz GNNVBDXCAMGPQT-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274543 638786877 /nfs/dbraw/zinc/78/68/77/638786877.db2.gz NUGHCZZBNCQWQQ-RISCZKNCSA-N 1 0 298.358 2.662 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866281562 638788562 /nfs/dbraw/zinc/78/85/62/638788562.db2.gz RCHMWLMSNXJDKB-VXGBXAGGSA-N 1 0 298.358 2.663 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000866281871 638788988 /nfs/dbraw/zinc/78/89/88/638788988.db2.gz VOVFPKSROMTJRX-XHDPSFHLSA-N 1 0 296.342 2.824 20 5 CFBDRO COC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866284318 638789097 /nfs/dbraw/zinc/78/90/97/638789097.db2.gz AMBOVFXXXKLEJT-JTQLQIEISA-N 1 0 284.331 2.680 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866300832 638791799 /nfs/dbraw/zinc/79/17/99/638791799.db2.gz FAEOVYURVJDDBS-RISCZKNCSA-N 1 0 298.358 2.806 20 5 CFBDRO COCC[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374001 638808409 /nfs/dbraw/zinc/80/84/09/638808409.db2.gz ZDXVEWYPGQUXDA-NWDGAFQWSA-N 1 0 298.358 2.927 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C=CCC1 ZINC000866388781 638811900 /nfs/dbraw/zinc/81/19/00/638811900.db2.gz MTRJEDBGEHHYBW-GWCFXTLKSA-N 1 0 264.300 2.973 20 5 CFBDRO C/C=C/C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866398316 638814753 /nfs/dbraw/zinc/81/47/53/638814753.db2.gz MLCKNTCXZVFIGO-HMDXOVGESA-N 1 0 252.289 2.831 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866581884 638848405 /nfs/dbraw/zinc/84/84/05/638848405.db2.gz BPQQEIZBJFHSMR-UMVBOHGHSA-N 1 0 289.379 2.682 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725200 638871117 /nfs/dbraw/zinc/87/11/17/638871117.db2.gz PPWMQWHVMWSDIG-STQMWFEESA-N 1 0 295.770 2.575 20 5 CFBDRO Cc1nn(C[N@@H+](C)C2CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121225978 638874954 /nfs/dbraw/zinc/87/49/54/638874954.db2.gz SAYFWOWJXALOFN-UHFFFAOYSA-N 1 0 274.324 2.695 20 5 CFBDRO COc1ccc(C[NH2+]CCC2CCC2)cc1[N+](=O)[O-] ZINC000123000524 639539928 /nfs/dbraw/zinc/53/99/28/639539928.db2.gz GWXFMNGVRZCWSW-UHFFFAOYSA-N 1 0 264.325 2.883 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016079 641546888 /nfs/dbraw/zinc/54/68/88/641546888.db2.gz DJQMYEMRVCZTFL-UWVGGRQHSA-N 1 0 268.288 2.564 20 5 CFBDRO C[C@H](NCC(C)(C)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016920 641548113 /nfs/dbraw/zinc/54/81/13/641548113.db2.gz QNHLFIJXVSSGDG-JTQLQIEISA-N 1 0 283.347 2.725 20 5 CFBDRO CC[NH+](CC)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017135 641548596 /nfs/dbraw/zinc/54/85/96/641548596.db2.gz USBQPIRSILMEBL-LLVKDONJSA-N 1 0 283.347 2.726 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024950 641556891 /nfs/dbraw/zinc/55/68/91/641556891.db2.gz XPBKUJZQYPDIAV-WDEREUQCSA-N 1 0 282.315 2.811 20 5 CFBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030296 641560608 /nfs/dbraw/zinc/56/06/08/641560608.db2.gz CKCMAUMLQQYGMQ-ZJUUUORDSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032827 641563429 /nfs/dbraw/zinc/56/34/29/641563429.db2.gz ALUCBCQGLCKOJN-ZJUUUORDSA-N 1 0 268.288 2.564 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N(C)C ZINC000872033943 641564287 /nfs/dbraw/zinc/56/42/87/641564287.db2.gz KLPSPVTVKFZZNM-WDEREUQCSA-N 1 0 297.424 2.917 20 5 CFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872035786 641567263 /nfs/dbraw/zinc/56/72/63/641567263.db2.gz YZTALWIKQNDGTE-GDBMZVCRSA-N 1 0 292.379 2.932 20 5 CFBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036646 641570042 /nfs/dbraw/zinc/57/00/42/641570042.db2.gz UHIOQNYFTSBJLM-UWVGGRQHSA-N 1 0 270.304 2.546 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037654 641571228 /nfs/dbraw/zinc/57/12/28/641571228.db2.gz HJURBKPODZJWHS-VHSXEESVSA-N 1 0 270.304 2.810 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000872040609 641574373 /nfs/dbraw/zinc/57/43/73/641574373.db2.gz ZINXDPPVTONVFA-VWYCJHECSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046949 641581315 /nfs/dbraw/zinc/58/13/15/641581315.db2.gz AAJIUCMNSUYEAE-RKDXNWHRSA-N 1 0 270.329 2.890 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049738 641584138 /nfs/dbraw/zinc/58/41/38/641584138.db2.gz UWLJABYURXKVRG-MNOVXSKESA-N 1 0 284.331 2.936 20 5 CFBDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051346 641585062 /nfs/dbraw/zinc/58/50/62/641585062.db2.gz JJZBGQJIGBEBLQ-GXSJLCMTSA-N 1 0 282.315 2.546 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872052795 641586867 /nfs/dbraw/zinc/58/68/67/641586867.db2.gz UIEOHIHFUZFOCQ-GOEBONIOSA-N 1 0 292.379 2.932 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053571 641588294 /nfs/dbraw/zinc/58/82/94/641588294.db2.gz YLKHPNQTEKXVJR-QWRGUYRKSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059855 641593266 /nfs/dbraw/zinc/59/32/66/641593266.db2.gz JCOBYAWMWIRFBT-GUBZILKMSA-N 1 0 270.304 2.544 20 5 CFBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062591 641593886 /nfs/dbraw/zinc/59/38/86/641593886.db2.gz NNILNNSVJQBBRM-WDEREUQCSA-N 1 0 282.315 2.811 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872064144 641596389 /nfs/dbraw/zinc/59/63/89/641596389.db2.gz CKDRGBFSNHUEIC-DMDPSCGWSA-N 1 0 296.342 2.936 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064294 641597057 /nfs/dbraw/zinc/59/70/57/641597057.db2.gz FJXYXZZPGHSILN-IVZWLZJFSA-N 1 0 270.304 2.808 20 5 CFBDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872074119 641606077 /nfs/dbraw/zinc/60/60/77/641606077.db2.gz BPSMOHFCJHYZRE-SNVBAGLBSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075064 641607216 /nfs/dbraw/zinc/60/72/16/641607216.db2.gz NIBQHFHDWDJBFU-GHMZBOCLSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077515 641610323 /nfs/dbraw/zinc/61/03/23/641610323.db2.gz JWXKSCPJBKOTIE-OUAUKWLOSA-N 1 0 282.315 2.952 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077514 641610570 /nfs/dbraw/zinc/61/05/70/641610570.db2.gz JWXKSCPJBKOTIE-MXWKQRLJSA-N 1 0 282.315 2.952 20 5 CFBDRO CN(CCCCCC[NH3+])Cc1c(F)cccc1[N+](=O)[O-] ZINC000872155414 641676072 /nfs/dbraw/zinc/67/60/72/641676072.db2.gz RDWKNFUPILMSBC-UHFFFAOYSA-N 1 0 283.347 2.685 20 5 CFBDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193725742 650689608 /nfs/dbraw/zinc/68/96/08/650689608.db2.gz QHMFXEGULDSVEP-SECBINFHSA-N 1 0 252.289 2.964 20 5 CFBDRO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000872780611 641934569 /nfs/dbraw/zinc/93/45/69/641934569.db2.gz MNDANOIGBSILOG-STQMWFEESA-N 1 0 293.342 2.715 20 5 CFBDRO COCCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873013897 641984536 /nfs/dbraw/zinc/98/45/36/641984536.db2.gz ISMBOTCABWEHCC-UHFFFAOYSA-N 1 0 266.341 2.728 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873052477 641996714 /nfs/dbraw/zinc/99/67/14/641996714.db2.gz YDTSTXLSGQJCKS-ZUZCIYMTSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000873076531 642006017 /nfs/dbraw/zinc/00/60/17/642006017.db2.gz PNRDCWBLMMJNMK-XBXGTLAGSA-N 1 0 278.352 2.544 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000873079267 642007418 /nfs/dbraw/zinc/00/74/18/642007418.db2.gz VENQDEVIPDYXDW-FMKPAKJESA-N 1 0 290.363 2.950 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CC=CCC1 ZINC000873117690 642018017 /nfs/dbraw/zinc/01/80/17/642018017.db2.gz MBWKTIKUYGIZIM-UHFFFAOYSA-N 1 0 289.379 2.563 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000873129689 642022060 /nfs/dbraw/zinc/02/20/60/642022060.db2.gz QKTTXTVMIBLVRR-CJNGLKHVSA-N 1 0 292.379 2.852 20 5 CFBDRO COCC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130262 642022400 /nfs/dbraw/zinc/02/24/00/642022400.db2.gz CKNKXARXDPZOCA-LLVKDONJSA-N 1 0 266.341 2.665 20 5 CFBDRO CCCC[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873133030 642023582 /nfs/dbraw/zinc/02/35/82/642023582.db2.gz BKIRWXJIXBXFNU-OAHLLOKOSA-N 1 0 280.368 2.934 20 5 CFBDRO Cc1c(CNC[C@H]2CCCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000873141469 642028368 /nfs/dbraw/zinc/02/83/68/642028368.db2.gz FSSAGAMLIBCNCM-CQSZACIVSA-N 1 0 291.395 2.725 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000873149319 642031971 /nfs/dbraw/zinc/03/19/71/642031971.db2.gz CFHAIQRXCBYKLI-MPKXVKKWSA-N 1 0 278.352 2.867 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(F)c1 ZINC000873155886 642038823 /nfs/dbraw/zinc/03/88/23/642038823.db2.gz HWULTLWCDVVFCJ-XEGUGMAKSA-N 1 0 294.326 2.781 20 5 CFBDRO Cc1ccc(CN[C@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873253485 642099206 /nfs/dbraw/zinc/09/92/06/642099206.db2.gz YKZDILLORVTQMI-KGLIPLIRSA-N 1 0 277.368 2.653 20 5 CFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000125234534 642564514 /nfs/dbraw/zinc/56/45/14/642564514.db2.gz AUUMRCHKGDEVMK-GXFFZTMASA-N 1 0 276.292 2.572 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000087016967 650798406 /nfs/dbraw/zinc/79/84/06/650798406.db2.gz DBVOQEKAHBCNOZ-LBPRGKRZSA-N 1 0 278.352 2.941 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000876751411 642994310 /nfs/dbraw/zinc/99/43/10/642994310.db2.gz YPAOCOQGXIHKOK-GXTWGEPZSA-N 1 0 292.379 2.947 20 5 CFBDRO C[C@H]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964540 643084283 /nfs/dbraw/zinc/08/42/83/643084283.db2.gz ITKNMQMVOGVHDW-FEPKRQSRSA-N 1 0 292.383 2.911 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876970087 643086656 /nfs/dbraw/zinc/08/66/56/643086656.db2.gz INSHVBTXGUCNNY-JYBOHDQNSA-N 1 0 266.345 2.519 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC(C3CC3)C3CC3)C2)c1 ZINC000877071899 643135456 /nfs/dbraw/zinc/13/54/56/643135456.db2.gz UMQVHWWFGLKQAZ-UHFFFAOYSA-N 1 0 290.367 2.521 20 5 CFBDRO Cc1cc(C)[nH+]c(NC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877115939 643158976 /nfs/dbraw/zinc/15/89/76/643158976.db2.gz XCCULAOWHVNBLB-UHFFFAOYSA-N 1 0 287.323 2.619 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCC[NH+](C)C ZINC000877522213 643326225 /nfs/dbraw/zinc/32/62/25/643326225.db2.gz LBHFMLCWLFEUOQ-UHFFFAOYSA-N 1 0 279.384 2.595 20 5 CFBDRO CC[C@H](C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877623815 643410663 /nfs/dbraw/zinc/41/06/63/643410663.db2.gz ARTABVPPPGRWJG-UNXYVOJBSA-N 1 0 266.345 2.521 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000877629116 643414081 /nfs/dbraw/zinc/41/40/81/643414081.db2.gz QMFZJQFFABTCST-RYUDHWBXSA-N 1 0 292.379 2.660 20 5 CFBDRO CC(C)c1ccc(C[NH2+]C2CSC2)cc1[N+](=O)[O-] ZINC000877635482 643418947 /nfs/dbraw/zinc/41/89/47/643418947.db2.gz SVERXDQVHPONSR-UHFFFAOYSA-N 1 0 266.366 2.923 20 5 CFBDRO Cc1ccc(C[NH2+]CCC[C@H]2CCO2)cc1[N+](=O)[O-] ZINC000877730015 643490037 /nfs/dbraw/zinc/49/00/37/643490037.db2.gz JTHJLNGXBVYKTN-ZDUSSCGKSA-N 1 0 264.325 2.562 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000126727570 643584883 /nfs/dbraw/zinc/58/48/83/643584883.db2.gz YTKDQZDRVIIBKW-RISCZKNCSA-N 1 0 290.319 2.880 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000126727781 643587101 /nfs/dbraw/zinc/58/71/01/643587101.db2.gz YTKDQZDRVIIBKW-FZMZJTMJSA-N 1 0 290.319 2.880 20 5 CFBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000877982851 643678137 /nfs/dbraw/zinc/67/81/37/643678137.db2.gz CEHKBMQXGNERPJ-UHFFFAOYSA-N 1 0 290.323 2.875 20 5 CFBDRO CC(C)[C@H](O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286219 643821428 /nfs/dbraw/zinc/82/14/28/643821428.db2.gz LKLPXMHFWHQAOD-MRXNPFEDSA-N 1 0 292.379 2.966 20 5 CFBDRO CC(C)[C@H](O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878325141 643841294 /nfs/dbraw/zinc/84/12/94/643841294.db2.gz FAXZBRLEISZMDE-MRXNPFEDSA-N 1 0 292.379 2.966 20 5 CFBDRO C=C/C=C\CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000878524924 643927624 /nfs/dbraw/zinc/92/76/24/643927624.db2.gz UUFGOCXRDAPJEG-ARJAWSKDSA-N 1 0 276.340 2.561 20 5 CFBDRO CC(C)[C@@H](O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000878644366 643971894 /nfs/dbraw/zinc/97/18/94/643971894.db2.gz XRMUAIFROMLBBN-AWEZNQCLSA-N 1 0 280.368 2.827 20 5 CFBDRO C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000090721325 650880781 /nfs/dbraw/zinc/88/07/81/650880781.db2.gz DFICFZBCWKSVLA-CMPLNLGQSA-N 1 0 297.786 2.821 20 5 CFBDRO CC(C)(C)[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881829902 645136223 /nfs/dbraw/zinc/13/62/23/645136223.db2.gz ZAFZZBKCADUGRV-UHFFFAOYSA-N 1 0 296.346 2.804 20 5 CFBDRO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000881830058 645136269 /nfs/dbraw/zinc/13/62/69/645136269.db2.gz QOPNJCCTDAYDNJ-NSHDSACASA-N 1 0 296.346 2.663 20 5 CFBDRO CC1([NH+]2CCC2)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000882964008 645533235 /nfs/dbraw/zinc/53/32/35/645533235.db2.gz PZCKUCHPFWSPJY-UHFFFAOYSA-N 1 0 281.381 2.721 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C=CCC2)n1 ZINC000883245408 645693471 /nfs/dbraw/zinc/69/34/71/645693471.db2.gz LBGPXFBHBUWVAA-HZSPNIEDSA-N 1 0 290.367 2.831 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000883261414 645706667 /nfs/dbraw/zinc/70/66/67/645706667.db2.gz APWLZBPAXOTPQJ-JOCQHMNTSA-N 1 0 278.352 2.726 20 5 CFBDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000883273151 645715216 /nfs/dbraw/zinc/71/52/16/645715216.db2.gz FJPSPWKVNIMGHY-JTNHKYCSSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000253194088 651040197 /nfs/dbraw/zinc/04/01/97/651040197.db2.gz PMPATOLBFPGMNG-CMPLNLGQSA-N 1 0 297.786 2.665 20 5 CFBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000883354920 645760020 /nfs/dbraw/zinc/76/00/20/645760020.db2.gz FEVZUXDWZJFRBQ-GXTWGEPZSA-N 1 0 277.368 2.648 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@H]2CO)ccc1Cl ZINC000133334423 646074284 /nfs/dbraw/zinc/07/42/84/646074284.db2.gz OPCPIBWKFYZUFN-LBPRGKRZSA-N 1 0 298.770 2.985 20 5 CFBDRO COCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135581839 646554966 /nfs/dbraw/zinc/55/49/66/646554966.db2.gz RGKPIFKWTHZINH-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000886109464 646876194 /nfs/dbraw/zinc/87/61/94/646876194.db2.gz LCEYPHNIEBIDFL-WHOFXGATSA-N 1 0 276.336 2.672 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccccc1[N+](=O)[O-] ZINC000886114323 646878275 /nfs/dbraw/zinc/87/82/75/646878275.db2.gz MQCZPMIVZITJOW-ZOWXZIJZSA-N 1 0 276.336 2.672 20 5 CFBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886275836 646946584 /nfs/dbraw/zinc/94/65/84/646946584.db2.gz NULDALHLBFNLNN-JTQLQIEISA-N 1 0 251.330 2.904 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886555498 647045393 /nfs/dbraw/zinc/04/53/93/647045393.db2.gz UUWCIDHJRRKKMD-RTXFEEFZSA-N 1 0 278.377 2.951 20 5 CFBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000886572048 647051802 /nfs/dbraw/zinc/05/18/02/647051802.db2.gz VANBLFIPCYQEDK-BETUJISGSA-N 1 0 278.377 2.698 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865122 647164274 /nfs/dbraw/zinc/16/42/74/647164274.db2.gz AOZNQLTZQKSKFH-INIZCTEOSA-N 1 0 289.379 2.560 20 5 CFBDRO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000300670499 647347134 /nfs/dbraw/zinc/34/71/34/647347134.db2.gz OETHHHHTVJPGBU-BNOWGMLFSA-N 1 0 296.392 2.502 20 5 CFBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924956810 648080032 /nfs/dbraw/zinc/08/00/32/648080032.db2.gz YQQVWJQOIZDDJY-HZPDHXFCSA-N 1 0 292.379 2.788 20 5 CFBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924956807 648080158 /nfs/dbraw/zinc/08/01/58/648080158.db2.gz YQQVWJQOIZDDJY-CVEARBPZSA-N 1 0 292.379 2.788 20 5 CFBDRO C[C@H](Cc1ccccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925152182 648117490 /nfs/dbraw/zinc/11/74/90/648117490.db2.gz GLBCTFDXTFLHHX-CYBMUJFWSA-N 1 0 285.347 2.753 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000925311161 648154870 /nfs/dbraw/zinc/15/48/70/648154870.db2.gz PKRUVYUHCWFVLD-MRXNPFEDSA-N 1 0 290.363 2.890 20 5 CFBDRO CC1(C)[NH2+]CC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925628819 648249165 /nfs/dbraw/zinc/24/91/65/648249165.db2.gz JQCDZMGCHVTKNO-ZDUSSCGKSA-N 1 0 297.786 2.521 20 5 CFBDRO C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1[N+](=O)[O-] ZINC000925635556 648253803 /nfs/dbraw/zinc/25/38/03/648253803.db2.gz NWVZRTIZEUTHRR-ZLKJLUDKSA-N 1 0 275.352 2.515 20 5 CFBDRO CC(C)([NH3+])CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925742280 648306247 /nfs/dbraw/zinc/30/62/47/648306247.db2.gz RSHRVXHHUHUCDG-AWEZNQCLSA-N 1 0 291.395 2.633 20 5 CFBDRO Cc1ccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000926796390 648619758 /nfs/dbraw/zinc/61/97/58/648619758.db2.gz NVRWRBWJLKWQOA-RYUDHWBXSA-N 1 0 278.352 2.664 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000927019241 648685054 /nfs/dbraw/zinc/68/50/54/648685054.db2.gz DKWYTQNNRASPBU-FZMZJTMJSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927022069 648685969 /nfs/dbraw/zinc/68/59/69/648685969.db2.gz QEPVULLHYJCUNH-ABAIWWIYSA-N 1 0 293.367 2.787 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000927026250 648687279 /nfs/dbraw/zinc/68/72/79/648687279.db2.gz ZVLCSPVTOWPCOL-YPMHNXCESA-N 1 0 296.367 2.805 20 5 CFBDRO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987568 649160213 /nfs/dbraw/zinc/16/02/13/649160213.db2.gz KLZVZWKKVXELKI-AGIUHOORSA-N 1 0 290.367 2.522 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN(CCOC1CC1)C1CC1 ZINC000930060521 649174933 /nfs/dbraw/zinc/17/49/33/649174933.db2.gz KJPJZYCQWXZTQA-UHFFFAOYSA-N 1 0 276.336 2.738 20 5 CFBDRO CCc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000930352671 649236610 /nfs/dbraw/zinc/23/66/10/649236610.db2.gz CKDDDLHLGVSSAK-UHFFFAOYSA-N 1 0 289.335 2.820 20 5 CFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931039745 649369786 /nfs/dbraw/zinc/36/97/86/649369786.db2.gz SXUOXBHPVCMLJX-GXFFZTMASA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931046956 649370361 /nfs/dbraw/zinc/37/03/61/649370361.db2.gz CSPRXAPCQOBMCN-JMSVASOKSA-N 1 0 277.368 2.680 20 5 CFBDRO Cc1ccc(CN2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000931355411 649413947 /nfs/dbraw/zinc/41/39/47/649413947.db2.gz QSMPPUMVPVWDCV-UHFFFAOYSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1c(CN2Cc3c[nH]nc3[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000931456545 649431480 /nfs/dbraw/zinc/43/14/80/649431480.db2.gz QXMBBJQZYKTWFT-JTQLQIEISA-N 1 0 286.335 2.746 20 5 CFBDRO Cc1cnc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000932178022 649559916 /nfs/dbraw/zinc/55/99/16/649559916.db2.gz TYYFICSLENGGMI-LLVKDONJSA-N 1 0 272.308 2.544 20 5 CFBDRO Cc1cccc(C)c1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000933767648 649720482 /nfs/dbraw/zinc/72/04/82/649720482.db2.gz VERDATMNRRMIRL-UHFFFAOYSA-N 1 0 288.351 2.540 20 5 CFBDRO C[C@@H]1CSCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000934304761 649771269 /nfs/dbraw/zinc/77/12/69/649771269.db2.gz XTROJEDVPBQQCR-GFCCVEGCSA-N 1 0 296.392 2.801 20 5 CFBDRO CC(C)c1ccc(C[NH2+]CCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000116918798 651282708 /nfs/dbraw/zinc/28/27/08/651282708.db2.gz KFHUFALRTZTNDD-FQEVSTJZSA-N 1 0 298.408 2.576 20 5 CFBDRO C[C@H](C[N+](C)(C)C)OCCSc1ccccc1 ZINC001224912148 775306312 /nfs/dbraw/zinc/30/63/12/775306312.db2.gz SQSNTEJFLWFWDI-CYBMUJFWSA-N 1 0 254.419 2.890 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c(Cl)cn1 ZINC001229224776 776758269 /nfs/dbraw/zinc/75/82/69/776758269.db2.gz VYZUMUVPSHBIST-QMMMGPOBSA-N 1 0 264.176 2.862 20 5 CFBDRO Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)ncc1[N+](=O)[O-] ZINC001167624485 773195458 /nfs/dbraw/zinc/19/54/58/773195458.db2.gz IOOGCFRTJGSIHR-UHFFFAOYSA-N 1 0 292.383 2.783 20 5 CFBDRO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000724674058 773240259 /nfs/dbraw/zinc/24/02/59/773240259.db2.gz LURMXNDRWFKCQW-VIFPVBQESA-N 1 0 274.324 2.786 20 5 CFBDRO Cc1cnc(CO[C@@H]2CCC[N@@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC001224182026 775120953 /nfs/dbraw/zinc/12/09/53/775120953.db2.gz DNHWBYCNXXXDSV-CYBMUJFWSA-N 1 0 293.367 2.608 20 5 CFBDRO C[N+](C)(C)CCCO[C@H]1CCc2c1nccc2Cl ZINC001224619826 775228068 /nfs/dbraw/zinc/22/80/68/775228068.db2.gz RSIWWEKIUXBUGJ-ZDUSSCGKSA-N 1 0 269.796 2.835 20 5 CFBDRO C[N@@H+]1CCCC[C@@H]1CO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224703934 775254176 /nfs/dbraw/zinc/25/41/76/775254176.db2.gz VRLDKEVXCUPAKT-CVEARBPZSA-N 1 0 290.363 2.563 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725078681 775268825 /nfs/dbraw/zinc/26/88/25/775268825.db2.gz YDBJHGXCPWUGGO-CQSZACIVSA-N 1 0 278.352 2.626 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1CCCc2c(Cl)ccnc21 ZINC001224773635 775269337 /nfs/dbraw/zinc/26/93/37/775269337.db2.gz LMUUGTGEXMKPLR-ZDUSSCGKSA-N 1 0 269.796 2.835 20 5 CFBDRO C[N+](C)(C)CCOC1CCC(C(F)(F)F)CC1 ZINC001224771398 775270272 /nfs/dbraw/zinc/27/02/72/775270272.db2.gz LUCLDBSABWXXBA-UHFFFAOYSA-N 1 0 254.316 2.830 20 5 CFBDRO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000693926959 775283903 /nfs/dbraw/zinc/28/39/03/775283903.db2.gz PVBRRMPJKXCQHN-TZMCWYRMSA-N 1 0 277.368 2.730 20 5 CFBDRO CCOC(=O)c1ccccc1CCO[C@@H](C)C[N+](C)(C)C ZINC001224854098 775291195 /nfs/dbraw/zinc/29/11/95/775291195.db2.gz HBRNXYLQDBPFRU-AWEZNQCLSA-N 1 0 294.415 2.517 20 5 CFBDRO Cc1ccc(O[C@@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001217984074 775419811 /nfs/dbraw/zinc/41/98/11/775419811.db2.gz DPUYOIBCTDKNJO-SMDDNHRTSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1c(O[C@@H]2CC[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001218028162 775453465 /nfs/dbraw/zinc/45/34/65/775453465.db2.gz SUKOEFCPUFAWJI-GXFFZTMASA-N 1 0 264.325 2.670 20 5 CFBDRO CCN1CCC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432793 775454030 /nfs/dbraw/zinc/45/40/30/775454030.db2.gz GFOBHNSWUHEPLI-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2sccc2c1 ZINC001225452008 775463199 /nfs/dbraw/zinc/46/31/99/775463199.db2.gz ULEWRIQRFTYMMU-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC001225627630 775531063 /nfs/dbraw/zinc/53/10/63/775531063.db2.gz CYNUBEBZNZUYJD-OAHLLOKOSA-N 1 0 299.330 2.643 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001225667435 775548391 /nfs/dbraw/zinc/54/83/91/775548391.db2.gz RSXNQJVVGIVLAY-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C(C)=O)ccc1[N+](=O)[O-] ZINC001225803978 775598902 /nfs/dbraw/zinc/59/89/02/775598902.db2.gz LLUYVSIIGVAQNP-NSHDSACASA-N 1 0 294.351 2.907 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225916109 775634361 /nfs/dbraw/zinc/63/43/61/775634361.db2.gz NKEWXMONWMOZMS-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc2c(F)cccc12 ZINC001225933949 775639455 /nfs/dbraw/zinc/63/94/55/775639455.db2.gz JTSGAIJLRISKSX-LLVKDONJSA-N 1 0 263.336 2.847 20 5 CFBDRO C[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC001218408195 775641768 /nfs/dbraw/zinc/64/17/68/775641768.db2.gz UIOLAYYFSHJZEF-WPRPVWTQSA-N 1 0 270.716 2.768 20 5 CFBDRO C[C@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC001218408194 775642021 /nfs/dbraw/zinc/64/20/21/775642021.db2.gz UIOLAYYFSHJZEF-WCBMZHEXSA-N 1 0 270.716 2.768 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961846 775649232 /nfs/dbraw/zinc/64/92/32/775649232.db2.gz APDZUTPSKRMOCS-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[NH2+]C[C@@H]1C ZINC001218418482 775650996 /nfs/dbraw/zinc/65/09/96/775650996.db2.gz ZUPOVSCCCVLVLD-AAEUAGOBSA-N 1 0 264.325 2.588 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226008726 775666100 /nfs/dbraw/zinc/66/61/00/775666100.db2.gz HEMAFBIRLUOGLY-NSHDSACASA-N 1 0 282.315 2.986 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226196241 775734508 /nfs/dbraw/zinc/73/45/08/775734508.db2.gz OCWXBSTYHAPJJU-SSDOTTSWSA-N 1 0 276.695 2.716 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001226255933 775757876 /nfs/dbraw/zinc/75/78/76/775757876.db2.gz QGJYRDIZROIGQM-DOFRTFSJSA-N 1 0 297.742 2.647 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccccc2)nn1 ZINC001226504359 775851769 /nfs/dbraw/zinc/85/17/69/775851769.db2.gz ZLGJFWXUMLTPBJ-CYBMUJFWSA-N 1 0 272.372 2.617 20 5 CFBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC001226528882 775860316 /nfs/dbraw/zinc/86/03/16/775860316.db2.gz CERIAGBNRGBZBW-UHFFFAOYSA-N 1 0 292.335 2.661 20 5 CFBDRO COc1cccc(O[C@@H](C)C[N+](C)(C)C)c1Cl ZINC001226632010 775896738 /nfs/dbraw/zinc/89/67/38/775896738.db2.gz ZMCHYGATKGFTCE-JTQLQIEISA-N 1 0 258.769 2.822 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])cc1Cl ZINC001226762558 775952996 /nfs/dbraw/zinc/95/29/96/775952996.db2.gz VGGNEHKDFUZYBK-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915907 776016434 /nfs/dbraw/zinc/01/64/34/776016434.db2.gz SWFJSCLSJSJXTE-SECBINFHSA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1sc2ncnc(O[C@H](C)C[N+](C)(C)C)c2c1C ZINC001227082288 776088238 /nfs/dbraw/zinc/08/82/38/776088238.db2.gz MQGKNINKEYKHSU-SECBINFHSA-N 1 0 280.417 2.782 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000025484578 776095088 /nfs/dbraw/zinc/09/50/88/776095088.db2.gz AMFZYDSSEZFVGI-GXFFZTMASA-N 1 0 280.372 2.876 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152872 776117164 /nfs/dbraw/zinc/11/71/64/776117164.db2.gz FHRYAOGNSHFDPX-QMMMGPOBSA-N 1 0 288.706 2.860 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152932 776117176 /nfs/dbraw/zinc/11/71/76/776117176.db2.gz GAFPBRPYLGXGNI-QMMMGPOBSA-N 1 0 288.706 2.860 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2[nH]1 ZINC001227262590 776162905 /nfs/dbraw/zinc/16/29/05/776162905.db2.gz TUKZETAIRKNKGB-SECBINFHSA-N 1 0 268.768 2.690 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1[N+](=O)[O-])C2 ZINC001227481335 776212284 /nfs/dbraw/zinc/21/22/84/776212284.db2.gz SUMLMWTVNXWHFV-GDNZZTSVSA-N 1 0 262.309 2.599 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2scnc21 ZINC001227953517 776338266 /nfs/dbraw/zinc/33/82/66/776338266.db2.gz KHQKZQSAMYQVNS-JTQLQIEISA-N 1 0 251.375 2.770 20 5 CFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cncc([N+](=O)[O-])c1)C2 ZINC001227990018 776352389 /nfs/dbraw/zinc/35/23/89/776352389.db2.gz DINDCZWXYJIFNV-IMRBUKKESA-N 1 0 291.351 2.772 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228257437 776435992 /nfs/dbraw/zinc/43/59/92/776435992.db2.gz IMKDQMAKGXHAOU-SECBINFHSA-N 1 0 273.740 2.722 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc2cnccc21 ZINC001223133848 776483215 /nfs/dbraw/zinc/48/32/15/776483215.db2.gz OEUYFMYJWJJWJQ-ZDUSSCGKSA-N 1 0 259.373 2.846 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c3c1CCCN3CCC2 ZINC001228424857 776486947 /nfs/dbraw/zinc/48/69/47/776486947.db2.gz BRBBTANKYCOHQY-CQSZACIVSA-N 1 0 289.443 2.859 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228613011 776539915 /nfs/dbraw/zinc/53/99/15/776539915.db2.gz NJHFNKWFFIUQQQ-JTQLQIEISA-N 1 0 286.278 2.735 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1OC1CC[NH+](C2CC2)CC1 ZINC001228915334 776657777 /nfs/dbraw/zinc/65/77/77/776657777.db2.gz CRYHDCLSUSFSGS-UHFFFAOYSA-N 1 0 276.336 2.909 20 5 CFBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H](C)C[NH+](C)C ZINC001229178903 776745037 /nfs/dbraw/zinc/74/50/37/776745037.db2.gz DTECFALBOLZURM-SNVBAGLBSA-N 1 0 280.324 2.516 20 5 CFBDRO COc1cc(C(C)=O)c(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001230273674 776969132 /nfs/dbraw/zinc/96/91/32/776969132.db2.gz DSUCBTKCLPNRSH-SNVBAGLBSA-N 1 0 284.351 2.510 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cccc(Cl)c21 ZINC001230755973 777057508 /nfs/dbraw/zinc/05/75/08/777057508.db2.gz WURLKSJVQSHGCJ-SNVBAGLBSA-N 1 0 280.779 2.757 20 5 CFBDRO COC(=O)C[C@H](C)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001231013430 777116585 /nfs/dbraw/zinc/11/65/85/777116585.db2.gz VMKBKKAZLWHGIO-UONOGXRCSA-N 1 0 294.415 2.827 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2cnco2)cc1 ZINC001231051418 777126512 /nfs/dbraw/zinc/12/65/12/777126512.db2.gz OEYOPPGMDGTXHM-LBPRGKRZSA-N 1 0 261.345 2.815 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2cc(F)c(F)cc2c1 ZINC001231142451 777155958 /nfs/dbraw/zinc/15/59/58/777155958.db2.gz MSYDMFUQYLZXDT-SNVBAGLBSA-N 1 0 281.326 2.987 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226131140 777444671 /nfs/dbraw/zinc/44/46/71/777444671.db2.gz BWAFRQMLCOTASL-LLVKDONJSA-N 1 0 299.758 2.895 20 5 CFBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217858 777479100 /nfs/dbraw/zinc/47/91/00/777479100.db2.gz AIRVWMGKTFHLNW-WBMJQRKESA-N 1 0 293.370 2.738 20 5 CFBDRO c1cnc2c(c1)ccc1ccc(CN3C[C@@H]4C[C@H]3CO4)nc12 ZINC001232223458 777480982 /nfs/dbraw/zinc/48/09/82/777480982.db2.gz NBDYWHGKQBCPPA-HOTGVXAUSA-N 1 0 291.354 2.756 20 5 CFBDRO c1cnc2c(c1)ccc1ccc(CN3C[C@H]4C[C@@H](C3)O4)nc12 ZINC001232221759 777481103 /nfs/dbraw/zinc/48/11/03/777481103.db2.gz DQGDMYMARNRTEF-IYBDPMFKSA-N 1 0 291.354 2.756 20 5 CFBDRO CN(Cc1ccc2ccc3cccnc3c2n1)C1COC1 ZINC001232223509 777481158 /nfs/dbraw/zinc/48/11/58/777481158.db2.gz OWHWLPUJXIJWIW-UHFFFAOYSA-N 1 0 279.343 2.614 20 5 CFBDRO CC[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168000131 777550491 /nfs/dbraw/zinc/55/04/91/777550491.db2.gz NSMHXDIVEMGSRH-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1OCC1CC1 ZINC001233507846 777974411 /nfs/dbraw/zinc/97/44/11/777974411.db2.gz KLBFVTXWDBZLOO-ZDUSSCGKSA-N 1 0 264.389 2.949 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018222 777997356 /nfs/dbraw/zinc/99/73/56/777997356.db2.gz XENXMHLKPBIVGB-VIFPVBQESA-N 1 0 285.731 2.506 20 5 CFBDRO Cc1cccc(OC[C@H]2CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC000697085074 778048727 /nfs/dbraw/zinc/04/87/27/778048727.db2.gz NADQMLUVFYJVBH-LBPRGKRZSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233753066 778064036 /nfs/dbraw/zinc/06/40/36/778064036.db2.gz JNFVQAPIDSPSET-VIFPVBQESA-N 1 0 286.278 2.736 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233753065 778064320 /nfs/dbraw/zinc/06/43/20/778064320.db2.gz JNFVQAPIDSPSET-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233751561 778064589 /nfs/dbraw/zinc/06/45/89/778064589.db2.gz URHTYDHNPNCFTF-SECBINFHSA-N 1 0 286.278 2.736 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835863 778090583 /nfs/dbraw/zinc/09/05/83/778090583.db2.gz FEBCJXRIKRXURT-LBPRGKRZSA-N 1 0 287.319 2.616 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2ccsc21 ZINC001233876829 778102843 /nfs/dbraw/zinc/10/28/43/778102843.db2.gz POJFJZKIPUYHDR-QMMMGPOBSA-N 1 0 286.808 2.818 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228755630 778193257 /nfs/dbraw/zinc/19/32/57/778193257.db2.gz KKZVIOGSMOKQMU-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(CO)CCCC1 ZINC000160146534 778594379 /nfs/dbraw/zinc/59/43/79/778594379.db2.gz XSAFGBYYCZNTDE-UHFFFAOYSA-N 1 0 298.770 2.891 20 5 CFBDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000160148546 778595117 /nfs/dbraw/zinc/59/51/17/778595117.db2.gz QEYIUROCBZNQNC-BXUZGUMPSA-N 1 0 298.408 2.750 20 5 CFBDRO CCSCC[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000160148445 778595564 /nfs/dbraw/zinc/59/55/64/778595564.db2.gz QEYIUROCBZNQNC-FZMZJTMJSA-N 1 0 298.408 2.750 20 5 CFBDRO CCCCOC[C@H](C)OC[C@H](C)OCCC[N+](C)(C)C ZINC001224621044 778603229 /nfs/dbraw/zinc/60/32/29/778603229.db2.gz JIAMVXSCDOEDJD-HOTGVXAUSA-N 1 0 290.468 2.710 20 5 CFBDRO COc1ccc([C@@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224620792 778603408 /nfs/dbraw/zinc/60/34/08/778603408.db2.gz BTYFKEZTUVUJTB-CYBMUJFWSA-N 1 0 252.378 2.869 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698634685 778964834 /nfs/dbraw/zinc/96/48/34/778964834.db2.gz GVCDGFFZCVDFAZ-RNCFNFMXSA-N 1 0 288.294 2.570 20 5 CFBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351925195 780595984 /nfs/dbraw/zinc/59/59/84/780595984.db2.gz KNHOBQDPTWJRAE-OAHLLOKOSA-N 1 0 296.342 2.574 20 5 CFBDRO Cc1c(C)c(N[C@@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337919 780773861 /nfs/dbraw/zinc/77/38/61/780773861.db2.gz WESBILZYJKAJRQ-AWEZNQCLSA-N 1 0 278.356 2.503 20 5 CFBDRO CC1([NH3+])CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000704581361 781107350 /nfs/dbraw/zinc/10/73/50/781107350.db2.gz NFSOEFMPVHTJIU-UHFFFAOYSA-N 1 0 269.732 2.566 20 5 CFBDRO Cc1c(C[NH2+]C[C@@H]2CC(C)(C)CO2)cccc1[N+](=O)[O-] ZINC000708356441 781270660 /nfs/dbraw/zinc/27/06/60/781270660.db2.gz UPMHGGFDPORDCD-ZDUSSCGKSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000711001177 781352962 /nfs/dbraw/zinc/35/29/62/781352962.db2.gz QMPKMJDLQRKBTH-BPNCWPANSA-N 1 0 264.325 2.670 20 5 CFBDRO CC(C)N(c1nccc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001163187413 781396389 /nfs/dbraw/zinc/39/63/89/781396389.db2.gz YLIBDXZCMWFAJD-UHFFFAOYSA-N 1 0 286.763 2.595 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CF)C2)c(F)c1 ZINC000711475570 781442290 /nfs/dbraw/zinc/44/22/90/781442290.db2.gz JHCVIPMCCKETBJ-VIFPVBQESA-N 1 0 256.252 2.525 20 5 CFBDRO CN1CCc2c(NC3(C)CCC3)ccc([N+](=O)[O-])c2C1 ZINC001164031385 781637908 /nfs/dbraw/zinc/63/79/08/781637908.db2.gz ARSORKJAKFNBDK-UHFFFAOYSA-N 1 0 275.352 2.937 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(C)c(C)c([N+](=O)[O-])c2)C1 ZINC001230471514 781858136 /nfs/dbraw/zinc/85/81/36/781858136.db2.gz JGFRWGMLPDQBNK-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC001231061955 781900327 /nfs/dbraw/zinc/90/03/27/781900327.db2.gz WNBOPYCEEYWLAR-GFCCVEGCSA-N 1 0 264.325 2.685 20 5 CFBDRO COCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000594514540 349437617 /nfs/dbraw/zinc/43/76/17/349437617.db2.gz KQUMMMSOIAFJBD-GQCTYLIASA-N 1 0 276.336 2.624 20 5 CFBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000594594208 349454802 /nfs/dbraw/zinc/45/48/02/349454802.db2.gz LVVSYJVFXGPQDK-UHFFFAOYSA-N 1 0 292.383 2.609 20 5 CFBDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594720308 349480621 /nfs/dbraw/zinc/48/06/21/349480621.db2.gz HVGARRNKKZGTMM-CABZTGNLSA-N 1 0 286.278 2.670 20 5 CFBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594931223 349514759 /nfs/dbraw/zinc/51/47/59/349514759.db2.gz LXJYVHMGHHUUAZ-CHWSQXEVSA-N 1 0 280.372 2.740 20 5 CFBDRO Cc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000273060286 192033438 /nfs/dbraw/zinc/03/34/38/192033438.db2.gz YIRAGPOENKZYLC-GFCCVEGCSA-N 1 0 275.352 2.966 20 5 CFBDRO COc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000594950036 349525502 /nfs/dbraw/zinc/52/55/02/349525502.db2.gz HDRZTMXGWHYISO-FZMZJTMJSA-N 1 0 262.309 2.636 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000594959222 349529494 /nfs/dbraw/zinc/52/94/94/349529494.db2.gz AXNDANYOFZIBHF-LBPRGKRZSA-N 1 0 264.325 2.560 20 5 CFBDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594959301 349529068 /nfs/dbraw/zinc/52/90/68/349529068.db2.gz BGHHOFIXAUPOMV-AWEZNQCLSA-N 1 0 277.368 2.557 20 5 CFBDRO CC(C)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594972477 349536044 /nfs/dbraw/zinc/53/60/44/349536044.db2.gz GKTNTCCTZHMLPT-UHFFFAOYSA-N 1 0 258.268 2.962 20 5 CFBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000594983560 349539241 /nfs/dbraw/zinc/53/92/41/349539241.db2.gz FKIHJHVPYCFTLO-MWLCHTKSSA-N 1 0 270.354 2.704 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000594993025 349540920 /nfs/dbraw/zinc/54/09/20/349540920.db2.gz BTWKBYNLRMNHJL-HNNXBMFYSA-N 1 0 278.352 2.890 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000595008071 349545984 /nfs/dbraw/zinc/54/59/84/349545984.db2.gz PIQWGEXAJPALCQ-SMDDNHRTSA-N 1 0 286.335 2.977 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)[NH+](C)C ZINC000595006628 349546005 /nfs/dbraw/zinc/54/60/05/349546005.db2.gz MFQXNPXATLIICM-NSHDSACASA-N 1 0 295.383 2.594 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)C ZINC000595006985 349546279 /nfs/dbraw/zinc/54/62/79/349546279.db2.gz NSKNFISOITUZDY-JTQLQIEISA-N 1 0 252.314 2.910 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000595022242 349552854 /nfs/dbraw/zinc/55/28/54/349552854.db2.gz SKYBOZICEXPHDN-ABAIWWIYSA-N 1 0 294.351 2.823 20 5 CFBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000594995185 349542155 /nfs/dbraw/zinc/54/21/55/349542155.db2.gz QEAHMUHPYONQPA-OAHLLOKOSA-N 1 0 278.352 2.890 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000595005788 349544914 /nfs/dbraw/zinc/54/49/14/349544914.db2.gz GHSRHJJVVMIJAT-AAEUAGOBSA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000595005790 349545483 /nfs/dbraw/zinc/54/54/83/349545483.db2.gz GHSRHJJVVMIJAT-WCQYABFASA-N 1 0 294.351 2.823 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000595048831 349563998 /nfs/dbraw/zinc/56/39/98/349563998.db2.gz BXHRMGIWHIVWRB-HZMBPMFUSA-N 1 0 294.351 2.679 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000595054173 349566579 /nfs/dbraw/zinc/56/65/79/349566579.db2.gz YQPSPKKUHYITFK-GMXVVIOVSA-N 1 0 294.351 2.822 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000595054175 349566661 /nfs/dbraw/zinc/56/66/61/349566661.db2.gz YQPSPKKUHYITFK-MDZLAQPJSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595057478 349569733 /nfs/dbraw/zinc/56/97/33/349569733.db2.gz XNWWKUCSQLJIHV-RISCZKNCSA-N 1 0 278.352 2.715 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000595066253 349572473 /nfs/dbraw/zinc/57/24/73/349572473.db2.gz HBZRMHGCXLYWDA-QWHCGFSZSA-N 1 0 292.379 2.667 20 5 CFBDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595038178 349559271 /nfs/dbraw/zinc/55/92/71/349559271.db2.gz KHSCTQIRLLQLMU-LLVKDONJSA-N 1 0 296.367 2.927 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)(C)O ZINC000595038427 349560214 /nfs/dbraw/zinc/56/02/14/349560214.db2.gz NUFGPXGESPHYCE-IINYFYTJSA-N 1 0 296.367 2.804 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000595039758 349560292 /nfs/dbraw/zinc/56/02/92/349560292.db2.gz CERRCQRAIWGFNG-QWRGUYRKSA-N 1 0 296.367 2.804 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595070843 349574368 /nfs/dbraw/zinc/57/43/68/349574368.db2.gz ZUNGKXGGRCORDD-KCQAQPDRSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595309421 349599141 /nfs/dbraw/zinc/59/91/41/349599141.db2.gz SGCJPMUOLITUME-LLVKDONJSA-N 1 0 265.313 2.656 20 5 CFBDRO Cc1noc(C[N@H+]2CC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595330414 349603528 /nfs/dbraw/zinc/60/35/28/349603528.db2.gz AUZVGJKCTISCJJ-LLVKDONJSA-N 1 0 267.329 2.759 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595294382 349593993 /nfs/dbraw/zinc/59/39/93/349593993.db2.gz LXDPKBSDGLKEBX-JTQLQIEISA-N 1 0 253.302 2.512 20 5 CFBDRO CS[C@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595388821 349614375 /nfs/dbraw/zinc/61/43/75/349614375.db2.gz XJMQPPJIKXGZPW-JTQLQIEISA-N 1 0 285.369 2.609 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000595413273 349618880 /nfs/dbraw/zinc/61/88/80/349618880.db2.gz YWRYGWRZNLOBTM-NSHDSACASA-N 1 0 264.300 2.966 20 5 CFBDRO C[C@@H](CCNc1ncccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273101950 192043453 /nfs/dbraw/zinc/04/34/53/192043453.db2.gz FGJCVNAVSCKGAL-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595424129 349621712 /nfs/dbraw/zinc/62/17/12/349621712.db2.gz FPSRMTBWDYCLIJ-DLOVCJGASA-N 1 0 279.340 2.902 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000595430127 349624245 /nfs/dbraw/zinc/62/42/45/349624245.db2.gz KTKBLLYHQYDTBX-AWEZNQCLSA-N 1 0 296.342 2.765 20 5 CFBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595454362 349632060 /nfs/dbraw/zinc/63/20/60/349632060.db2.gz KHKUYCQTBOFJLO-UWVGGRQHSA-N 1 0 253.302 2.560 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595476787 349638484 /nfs/dbraw/zinc/63/84/84/349638484.db2.gz PQWWHLAKKHSVRE-UHFFFAOYSA-N 1 0 284.331 2.765 20 5 CFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595520838 349650218 /nfs/dbraw/zinc/65/02/18/349650218.db2.gz ODTJUWHZEVJBMC-CYBMUJFWSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1noc(C[N@@H+]2[C@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000595521311 349650387 /nfs/dbraw/zinc/65/03/87/349650387.db2.gz APKAHDUHZZMBIA-MRVPVSSYSA-N 1 0 253.302 2.654 20 5 CFBDRO Cc1noc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595504671 349644113 /nfs/dbraw/zinc/64/41/13/349644113.db2.gz GHTFDKPETIOBDZ-MNOVXSKESA-N 1 0 279.340 2.902 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595510857 349646341 /nfs/dbraw/zinc/64/63/41/349646341.db2.gz DIKHPGRDMOCTOW-QCZZGDTMSA-N 1 0 296.342 2.883 20 5 CFBDRO CCC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCC1 ZINC000595535289 349652956 /nfs/dbraw/zinc/65/29/56/349652956.db2.gz WMYKBJKOLUDRNF-NSHDSACASA-N 1 0 267.329 2.950 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000595545877 349656517 /nfs/dbraw/zinc/65/65/17/349656517.db2.gz KVJOQZWMBUDWBG-LBPRGKRZSA-N 1 0 296.342 2.718 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595593751 349668142 /nfs/dbraw/zinc/66/81/42/349668142.db2.gz UMMMGTVDZKHKIW-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595593485 349668157 /nfs/dbraw/zinc/66/81/57/349668157.db2.gz QKYADLWNXUUDCW-GFCCVEGCSA-N 1 0 293.367 2.962 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595565125 349661582 /nfs/dbraw/zinc/66/15/82/349661582.db2.gz BKOFHQCHWIHEPE-WFASDCNBSA-N 1 0 276.336 2.848 20 5 CFBDRO C[C@]1(C2CC2)CN(Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000595619017 349678777 /nfs/dbraw/zinc/67/87/77/349678777.db2.gz YHCHBCREXBRFGD-CYBMUJFWSA-N 1 0 282.365 2.657 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679745 349697934 /nfs/dbraw/zinc/69/79/34/349697934.db2.gz XNNGAZZDUZFDKU-ABAIWWIYSA-N 1 0 296.342 2.717 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070326824 346909862 /nfs/dbraw/zinc/90/98/62/346909862.db2.gz BURCFMUJMBNGJL-HIFRSBDPSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359534 346909888 /nfs/dbraw/zinc/90/98/88/346909888.db2.gz VWTKBCWHIQGQMI-UKRRQHHQSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCCF)CCCC2 ZINC000596096699 349793763 /nfs/dbraw/zinc/79/37/63/349793763.db2.gz XITSHVIKOOSFCV-OAHLLOKOSA-N 1 0 296.342 2.938 20 5 CFBDRO Cc1cc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596110145 349796472 /nfs/dbraw/zinc/79/64/72/349796472.db2.gz MMOKOZOWMLHNSQ-UHFFFAOYSA-N 1 0 257.359 2.717 20 5 CFBDRO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596110118 349796645 /nfs/dbraw/zinc/79/66/45/349796645.db2.gz JBPPZCLOABGDGE-MRVPVSSYSA-N 1 0 269.370 2.859 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000072632841 346933151 /nfs/dbraw/zinc/93/31/51/346933151.db2.gz FGZVCYRYRVILRX-LLVKDONJSA-N 1 0 293.367 2.866 20 5 CFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141687 349806269 /nfs/dbraw/zinc/80/62/69/349806269.db2.gz JGACYMCAKLZVJY-NSHDSACASA-N 1 0 283.397 2.743 20 5 CFBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596243929 349838889 /nfs/dbraw/zinc/83/88/89/349838889.db2.gz MNQPNIGRHRZVPT-PWSUYJOCSA-N 1 0 281.331 2.571 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596309350 349858944 /nfs/dbraw/zinc/85/89/44/349858944.db2.gz ZHQYGHLRLZWJCP-SECBINFHSA-N 1 0 296.346 2.601 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000596307812 349858983 /nfs/dbraw/zinc/85/89/83/349858983.db2.gz PFSKXKCPPYJWBN-LLVKDONJSA-N 1 0 278.356 2.522 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1 ZINC000596309281 349859245 /nfs/dbraw/zinc/85/92/45/349859245.db2.gz XMCYOFKPZOTIEM-LBPRGKRZSA-N 1 0 292.383 2.891 20 5 CFBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596307348 349857785 /nfs/dbraw/zinc/85/77/85/349857785.db2.gz KXEVFMHYCFRDFQ-NSHDSACASA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000596337629 349868918 /nfs/dbraw/zinc/86/89/18/349868918.db2.gz YWSOHFJISJGHHV-GFCCVEGCSA-N 1 0 292.383 2.891 20 5 CFBDRO Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074739156 347029648 /nfs/dbraw/zinc/02/96/48/347029648.db2.gz BHABWIOWVFGMCA-GFCCVEGCSA-N 1 0 280.372 2.686 20 5 CFBDRO C[NH2+]CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414822428 529978334 /nfs/dbraw/zinc/97/83/34/529978334.db2.gz GTFGKGPILVDHPC-UHFFFAOYSA-N 1 0 291.376 2.632 20 5 CFBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000413450794 530054987 /nfs/dbraw/zinc/05/49/87/530054987.db2.gz ZBQXIWSOPZIGJB-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916119 346335810 /nfs/dbraw/zinc/33/58/10/346335810.db2.gz GXUMFSXYMCVMSA-HIFRSBDPSA-N 1 0 289.379 2.559 20 5 CFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000048400659 346473466 /nfs/dbraw/zinc/47/34/66/346473466.db2.gz MGWVNNKQUSXYON-CQSZACIVSA-N 1 0 292.335 2.512 20 5 CFBDRO CCC[C@@H](N[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596653398 349969339 /nfs/dbraw/zinc/96/93/39/349969339.db2.gz KIJAJYRUTSAHRQ-BXUZGUMPSA-N 1 0 265.357 2.634 20 5 CFBDRO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000056494899 346609245 /nfs/dbraw/zinc/60/92/45/346609245.db2.gz HPXGJMIBYXJNMF-SNVBAGLBSA-N 1 0 270.354 2.515 20 5 CFBDRO C[C@H]1CCC[N@H+](CCCCNc2ccncc2[N+](=O)[O-])C1 ZINC000066809064 346780884 /nfs/dbraw/zinc/78/08/84/346780884.db2.gz IFFLETLHZZJMHS-ZDUSSCGKSA-N 1 0 292.383 2.914 20 5 CFBDRO CC(C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065962576 346745097 /nfs/dbraw/zinc/74/50/97/346745097.db2.gz PZGRUEHDDUTYMS-UHFFFAOYSA-N 1 0 280.324 2.549 20 5 CFBDRO C[C@@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076112992 347122630 /nfs/dbraw/zinc/12/26/30/347122630.db2.gz IVCBFDQFGVMUFT-VXGBXAGGSA-N 1 0 264.325 2.561 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000076111949 347122730 /nfs/dbraw/zinc/12/27/30/347122730.db2.gz VXENTNOWSDOWKR-QWRGUYRKSA-N 1 0 264.325 2.691 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000078455072 347253464 /nfs/dbraw/zinc/25/34/64/347253464.db2.gz NTYXHCQWPYBCNF-CYBMUJFWSA-N 1 0 292.383 2.609 20 5 CFBDRO Cc1ccnc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000078455472 347253552 /nfs/dbraw/zinc/25/35/52/347253552.db2.gz SFDXYZHJCLNWCM-ZDUSSCGKSA-N 1 0 292.383 2.609 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000085963113 179204950 /nfs/dbraw/zinc/20/49/50/179204950.db2.gz WVJAUFRSQTZWPT-IINYFYTJSA-N 1 0 298.770 2.889 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc1 ZINC000078526469 347259874 /nfs/dbraw/zinc/25/98/74/347259874.db2.gz JDBMKNJMABHIFN-ZDUSSCGKSA-N 1 0 290.367 2.666 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605453 347368549 /nfs/dbraw/zinc/36/85/49/347368549.db2.gz REONFIBQIWJMHQ-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1COC ZINC000080601644 347368784 /nfs/dbraw/zinc/36/87/84/347368784.db2.gz BUSDIIYSUJQBDJ-LBPRGKRZSA-N 1 0 295.383 2.883 20 5 CFBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000081521488 347424190 /nfs/dbraw/zinc/42/41/90/347424190.db2.gz IMJZJPUPRKLAJF-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CC[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170419 347449393 /nfs/dbraw/zinc/44/93/93/347449393.db2.gz RSIQKAFDZIEEBC-SECBINFHSA-N 1 0 263.297 2.966 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000085962532 347482943 /nfs/dbraw/zinc/48/29/43/347482943.db2.gz VERUWCKBIPPBTB-HUBLWGQQSA-N 1 0 278.352 2.797 20 5 CFBDRO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000086682762 347488372 /nfs/dbraw/zinc/48/83/72/347488372.db2.gz KSSFPFCUMNKOJT-ZDUSSCGKSA-N 1 0 266.341 2.664 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)c1 ZINC000088701404 347507022 /nfs/dbraw/zinc/50/70/22/347507022.db2.gz MUGWRXYZJXAPOS-UHFFFAOYSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000090910160 347562856 /nfs/dbraw/zinc/56/28/56/347562856.db2.gz AYJJGYLGRMHZRP-OAHLLOKOSA-N 1 0 288.351 2.612 20 5 CFBDRO CC(C)c1ccc(CN2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092454982 347625979 /nfs/dbraw/zinc/62/59/79/347625979.db2.gz LWAKTURWSAYZLD-LBPRGKRZSA-N 1 0 277.368 2.512 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656998 347637683 /nfs/dbraw/zinc/63/76/83/347637683.db2.gz LYIJZQHYKFYEJH-TZMCWYRMSA-N 1 0 277.368 2.822 20 5 CFBDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094086271 347690579 /nfs/dbraw/zinc/69/05/79/347690579.db2.gz XOYDDPMVEFWNSK-MRXNPFEDSA-N 1 0 283.331 2.954 20 5 CFBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000094088773 347690865 /nfs/dbraw/zinc/69/08/65/347690865.db2.gz MAWUDUGUKNFDEB-INIZCTEOSA-N 1 0 283.331 2.954 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(CO)CCCCC1 ZINC000094512605 347695622 /nfs/dbraw/zinc/69/56/22/347695622.db2.gz MAWYSVNYSDTVML-UHFFFAOYSA-N 1 0 278.352 2.627 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000093414588 347673031 /nfs/dbraw/zinc/67/30/31/347673031.db2.gz KQOXHEMUKNDTBM-UHFFFAOYSA-N 1 0 280.368 2.921 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1 ZINC000120465495 347807191 /nfs/dbraw/zinc/80/71/91/347807191.db2.gz WQEQXDDVECRQET-UHFFFAOYSA-N 1 0 276.267 2.729 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC=CC1 ZINC000122039013 347813865 /nfs/dbraw/zinc/81/38/65/347813865.db2.gz VJPGSRDCPWLSJG-LLVKDONJSA-N 1 0 289.335 2.620 20 5 CFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000131908447 347881673 /nfs/dbraw/zinc/88/16/73/347881673.db2.gz OMVLSLQFJYHPDN-KOLCDFICSA-N 1 0 283.759 2.560 20 5 CFBDRO C[C@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000135181141 347905142 /nfs/dbraw/zinc/90/51/42/347905142.db2.gz IVLCAHYCRCKQHM-NWDGAFQWSA-N 1 0 264.325 2.752 20 5 CFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC[NH+]1CCCCC1 ZINC000136138109 347909183 /nfs/dbraw/zinc/90/91/83/347909183.db2.gz ZCKBPLGDGLMYGJ-UHFFFAOYSA-N 1 0 291.395 2.555 20 5 CFBDRO CC[NH+](CC)CCSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000213994635 348160708 /nfs/dbraw/zinc/16/07/08/348160708.db2.gz ZIXIGSWNGIVTBE-UHFFFAOYSA-N 1 0 294.380 2.905 20 5 CFBDRO CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251767287 348293729 /nfs/dbraw/zinc/29/37/29/348293729.db2.gz MGFFCLKHGFGCJD-OUCADQQQSA-N 1 0 277.368 2.715 20 5 CFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000278879552 348339723 /nfs/dbraw/zinc/33/97/23/348339723.db2.gz ZJYLUIFMZINRRF-ZIAGYGMSSA-N 1 0 282.315 2.781 20 5 CFBDRO CC1CC[NH+](CCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000312325890 348417904 /nfs/dbraw/zinc/41/79/04/348417904.db2.gz CWJDWPJKMSPMMM-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000273360247 192125823 /nfs/dbraw/zinc/12/58/23/192125823.db2.gz DBPJWXSRIYXJMV-STQMWFEESA-N 1 0 278.352 2.808 20 5 CFBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000314874359 348427843 /nfs/dbraw/zinc/42/78/43/348427843.db2.gz KVBADCCVPKDYGK-LLVKDONJSA-N 1 0 293.342 2.939 20 5 CFBDRO C[NH+](C)CC(C)(C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000413370308 233061719 /nfs/dbraw/zinc/06/17/19/233061719.db2.gz VWDKQVFPILIIRY-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000273943695 192372511 /nfs/dbraw/zinc/37/25/11/192372511.db2.gz DPOBFCLRGSYCKQ-ZYHUDNBSSA-N 1 0 294.351 2.581 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](O)C1CC1 ZINC000589198185 348818803 /nfs/dbraw/zinc/81/88/03/348818803.db2.gz PVMJKHZYRUCYKH-LJEUOOAZSA-N 1 0 290.363 2.701 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000589198184 348818945 /nfs/dbraw/zinc/81/89/45/348818945.db2.gz PVMJKHZYRUCYKH-IYCSXQJISA-N 1 0 290.363 2.701 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000589501683 348836006 /nfs/dbraw/zinc/83/60/06/348836006.db2.gz AWKFDORQDZXAHN-WDEREUQCSA-N 1 0 292.335 2.612 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CF ZINC000588930595 348804960 /nfs/dbraw/zinc/80/49/60/348804960.db2.gz OFSIYFSLNPBAMR-RUYJGKKWSA-N 1 0 252.289 2.946 20 5 CFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590752862 348942748 /nfs/dbraw/zinc/94/27/48/348942748.db2.gz ACLLLCPOMQMIKO-GDLCADMTSA-N 1 0 292.335 2.587 20 5 CFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590568754 348909752 /nfs/dbraw/zinc/90/97/52/348909752.db2.gz KOBKEUNHCIZJLS-GXSJLCMTSA-N 1 0 283.759 2.777 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000590594149 348912176 /nfs/dbraw/zinc/91/21/76/348912176.db2.gz BESRAFOQJYBLKO-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000590646896 348920102 /nfs/dbraw/zinc/92/01/02/348920102.db2.gz VBCCJAAVXPCIJT-UONOGXRCSA-N 1 0 278.352 2.685 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000590647195 348920276 /nfs/dbraw/zinc/92/02/76/348920276.db2.gz MMTMLOROIVKVOD-DZGCQCFKSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000591266026 349005504 /nfs/dbraw/zinc/00/55/04/349005504.db2.gz OGNXQRZYQYANIO-PSASIEDQSA-N 1 0 256.252 2.728 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1 ZINC000591275636 349006142 /nfs/dbraw/zinc/00/61/42/349006142.db2.gz NSLQQEMVQUVTBG-DZGCQCFKSA-N 1 0 291.395 2.648 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000591444746 349022775 /nfs/dbraw/zinc/02/27/75/349022775.db2.gz LKVMYSJOHBOYAE-VXGBXAGGSA-N 1 0 293.342 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CC[NH2+]2)CC1 ZINC000591563284 349029979 /nfs/dbraw/zinc/02/99/79/349029979.db2.gz CKTPKWIMNMRJKU-ZDUSSCGKSA-N 1 0 289.379 2.792 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CCCC[NH2+]1)CCC2 ZINC000591578037 349032122 /nfs/dbraw/zinc/03/21/22/349032122.db2.gz OYADWUIBLFHVQD-CJNGLKHVSA-N 1 0 289.379 2.704 20 5 CFBDRO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582661 349032474 /nfs/dbraw/zinc/03/24/74/349032474.db2.gz SRBHKPSBYIQQBI-GXTWGEPZSA-N 1 0 289.379 2.920 20 5 CFBDRO CC[N@H+](CCSC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000592197407 349097711 /nfs/dbraw/zinc/09/77/11/349097711.db2.gz BZTFBQXDBFARQN-UHFFFAOYSA-N 1 0 284.381 2.788 20 5 CFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCSC ZINC000592204868 349100822 /nfs/dbraw/zinc/10/08/22/349100822.db2.gz VKTXNGGUMBZKTR-UHFFFAOYSA-N 1 0 284.381 2.659 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000592366882 349110600 /nfs/dbraw/zinc/11/06/00/349110600.db2.gz FRKCKVPBHUCWDO-BXKDBHETSA-N 1 0 284.743 2.558 20 5 CFBDRO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592520357 349131793 /nfs/dbraw/zinc/13/17/93/349131793.db2.gz LJSNDRMABSHSRH-OAHLLOKOSA-N 1 0 291.395 2.819 20 5 CFBDRO C[N@H+](CCNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000593456869 349274815 /nfs/dbraw/zinc/27/48/15/349274815.db2.gz HXINPJUBHAUXNU-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CC(C)C[N@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000593646948 349304286 /nfs/dbraw/zinc/30/42/86/349304286.db2.gz UPOFGKWNKLHIKN-UHFFFAOYSA-N 1 0 279.384 2.662 20 5 CFBDRO C[C@@H](COCC1CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000593682170 349309284 /nfs/dbraw/zinc/30/92/84/349309284.db2.gz PLJGGFNUNDMFPD-VIFPVBQESA-N 1 0 270.354 2.561 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719053 349314701 /nfs/dbraw/zinc/31/47/01/349314701.db2.gz UKSDXGSPXCJAOE-TZMCWYRMSA-N 1 0 284.331 2.746 20 5 CFBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)SC2)cc1[N+](=O)[O-] ZINC000594493755 349429158 /nfs/dbraw/zinc/42/91/58/349429158.db2.gz RGQRPQHBCKXEAU-JQWIXIFHSA-N 1 0 296.392 2.977 20 5 CFBDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495808 349430302 /nfs/dbraw/zinc/43/03/02/349430302.db2.gz SPBUHKZQJYFZJO-FZMZJTMJSA-N 1 0 292.379 2.969 20 5 CFBDRO CN(C)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594500347 349432402 /nfs/dbraw/zinc/43/24/02/349432402.db2.gz PDPNNVWXZMFSQX-AWEZNQCLSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597048559 350020543 /nfs/dbraw/zinc/02/05/43/350020543.db2.gz WUKKKURICMJEMU-ZBINZKHDSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000597079380 350025659 /nfs/dbraw/zinc/02/56/59/350025659.db2.gz RZSQAWPIKPWDDI-ITDIGPHOSA-N 1 0 276.336 2.813 20 5 CFBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000597234837 350066396 /nfs/dbraw/zinc/06/63/96/350066396.db2.gz BVTCFAXWPLZEJP-CVYKPKQLSA-N 1 0 290.363 2.558 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000414498071 233271444 /nfs/dbraw/zinc/27/14/44/233271444.db2.gz HEOFYVLTTIGWEX-ZYHUDNBSSA-N 1 0 296.392 2.977 20 5 CFBDRO Cc1cnc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000090692179 180024318 /nfs/dbraw/zinc/02/43/18/180024318.db2.gz YODNKVKOBWTIFF-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414596487 233300453 /nfs/dbraw/zinc/30/04/53/233300453.db2.gz UPVJCZAROVVPRI-VXGBXAGGSA-N 1 0 288.303 2.842 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000414598456 233300654 /nfs/dbraw/zinc/30/06/54/233300654.db2.gz YICMEGLXYWCQHM-CHWSQXEVSA-N 1 0 258.277 2.834 20 5 CFBDRO CC[C@H]([NH2+]CCSC)c1cccc([N+](=O)[O-])c1 ZINC000069431007 522597816 /nfs/dbraw/zinc/59/78/16/522597816.db2.gz NDGJBPJHNNBGIW-LBPRGKRZSA-N 1 0 254.355 2.999 20 5 CFBDRO CCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104673777 186012347 /nfs/dbraw/zinc/01/23/47/186012347.db2.gz ABZHLYLUGNRTNT-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCCC3)o2)c1 ZINC000104661222 186012622 /nfs/dbraw/zinc/01/26/22/186012622.db2.gz WGZQYUURIMUXJQ-UHFFFAOYSA-N 1 0 287.319 2.888 20 5 CFBDRO C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C1CC1 ZINC000105488300 186061103 /nfs/dbraw/zinc/06/11/03/186061103.db2.gz BXKPZKKDMAUWBD-SNVBAGLBSA-N 1 0 297.786 2.821 20 5 CFBDRO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414808291 233360381 /nfs/dbraw/zinc/36/03/81/233360381.db2.gz SCWWRMNZEBZEGX-QMTHXVAHSA-N 1 0 297.786 2.855 20 5 CFBDRO C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]C1 ZINC000414904380 233394452 /nfs/dbraw/zinc/39/44/52/233394452.db2.gz JVVYBUCTVSFPCF-CQSZACIVSA-N 1 0 297.786 2.728 20 5 CFBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959914 180292460 /nfs/dbraw/zinc/29/24/60/180292460.db2.gz QTEYNMBNUPVINV-MBNYWOFBSA-N 1 0 277.368 2.728 20 5 CFBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598717310 350316626 /nfs/dbraw/zinc/31/66/26/350316626.db2.gz DRYPZSGTLZVNFH-BXUZGUMPSA-N 1 0 295.770 2.561 20 5 CFBDRO Cc1cccc2c1C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CO2 ZINC000598985985 350354186 /nfs/dbraw/zinc/35/41/86/350354186.db2.gz CICIQJXGOBKHBZ-CQSZACIVSA-N 1 0 298.342 2.997 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC=CC2)c(F)c1 ZINC000598993093 350356825 /nfs/dbraw/zinc/35/68/25/350356825.db2.gz QYXJIIKAUKMKQJ-UHFFFAOYSA-N 1 0 250.273 2.790 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599007622 350357994 /nfs/dbraw/zinc/35/79/94/350357994.db2.gz RFSSTFCKEUABSH-FMXQPZMBSA-N 1 0 288.347 2.765 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2COC2)o1 ZINC000599011799 350358884 /nfs/dbraw/zinc/35/88/84/350358884.db2.gz LTMYCQZRACHNSV-UHFFFAOYSA-N 1 0 288.303 2.591 20 5 CFBDRO O=[N+]([O-])c1c(N[C@@H]2CCCOC2)ccc2cnccc21 ZINC000599039002 350363075 /nfs/dbraw/zinc/36/30/75/350363075.db2.gz FXVABOMOBWUZPV-LLVKDONJSA-N 1 0 273.292 2.734 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599068365 350370185 /nfs/dbraw/zinc/37/01/85/350370185.db2.gz NYWAUVFPOYMKOA-IUODEOHRSA-N 1 0 292.379 2.969 20 5 CFBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599072983 350371040 /nfs/dbraw/zinc/37/10/40/350371040.db2.gz NDDIMGMXUCYPCH-VQISRLSMSA-N 1 0 294.351 2.822 20 5 CFBDRO O=[N+]([O-])c1c(NCCCCCO)ccc2cnccc21 ZINC000599076091 350371728 /nfs/dbraw/zinc/37/17/28/350371728.db2.gz BUMGPLYWJGWCSE-UHFFFAOYSA-N 1 0 275.308 2.718 20 5 CFBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599141004 350383693 /nfs/dbraw/zinc/38/36/93/350383693.db2.gz XNXNNPUXFPQWNR-NSHDSACASA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253554 180353050 /nfs/dbraw/zinc/35/30/50/180353050.db2.gz KANGDGJFIHQITL-OAHLLOKOSA-N 1 0 291.395 2.677 20 5 CFBDRO COCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000599506801 350447961 /nfs/dbraw/zinc/44/79/61/350447961.db2.gz IUYBUFNIULWZBJ-UHFFFAOYSA-N 1 0 278.352 2.843 20 5 CFBDRO COc1ccc(C[NH2+]CCCOCC2CC2)cc1[N+](=O)[O-] ZINC000106466049 186119973 /nfs/dbraw/zinc/11/99/73/186119973.db2.gz FSXFXCMKSYJFEY-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO CC[C@@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000600168642 350528360 /nfs/dbraw/zinc/52/83/60/350528360.db2.gz LLMSHZVEXBSPCX-FWPCIQOSSA-N 1 0 278.352 2.701 20 5 CFBDRO CCN(CC[NH3+])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600773287 350608516 /nfs/dbraw/zinc/60/85/16/350608516.db2.gz GAKYZDFMMGNGJW-UHFFFAOYSA-N 1 0 289.335 2.635 20 5 CFBDRO O=[N+]([O-])c1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000600784550 350611398 /nfs/dbraw/zinc/61/13/98/350611398.db2.gz MFJMNYJZNJMPGW-INIZCTEOSA-N 1 0 284.315 2.923 20 5 CFBDRO COc1cncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000601101882 350668154 /nfs/dbraw/zinc/66/81/54/350668154.db2.gz ZTMVMERRDVXZOK-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO CCCC[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105059 350669038 /nfs/dbraw/zinc/66/90/38/350669038.db2.gz SLHQQNMZZBWUGI-UHFFFAOYSA-N 1 0 296.346 2.805 20 5 CFBDRO CCOc1cc(NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000111050136 186348749 /nfs/dbraw/zinc/34/87/49/186348749.db2.gz YBMMDUDNLLNRPK-UHFFFAOYSA-N 1 0 293.367 2.891 20 5 CFBDRO C[C@@H](CCNc1ncc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000601142238 350680326 /nfs/dbraw/zinc/68/03/26/350680326.db2.gz OMJGVCGMLBPVJD-NSHDSACASA-N 1 0 296.346 2.805 20 5 CFBDRO CCOc1cc(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111048820 186347930 /nfs/dbraw/zinc/34/79/30/186347930.db2.gz DNKZABAUXOFNPC-UHFFFAOYSA-N 1 0 281.356 2.746 20 5 CFBDRO Cc1c(CN2CCCCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000601324513 350723685 /nfs/dbraw/zinc/72/36/85/350723685.db2.gz PGFSXBPQAMLQGF-AWEZNQCLSA-N 1 0 277.368 2.607 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC000601320360 350723851 /nfs/dbraw/zinc/72/38/51/350723851.db2.gz FWIKIWCAMGSNJD-RISCZKNCSA-N 1 0 286.335 2.977 20 5 CFBDRO Cc1ccc(CN2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000601327141 350724390 /nfs/dbraw/zinc/72/43/90/350724390.db2.gz RLPWHDSYMHIOGE-CQSZACIVSA-N 1 0 277.368 2.607 20 5 CFBDRO C[C@H](O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111287980 186391282 /nfs/dbraw/zinc/39/12/82/186391282.db2.gz UUXUAOPJAITXOD-RYUDHWBXSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602502668 350907408 /nfs/dbraw/zinc/90/74/08/350907408.db2.gz LSAPWTJARLTSSY-QMMMGPOBSA-N 1 0 261.281 2.624 20 5 CFBDRO CC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000602509871 350909365 /nfs/dbraw/zinc/90/93/65/350909365.db2.gz VLMHMEMPCUNQNQ-OAHLLOKOSA-N 1 0 291.395 2.601 20 5 CFBDRO Cc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000602511893 350910598 /nfs/dbraw/zinc/91/05/98/350910598.db2.gz SCRAKUUNZKYBLN-UHFFFAOYSA-N 1 0 274.320 2.871 20 5 CFBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602522775 350913766 /nfs/dbraw/zinc/91/37/66/350913766.db2.gz WTQGCFPBGOCIFT-SECBINFHSA-N 1 0 275.308 2.872 20 5 CFBDRO CSCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602551400 350921317 /nfs/dbraw/zinc/92/13/17/350921317.db2.gz JPFZVBWHXSAOQR-UHFFFAOYSA-N 1 0 281.337 2.579 20 5 CFBDRO Cc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602549129 350921427 /nfs/dbraw/zinc/92/14/27/350921427.db2.gz CAMJQEOBZSEDND-UHFFFAOYSA-N 1 0 285.347 2.673 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000602567757 350927409 /nfs/dbraw/zinc/92/74/09/350927409.db2.gz KWKUAHPUUFPAJR-XHSDSOJGSA-N 1 0 290.363 2.685 20 5 CFBDRO CO[C@@](C)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602581649 350933690 /nfs/dbraw/zinc/93/36/90/350933690.db2.gz YJUFGVXUIQXRNM-HNNXBMFYSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000602444266 350885985 /nfs/dbraw/zinc/88/59/85/350885985.db2.gz DOVPOPMQYLMRPN-KWCYVHTRSA-N 1 0 292.383 2.729 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2nccs2)cc1 ZINC000602593029 350938770 /nfs/dbraw/zinc/93/87/70/350938770.db2.gz GOYNSGUFENTSMU-UHFFFAOYSA-N 1 0 291.376 2.816 20 5 CFBDRO Cn1cc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])n1 ZINC000602469778 350894104 /nfs/dbraw/zinc/89/41/04/350894104.db2.gz DTQAMABDRNJOSC-HNNXBMFYSA-N 1 0 290.367 2.651 20 5 CFBDRO C[N@H+](CCC[C@@H]1CCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000602659743 350964728 /nfs/dbraw/zinc/96/47/28/350964728.db2.gz WDIVHEYLRXCWDV-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000602705337 350990303 /nfs/dbraw/zinc/99/03/03/350990303.db2.gz JMHRKILODANEHY-ZDUSSCGKSA-N 1 0 285.347 2.926 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CC3(F)F)nc2c1 ZINC000602716057 350996395 /nfs/dbraw/zinc/99/63/95/350996395.db2.gz RJCCYVVOZSXFAY-MRVPVSSYSA-N 1 0 297.261 2.871 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CC=CC3)nc2c1 ZINC000602720126 350998831 /nfs/dbraw/zinc/99/88/31/350998831.db2.gz IHDVKIVVJORICW-UHFFFAOYSA-N 1 0 273.292 2.792 20 5 CFBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000602739935 351009959 /nfs/dbraw/zinc/00/99/59/351009959.db2.gz NHNVITSXJVNHLY-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC1(F)F ZINC000602638005 350955960 /nfs/dbraw/zinc/95/59/60/350955960.db2.gz QCYOCUCHLPQPGI-VXNVDRBHSA-N 1 0 296.277 2.604 20 5 CFBDRO Cn1cc(C[N@@H+]2CCCC23CCCCC3)c([N+](=O)[O-])n1 ZINC000602798377 351029422 /nfs/dbraw/zinc/02/94/22/351029422.db2.gz ZCFKSYHOSDFYAW-UHFFFAOYSA-N 1 0 278.356 2.627 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000602800145 351030577 /nfs/dbraw/zinc/03/05/77/351030577.db2.gz JWJATPRZQWFWEF-LBPRGKRZSA-N 1 0 288.351 2.759 20 5 CFBDRO COc1cc(C[NH+]2CCC(SC)CC2)ccc1[N+](=O)[O-] ZINC000602921987 351067046 /nfs/dbraw/zinc/06/70/46/351067046.db2.gz CWNCKRGYIGVHNW-UHFFFAOYSA-N 1 0 296.392 2.931 20 5 CFBDRO C/C=C\C[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602915306 351064379 /nfs/dbraw/zinc/06/43/79/351064379.db2.gz AHYCHUUIHPFDCH-VQTKUKTRSA-N 1 0 292.383 2.778 20 5 CFBDRO CCC[C@@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185568 351115837 /nfs/dbraw/zinc/11/58/37/351115837.db2.gz JAAXXCCFMOIUII-GXFFZTMASA-N 1 0 289.339 2.596 20 5 CFBDRO C[C@@](CO)([NH2+]CC1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602963336 351073279 /nfs/dbraw/zinc/07/32/79/351073279.db2.gz VRBGDGHIJUWUFS-INIZCTEOSA-N 1 0 292.379 2.828 20 5 CFBDRO CC[C@@]1(O)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000602982206 351083931 /nfs/dbraw/zinc/08/39/31/351083931.db2.gz OYFQNFDCSJPVJW-IUODEOHRSA-N 1 0 278.352 2.893 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997049 351088033 /nfs/dbraw/zinc/08/80/33/351088033.db2.gz BESQLPADJXSFJO-IMJJTQAJSA-N 1 0 290.363 2.720 20 5 CFBDRO CN(CCCC[NH+]1CCCCC1)c1ccncc1[N+](=O)[O-] ZINC000603424504 351161766 /nfs/dbraw/zinc/16/17/66/351161766.db2.gz ZBFABNNMORKMIB-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000603435792 351163806 /nfs/dbraw/zinc/16/38/06/351163806.db2.gz ZGVDBZISESKYDF-YRGRVCCFSA-N 1 0 277.368 2.543 20 5 CFBDRO COC(=O)CCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000610341826 351556192 /nfs/dbraw/zinc/55/61/92/351556192.db2.gz XTFRHGUSOJCLOZ-NSHDSACASA-N 1 0 280.324 2.589 20 5 CFBDRO C[NH+]1CCC([C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000611116272 351641846 /nfs/dbraw/zinc/64/18/46/351641846.db2.gz QPZJJQQODKRXLD-LBPRGKRZSA-N 1 0 295.408 2.824 20 5 CFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180316 351648448 /nfs/dbraw/zinc/64/84/48/351648448.db2.gz WSNMLZKXWWTNGO-SNVBAGLBSA-N 1 0 286.278 2.561 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000611180171 351648656 /nfs/dbraw/zinc/64/86/56/351648656.db2.gz SYGZSBYPGQSRSD-NSHDSACASA-N 1 0 270.279 2.990 20 5 CFBDRO C[NH+](C)CCCC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611228004 351653462 /nfs/dbraw/zinc/65/34/62/351653462.db2.gz CEBCKNNQWPUVKF-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611259430 351660152 /nfs/dbraw/zinc/66/01/52/351660152.db2.gz CGZXTHKLHKSGLV-NSHDSACASA-N 1 0 294.351 2.844 20 5 CFBDRO Cc1c(C[N@H+]2CCCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610990752 351628474 /nfs/dbraw/zinc/62/84/74/351628474.db2.gz MAOQCVQAPAYZJF-LLVKDONJSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611271131 351661174 /nfs/dbraw/zinc/66/11/74/351661174.db2.gz JCQKSBFIIQNGPG-IQCBXXCUSA-N 1 0 289.379 2.634 20 5 CFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](CC2CC2)CC1 ZINC000611411824 351684812 /nfs/dbraw/zinc/68/48/12/351684812.db2.gz SMAAMWASEJEYLL-UHFFFAOYSA-N 1 0 281.381 2.943 20 5 CFBDRO COc1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)ccc1[N+](=O)[O-] ZINC000611516922 351702586 /nfs/dbraw/zinc/70/25/86/351702586.db2.gz CHWBFHROQVXNMM-SNVBAGLBSA-N 1 0 286.278 2.690 20 5 CFBDRO COc1cc(C[NH+]2CCC3(CC3)CC2)ccc1[N+](=O)[O-] ZINC000611516807 351702772 /nfs/dbraw/zinc/70/27/72/351702772.db2.gz IZKRKOUKMJHWIY-UHFFFAOYSA-N 1 0 276.336 2.979 20 5 CFBDRO C[C@@H]1COCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611272349 351662775 /nfs/dbraw/zinc/66/27/75/351662775.db2.gz AXWTVVAZSSIVHA-LLPBQKLSSA-N 1 0 276.336 2.719 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291758772 198082735 /nfs/dbraw/zinc/08/27/35/198082735.db2.gz LADDOHYJJPXBLO-IUODEOHRSA-N 1 0 286.335 2.799 20 5 CFBDRO C[C@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122992696 187064715 /nfs/dbraw/zinc/06/47/15/187064715.db2.gz LUPZLJAYIMEOPY-VHSXEESVSA-N 1 0 279.315 2.771 20 5 CFBDRO Cc1c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123629733 187101811 /nfs/dbraw/zinc/10/18/11/187101811.db2.gz QDTSLRRIKLYKLY-IUODEOHRSA-N 1 0 291.395 2.818 20 5 CFBDRO CN(CC1([NH+](C)C)CCC1)c1sccc1[N+](=O)[O-] ZINC000614982768 352139931 /nfs/dbraw/zinc/13/99/31/352139931.db2.gz UIVJEZZIHKMQMF-UHFFFAOYSA-N 1 0 269.370 2.577 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(C)C1 ZINC000615720616 352236364 /nfs/dbraw/zinc/23/63/64/352236364.db2.gz YADBFPSFYPAHMO-GLNPCMGASA-N 1 0 289.379 2.682 20 5 CFBDRO CC(C)([NH2+]CCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000292048826 198144872 /nfs/dbraw/zinc/14/48/72/198144872.db2.gz BHUXCDNJBQECLG-UHFFFAOYSA-N 1 0 280.368 2.972 20 5 CFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532705 191196365 /nfs/dbraw/zinc/19/63/65/191196365.db2.gz MNKNKEATFJUTRV-LNSITVRQSA-N 1 0 278.352 2.891 20 5 CFBDRO CC(C)(CCCO)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271594785 191232440 /nfs/dbraw/zinc/23/24/40/191232440.db2.gz XPJBWPSIHIQGPX-VMPITWQZSA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135215315 187807339 /nfs/dbraw/zinc/80/73/39/187807339.db2.gz MHBAPOCVMAHZTD-GXSJLCMTSA-N 1 0 284.743 2.763 20 5 CFBDRO CC(C)([NH2+]CC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000292142858 198180227 /nfs/dbraw/zinc/18/02/27/198180227.db2.gz MPYJXSBGDCPXMA-GFCCVEGCSA-N 1 0 278.352 2.989 20 5 CFBDRO C[C@@]1(O)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000619432076 353022387 /nfs/dbraw/zinc/02/23/87/353022387.db2.gz NZTMTFFDGKOJHM-HQQUCIOCSA-N 1 0 290.363 2.845 20 5 CFBDRO COCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151641753 187972298 /nfs/dbraw/zinc/97/22/98/187972298.db2.gz BQPTWNPOQVMZPJ-AWEZNQCLSA-N 1 0 278.352 2.542 20 5 CFBDRO CC[C@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000154611686 188153412 /nfs/dbraw/zinc/15/34/12/188153412.db2.gz BZJIYJNRQLQJKB-DOMZBBRYSA-N 1 0 280.368 2.667 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000157536273 188324209 /nfs/dbraw/zinc/32/42/09/188324209.db2.gz GRMXWWYLEJRYII-OAHLLOKOSA-N 1 0 286.335 2.628 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000158767305 188392801 /nfs/dbraw/zinc/39/28/01/188392801.db2.gz FMLIERZSAVUJIY-RTXFEEFZSA-N 1 0 282.727 2.658 20 5 CFBDRO CCOC(=O)CCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271728622 191294901 /nfs/dbraw/zinc/29/49/01/191294901.db2.gz MOYNMKMNFMYVET-GFCCVEGCSA-N 1 0 294.351 2.979 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000368389741 283078782 /nfs/dbraw/zinc/07/87/82/283078782.db2.gz YLRBLHJQTJAJAK-ZWNOBZJWSA-N 1 0 295.770 2.779 20 5 CFBDRO CCSCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271819061 191346073 /nfs/dbraw/zinc/34/60/73/191346073.db2.gz ZUVPEYJAMQSZIT-SNVBAGLBSA-N 1 0 254.355 2.999 20 5 CFBDRO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447599777 535371284 /nfs/dbraw/zinc/37/12/84/535371284.db2.gz KVIPLYUZXILPFY-CHWSQXEVSA-N 1 0 278.356 2.831 20 5 CFBDRO C[C@@H](CCCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294744545 199162579 /nfs/dbraw/zinc/16/25/79/199162579.db2.gz HMVCLAKADWSKRB-JTQLQIEISA-N 1 0 286.759 2.746 20 5 CFBDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000294857895 199216538 /nfs/dbraw/zinc/21/65/38/199216538.db2.gz BTVPFBQZWPDHSU-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000297431598 200187913 /nfs/dbraw/zinc/18/79/13/200187913.db2.gz VIVZEESXGOQNPM-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(O)CC1 ZINC000177299908 189042435 /nfs/dbraw/zinc/04/24/35/189042435.db2.gz CUPQLRWBMWQYIZ-NSHDSACASA-N 1 0 264.325 2.503 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)C)CC2)n1 ZINC000178153014 189093778 /nfs/dbraw/zinc/09/37/78/189093778.db2.gz FBCLQWRNWOTOMK-UHFFFAOYSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000178249383 189100623 /nfs/dbraw/zinc/10/06/23/189100623.db2.gz JGCHYEUBKCSVNU-VXGBXAGGSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1ccc([C@@H](C)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423260225 238318587 /nfs/dbraw/zinc/31/85/87/238318587.db2.gz GZHRGHNTUMMYEX-TZMCWYRMSA-N 1 0 279.384 2.927 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C(C)C)C(C)C ZINC000180447313 189255739 /nfs/dbraw/zinc/25/57/39/189255739.db2.gz AVLWXNKPIUMRJW-UHFFFAOYSA-N 1 0 293.367 2.961 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000301655246 201117851 /nfs/dbraw/zinc/11/78/51/201117851.db2.gz UUSIZHUYEXEDBC-LLVKDONJSA-N 1 0 280.372 2.686 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301661839 201122650 /nfs/dbraw/zinc/12/26/50/201122650.db2.gz MXAJCEXQBBLMBN-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000183279549 189353398 /nfs/dbraw/zinc/35/33/98/189353398.db2.gz VQKWUSYZDPAGPL-CQSZACIVSA-N 1 0 291.395 2.677 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccnn2C)cc1[N+](=O)[O-] ZINC000184015219 189373804 /nfs/dbraw/zinc/37/38/04/189373804.db2.gz KLXBJAZGVFFNMV-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO CS[C@H]1CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000425343072 239005138 /nfs/dbraw/zinc/00/51/38/239005138.db2.gz IBGFOHRQEPSZAT-YPMHNXCESA-N 1 0 266.366 2.621 20 5 CFBDRO O=[N+]([O-])c1ccsc1NCC[NH+]1CCCCCC1 ZINC000301918904 201264076 /nfs/dbraw/zinc/26/40/76/201264076.db2.gz BQUDSJPAIXWBMM-UHFFFAOYSA-N 1 0 269.370 2.944 20 5 CFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000286582561 291283535 /nfs/dbraw/zinc/28/35/35/291283535.db2.gz YLAIFWMAFYZWEF-STQMWFEESA-N 1 0 275.352 2.658 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435230158 240294592 /nfs/dbraw/zinc/29/45/92/240294592.db2.gz OEZIBLOSLVILDT-CYBMUJFWSA-N 1 0 295.770 2.575 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275483046 193054976 /nfs/dbraw/zinc/05/49/76/193054976.db2.gz OMNVHCKGWVTQNO-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000275763899 193122692 /nfs/dbraw/zinc/12/26/92/193122692.db2.gz SDPITQOBOCFNAZ-RYUDHWBXSA-N 1 0 262.309 2.938 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443793708 241090472 /nfs/dbraw/zinc/09/04/72/241090472.db2.gz YIRACXHQPBWVOH-RBOXIYTFSA-N 1 0 292.379 2.885 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H](C)O1 ZINC000446086326 241278018 /nfs/dbraw/zinc/27/80/18/241278018.db2.gz YWFGCVUKEQLHSP-FRRDWIJNSA-N 1 0 278.352 2.635 20 5 CFBDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447554341 241385075 /nfs/dbraw/zinc/38/50/75/241385075.db2.gz ZZOKSKSVFAXSQR-FDYHWXHSSA-N 1 0 278.356 2.521 20 5 CFBDRO COCC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449096249 241692318 /nfs/dbraw/zinc/69/23/18/241692318.db2.gz FXVGLTKAJOYRRH-UHFFFAOYSA-N 1 0 278.352 2.890 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449145488 241722641 /nfs/dbraw/zinc/72/26/41/241722641.db2.gz LKVJIDZSTQYAKF-SWLSCSKDSA-N 1 0 280.368 2.667 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCSC1 ZINC000449290141 241822349 /nfs/dbraw/zinc/82/23/49/241822349.db2.gz DQVDUHTYAUGCJK-VXGBXAGGSA-N 1 0 280.393 2.869 20 5 CFBDRO Cc1ncsc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449467509 241955641 /nfs/dbraw/zinc/95/56/41/241955641.db2.gz MBRGDFNBLQSTEU-UHFFFAOYSA-N 1 0 295.339 2.831 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449600458 242058393 /nfs/dbraw/zinc/05/83/93/242058393.db2.gz KCMKDJXSOGGGCY-DUVNUKRYSA-N 1 0 292.379 2.667 20 5 CFBDRO CCc1ncc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000449607676 242062118 /nfs/dbraw/zinc/06/21/18/242062118.db2.gz CAOVCCFGHVMISI-ALCCZGGFSA-N 1 0 287.319 2.948 20 5 CFBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000449622138 242071325 /nfs/dbraw/zinc/07/13/25/242071325.db2.gz CKZOVYCVZCOVHL-AWEZNQCLSA-N 1 0 291.395 2.819 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449679245 242103839 /nfs/dbraw/zinc/10/38/39/242103839.db2.gz HOJBGQXRPSIQFN-MRXNPFEDSA-N 1 0 290.363 2.906 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H](C)C1 ZINC000452059894 243029466 /nfs/dbraw/zinc/02/94/66/243029466.db2.gz CLSXXKPBNKJRMT-RWMBFGLXSA-N 1 0 280.372 2.596 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452124456 243054857 /nfs/dbraw/zinc/05/48/57/243054857.db2.gz JAXMEKYUINVXCW-CHWSQXEVSA-N 1 0 278.352 2.750 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000295146582 299389021 /nfs/dbraw/zinc/38/90/21/299389021.db2.gz CRBDNXNAGFSAQT-GXFFZTMASA-N 1 0 264.325 2.813 20 5 CFBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851235 203310827 /nfs/dbraw/zinc/31/08/27/203310827.db2.gz NOGMSIMIRRSEMC-PWSUYJOCSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851231 203310878 /nfs/dbraw/zinc/31/08/78/203310878.db2.gz NOGMSIMIRRSEMC-CMPLNLGQSA-N 1 0 284.381 2.639 20 5 CFBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863674 203328460 /nfs/dbraw/zinc/32/84/60/203328460.db2.gz TXLOMKJWRBFWGQ-DGCLKSJQSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459767979 245314294 /nfs/dbraw/zinc/31/42/94/245314294.db2.gz FTAKEJNFZARBOM-UGFHNGPFSA-N 1 0 276.336 2.752 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000003565456 371809837 /nfs/dbraw/zinc/80/98/37/371809837.db2.gz YYILLUDXOMWJBE-VXGBXAGGSA-N 1 0 291.351 2.654 20 5 CFBDRO Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000019441489 372164695 /nfs/dbraw/zinc/16/46/95/372164695.db2.gz NBSQIPIONADFDN-UHFFFAOYSA-N 1 0 277.324 2.503 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cccs1 ZINC000020052957 372223519 /nfs/dbraw/zinc/22/35/19/372223519.db2.gz RHUPCPJCWVWXGX-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084421 372536621 /nfs/dbraw/zinc/53/66/21/372536621.db2.gz IPNVWUKNXCUFEW-UHFFFAOYSA-N 1 0 288.351 2.897 20 5 CFBDRO COc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000034629781 372509864 /nfs/dbraw/zinc/50/98/64/372509864.db2.gz MQJNDEYBVROXNM-UHFFFAOYSA-N 1 0 286.331 2.936 20 5 CFBDRO CCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000036722100 372587037 /nfs/dbraw/zinc/58/70/37/372587037.db2.gz TXDSEBQMRWCLMI-SNVBAGLBSA-N 1 0 252.314 2.882 20 5 CFBDRO CC[C@@H]([NH2+]CCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000037010555 372627713 /nfs/dbraw/zinc/62/77/13/372627713.db2.gz QLVHDWSXVBOIIQ-OAHLLOKOSA-N 1 0 296.367 2.689 20 5 CFBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037156932 372660245 /nfs/dbraw/zinc/66/02/45/372660245.db2.gz PLYWRZYDFNLBRD-NEPJUHHUSA-N 1 0 274.324 2.531 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[NH+](C)C ZINC000037988031 372749800 /nfs/dbraw/zinc/74/98/00/372749800.db2.gz YWXKSSYIEYARRC-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040775070 372789072 /nfs/dbraw/zinc/78/90/72/372789072.db2.gz MUTGOUYAHGPBKZ-YPMHNXCESA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000041663609 372857648 /nfs/dbraw/zinc/85/76/48/372857648.db2.gz CAPNHIDXJZUNNV-GFCCVEGCSA-N 1 0 263.341 2.737 20 5 CFBDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000048261694 373156615 /nfs/dbraw/zinc/15/66/15/373156615.db2.gz BQGJJDXUYSPUCO-LBPRGKRZSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000048372035 373172401 /nfs/dbraw/zinc/17/24/01/373172401.db2.gz MUPLBBYEQLSVHY-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000049067310 373259993 /nfs/dbraw/zinc/25/99/93/373259993.db2.gz PCSOSVMQCFNMBK-UHFFFAOYSA-N 1 0 297.742 2.671 20 5 CFBDRO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000049553818 373310251 /nfs/dbraw/zinc/31/02/51/373310251.db2.gz ZFKNFRKANAZMAK-RYUDHWBXSA-N 1 0 265.357 2.586 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000050269256 373367455 /nfs/dbraw/zinc/36/74/55/373367455.db2.gz KBACIVAYVZYEME-SMDDNHRTSA-N 1 0 262.309 2.938 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000052015330 373430445 /nfs/dbraw/zinc/43/04/45/373430445.db2.gz MAIWJFUJBPEAPS-CHWSQXEVSA-N 1 0 284.743 2.641 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051994441 373427240 /nfs/dbraw/zinc/42/72/40/373427240.db2.gz OPFXLHVFQMLPSH-ZLDLUXBVSA-N 1 0 278.352 2.857 20 5 CFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000054128256 373499820 /nfs/dbraw/zinc/49/98/20/373499820.db2.gz PFZPVTCPLSQNRX-UHFFFAOYSA-N 1 0 288.351 2.895 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351292 373758403 /nfs/dbraw/zinc/75/84/03/373758403.db2.gz SJSCSOWDXFPUPO-RISCZKNCSA-N 1 0 264.325 2.503 20 5 CFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000066834296 373956682 /nfs/dbraw/zinc/95/66/82/373956682.db2.gz IPTQXDULVHCZJU-AAEUAGOBSA-N 1 0 292.335 2.541 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000070074606 374121447 /nfs/dbraw/zinc/12/14/47/374121447.db2.gz NARFVKYRRRYZLK-QWRGUYRKSA-N 1 0 297.786 2.807 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000072722023 374280744 /nfs/dbraw/zinc/28/07/44/374280744.db2.gz KSZLHSVCDPDSJL-UHFFFAOYSA-N 1 0 297.742 2.671 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C ZINC000072874958 374298527 /nfs/dbraw/zinc/29/85/27/374298527.db2.gz KUFZGPMIKCPCLZ-LBPRGKRZSA-N 1 0 291.351 2.716 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H](C)O ZINC000075783464 374504956 /nfs/dbraw/zinc/50/49/56/374504956.db2.gz VGVPBGBXOKMGRX-LBPRGKRZSA-N 1 0 296.367 2.585 20 5 CFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000076003869 374520729 /nfs/dbraw/zinc/52/07/29/374520729.db2.gz SMUUVDHLSKLLHN-GFCCVEGCSA-N 1 0 297.424 2.820 20 5 CFBDRO C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000076117855 374534608 /nfs/dbraw/zinc/53/46/08/374534608.db2.gz FKXKCNDQOGCODP-SNVBAGLBSA-N 1 0 288.307 2.629 20 5 CFBDRO Cc1nnsc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000492379646 246273268 /nfs/dbraw/zinc/27/32/68/246273268.db2.gz XTPNDHQKOQKJPK-XQRVVYSFSA-N 1 0 290.348 2.558 20 5 CFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078617836 374569699 /nfs/dbraw/zinc/56/96/99/374569699.db2.gz CJDINAFAXRNAIQ-LLVKDONJSA-N 1 0 283.759 2.779 20 5 CFBDRO CCOc1cc(C[N@H+](C[C@@H](C)O)C(C)C)ccc1[N+](=O)[O-] ZINC000492631982 246349337 /nfs/dbraw/zinc/34/93/37/246349337.db2.gz QZPIPLWMRPRCMP-GFCCVEGCSA-N 1 0 296.367 2.585 20 5 CFBDRO COCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000081715059 374713797 /nfs/dbraw/zinc/71/37/97/374713797.db2.gz DYUMCUXQIGTILX-VIFPVBQESA-N 1 0 272.732 2.763 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089513444 374916874 /nfs/dbraw/zinc/91/68/74/374916874.db2.gz AORPVRQVEXLMAA-CQSZACIVSA-N 1 0 274.324 2.569 20 5 CFBDRO CC[C@H]([NH2+]Cc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090224358 375006607 /nfs/dbraw/zinc/00/66/07/375006607.db2.gz ZXPLYPOGAUCXCL-HNNXBMFYSA-N 1 0 288.351 2.878 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795056 375029768 /nfs/dbraw/zinc/02/97/68/375029768.db2.gz HLNNMJNZIGMOHN-KOLCDFICSA-N 1 0 267.304 2.629 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000092455829 375111351 /nfs/dbraw/zinc/11/13/51/375111351.db2.gz JXRBMIOWCUWPQZ-ZDUSSCGKSA-N 1 0 278.352 2.675 20 5 CFBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000494250622 246760617 /nfs/dbraw/zinc/76/06/17/246760617.db2.gz KCQUKKVUXUIEEX-DOMZBBRYSA-N 1 0 294.351 2.521 20 5 CFBDRO CCOC[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093838737 375318947 /nfs/dbraw/zinc/31/89/47/375318947.db2.gz VWVAWWMWPGDJPV-DYLGSBMWSA-N 1 0 290.363 2.966 20 5 CFBDRO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093516242 375262328 /nfs/dbraw/zinc/26/23/28/375262328.db2.gz WNPUEFTYCPTOJS-DZGCQCFKSA-N 1 0 291.395 2.995 20 5 CFBDRO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774868 375379284 /nfs/dbraw/zinc/37/92/84/375379284.db2.gz CLCKFHKODZIQJW-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000094801386 375381016 /nfs/dbraw/zinc/38/10/16/375381016.db2.gz MNCDLMSQBDBLDV-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO Cc1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000097934296 375587977 /nfs/dbraw/zinc/58/79/77/375587977.db2.gz NUCSUVGPKCNWIX-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000102409650 375672470 /nfs/dbraw/zinc/67/24/70/375672470.db2.gz CYGWZTMOCYUNGX-HNNXBMFYSA-N 1 0 286.335 2.628 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000102409652 375672664 /nfs/dbraw/zinc/67/26/64/375672664.db2.gz CYGWZTMOCYUNGX-OAHLLOKOSA-N 1 0 286.335 2.628 20 5 CFBDRO Cc1cc(NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000104353334 375779368 /nfs/dbraw/zinc/77/93/68/375779368.db2.gz NTHYREJUMLQQNR-LBPRGKRZSA-N 1 0 263.341 2.705 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000107830656 375810233 /nfs/dbraw/zinc/81/02/33/375810233.db2.gz DYTWDWGQAFJCSD-ZIAGYGMSSA-N 1 0 275.352 2.942 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114482306 376069326 /nfs/dbraw/zinc/06/93/26/376069326.db2.gz WITOJTLXZZKOPN-UHFFFAOYSA-N 1 0 264.325 2.846 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCOCC1)C1CC1 ZINC000119000403 376334786 /nfs/dbraw/zinc/33/47/86/376334786.db2.gz KFSZDYUCYTZOMB-OAHLLOKOSA-N 1 0 290.363 2.685 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000119014182 376337272 /nfs/dbraw/zinc/33/72/72/376337272.db2.gz DHYWARGWHGLQFK-UHFFFAOYSA-N 1 0 271.320 2.664 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000121225730 376786593 /nfs/dbraw/zinc/78/65/93/376786593.db2.gz NALFTLNTSQOKAP-LLVKDONJSA-N 1 0 299.330 2.545 20 5 CFBDRO CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128493378 377342295 /nfs/dbraw/zinc/34/22/95/377342295.db2.gz PROVUIDREKXPSV-WFASDCNBSA-N 1 0 279.384 2.961 20 5 CFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000131014458 377645760 /nfs/dbraw/zinc/64/57/60/377645760.db2.gz OAORCKBGPBEYNO-CQSZACIVSA-N 1 0 292.314 2.671 20 5 CFBDRO CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000131160842 377668525 /nfs/dbraw/zinc/66/85/25/377668525.db2.gz AMVHYDNVGCEOIL-GQCTYLIASA-N 1 0 276.336 2.767 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000131289832 377688737 /nfs/dbraw/zinc/68/87/37/377688737.db2.gz OJBAYNPKEVPNLW-FZMZJTMJSA-N 1 0 266.341 2.571 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000131737836 377754469 /nfs/dbraw/zinc/75/44/69/377754469.db2.gz JLNPPSSMBKENCM-TUAOUCFPSA-N 1 0 266.341 2.571 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C2Cc3ccccc3C2)cs1 ZINC000133665273 377947478 /nfs/dbraw/zinc/94/74/78/377947478.db2.gz OJPKSJMGBYAEIM-UHFFFAOYSA-N 1 0 274.345 2.913 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)C(C)(C)C ZINC000134435030 378014284 /nfs/dbraw/zinc/01/42/84/378014284.db2.gz UKIIYOAWAPNARU-CYBMUJFWSA-N 1 0 284.331 2.573 20 5 CFBDRO CCOc1cccc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000134901296 378061189 /nfs/dbraw/zinc/06/11/89/378061189.db2.gz LUXNEKIOCMWDEJ-UHFFFAOYSA-N 1 0 295.383 2.993 20 5 CFBDRO CCOc1cccc(NC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000134908693 378061999 /nfs/dbraw/zinc/06/19/99/378061999.db2.gz BZBCQFIRWPDELF-UHFFFAOYSA-N 1 0 293.367 2.890 20 5 CFBDRO Cc1ccncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000135455566 378134349 /nfs/dbraw/zinc/13/43/49/378134349.db2.gz WIRAWHZHBAKHJZ-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151229593 378309932 /nfs/dbraw/zinc/30/99/32/378309932.db2.gz GEPDUHZUQGHXIW-QWRGUYRKSA-N 1 0 292.257 2.559 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CCO ZINC000151919592 378372633 /nfs/dbraw/zinc/37/26/33/378372633.db2.gz RICKDVIGKSRVHX-CMPLNLGQSA-N 1 0 266.341 2.572 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152923237 378458686 /nfs/dbraw/zinc/45/86/86/378458686.db2.gz OEXAEKFQDHIMPD-NWDGAFQWSA-N 1 0 266.341 2.979 20 5 CFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)CC)cc1[N+](=O)[O-] ZINC000153266560 378482095 /nfs/dbraw/zinc/48/20/95/378482095.db2.gz FKUGOMFEMLRZMW-GFCCVEGCSA-N 1 0 295.383 2.596 20 5 CFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000331008649 378615028 /nfs/dbraw/zinc/61/50/28/378615028.db2.gz IGXCEFWNTKVZPO-NXEZZACHSA-N 1 0 295.314 2.545 20 5 CFBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331285157 378663247 /nfs/dbraw/zinc/66/32/47/378663247.db2.gz GEYJEYKXTFPWLJ-NEPJUHHUSA-N 1 0 280.372 2.729 20 5 CFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331568280 378709965 /nfs/dbraw/zinc/70/99/65/378709965.db2.gz UQXBWJIZEJBKJU-QWHCGFSZSA-N 1 0 289.379 2.791 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159520666 378713584 /nfs/dbraw/zinc/71/35/84/378713584.db2.gz WZFLAJOGDMMLNA-KFWWJZLASA-N 1 0 288.347 2.642 20 5 CFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000162407765 378911277 /nfs/dbraw/zinc/91/12/77/378911277.db2.gz MFFPZBLQOZHTHT-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163397432 378969482 /nfs/dbraw/zinc/96/94/82/378969482.db2.gz VYNIQLZMGLNIIR-LLVKDONJSA-N 1 0 291.351 2.559 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)O ZINC000278713718 194116481 /nfs/dbraw/zinc/11/64/81/194116481.db2.gz IGFBFQQPIZZQCX-OLZOCXBDSA-N 1 0 280.368 2.667 20 5 CFBDRO CCC[C@H]([NH2+][C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168730434 379095575 /nfs/dbraw/zinc/09/55/75/379095575.db2.gz YCZZKACNIIIGEV-WFASDCNBSA-N 1 0 279.384 2.976 20 5 CFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000339360595 220263029 /nfs/dbraw/zinc/26/30/29/220263029.db2.gz JJZQSWZNUPKHET-SSDOTTSWSA-N 1 0 282.325 2.752 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278778636 194151513 /nfs/dbraw/zinc/15/15/13/194151513.db2.gz YZCAKJQVSHPGOF-UHFFFAOYSA-N 1 0 290.363 2.627 20 5 CFBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000278822611 194171438 /nfs/dbraw/zinc/17/14/38/194171438.db2.gz SOQAFBYIDRLUKZ-IAQYHMDHSA-N 1 0 277.368 2.512 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171690646 379373060 /nfs/dbraw/zinc/37/30/60/379373060.db2.gz GIMSBBMWTRZAOL-LLVKDONJSA-N 1 0 266.366 2.575 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000171692176 379374797 /nfs/dbraw/zinc/37/47/97/379374797.db2.gz DVMMCIDUWXOGCF-UHFFFAOYSA-N 1 0 277.368 2.557 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171951790 379451339 /nfs/dbraw/zinc/45/13/39/379451339.db2.gz CADQYSHSJIYTRT-NEPJUHHUSA-N 1 0 293.367 2.900 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279004770 194247956 /nfs/dbraw/zinc/24/79/56/194247956.db2.gz GGEXBMIJLZJJAB-IAQYHMDHSA-N 1 0 292.379 2.925 20 5 CFBDRO Cc1c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cccc1[N+](=O)[O-] ZINC000172963060 379676508 /nfs/dbraw/zinc/67/65/08/379676508.db2.gz UOHVGEWJQUOCAK-BETUJISGSA-N 1 0 260.337 2.991 20 5 CFBDRO CC(C)(C)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463584 379740339 /nfs/dbraw/zinc/74/03/39/379740339.db2.gz FQJLPWMZZIPFGQ-GFCCVEGCSA-N 1 0 292.383 2.912 20 5 CFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000174809810 379944013 /nfs/dbraw/zinc/94/40/13/379944013.db2.gz FCMQTORTRLZIPI-SNVBAGLBSA-N 1 0 294.742 2.796 20 5 CFBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176270305 380204615 /nfs/dbraw/zinc/20/46/15/380204615.db2.gz LRRWEYFQFYQDDQ-CHWSQXEVSA-N 1 0 280.372 2.692 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(Cl)c1 ZINC000176193752 380191399 /nfs/dbraw/zinc/19/13/99/380191399.db2.gz FMMSTDVUEGGKGV-UHFFFAOYSA-N 1 0 294.742 2.577 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452128384 383747585 /nfs/dbraw/zinc/74/75/85/383747585.db2.gz MBPBBYBJIIFOQR-QWHCGFSZSA-N 1 0 278.352 2.750 20 5 CFBDRO CCC[C@@H](C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180344627 380646269 /nfs/dbraw/zinc/64/62/69/380646269.db2.gz BACGSCCETAHBIW-OLZOCXBDSA-N 1 0 292.383 2.912 20 5 CFBDRO CCOc1cc(C[N@H+](CCO)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000287403851 380823809 /nfs/dbraw/zinc/82/38/09/380823809.db2.gz OCTNOAGFBMIFTG-GFCCVEGCSA-N 1 0 296.367 2.586 20 5 CFBDRO C[C@H](O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000279199505 194328665 /nfs/dbraw/zinc/32/86/65/194328665.db2.gz XFCRZDQBIBBUDM-NHYWBVRUSA-N 1 0 278.352 2.723 20 5 CFBDRO COc1ccncc1COc1ccccc1[N+](=O)[O-] ZINC000341182102 380819573 /nfs/dbraw/zinc/81/95/73/380819573.db2.gz VEXJJRDYAKVLDE-UHFFFAOYSA-N 1 0 260.249 2.577 20 5 CFBDRO C[C@H]([NH2+]Cc1cccn1C)c1ccccc1[N+](=O)[O-] ZINC000341259055 380873023 /nfs/dbraw/zinc/87/30/23/380873023.db2.gz AOPWJUFQTVUETB-NSHDSACASA-N 1 0 259.309 2.784 20 5 CFBDRO COCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000341214851 380835108 /nfs/dbraw/zinc/83/51/08/380835108.db2.gz QALZGVWHAIPATQ-DAXSKMNVSA-N 1 0 276.336 2.767 20 5 CFBDRO CC(C)N(Cc1cnns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000295415798 380838520 /nfs/dbraw/zinc/83/85/20/380838520.db2.gz DOKODXFHAQVINQ-UHFFFAOYSA-N 1 0 292.364 2.857 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000353769931 380840254 /nfs/dbraw/zinc/84/02/54/380840254.db2.gz SRQRTQXOCBYQNK-ZFWWWQNUSA-N 1 0 291.395 2.899 20 5 CFBDRO CC1(C)C[C@H](O)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000295429881 380848617 /nfs/dbraw/zinc/84/86/17/380848617.db2.gz JGVSGBGOQAUIHA-OAHLLOKOSA-N 1 0 292.379 2.620 20 5 CFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000353942603 380974417 /nfs/dbraw/zinc/97/44/17/380974417.db2.gz GMNADYNINCVDBW-ZIAGYGMSSA-N 1 0 278.352 2.890 20 5 CFBDRO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000347165076 380980973 /nfs/dbraw/zinc/98/09/73/380980973.db2.gz JPFGBGCCRJMBPD-KEDPEKRHSA-N 1 0 289.379 2.682 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(O)CCC1 ZINC000341338333 380947086 /nfs/dbraw/zinc/94/70/86/380947086.db2.gz XZUGVYVDYIZJOM-RAXLEYEMSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@H]([NH3+])[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347234964 381020591 /nfs/dbraw/zinc/02/05/91/381020591.db2.gz ZYYRYDAIHSELJS-BPFGOOJPSA-N 1 0 289.379 2.667 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000182132478 380999038 /nfs/dbraw/zinc/99/90/38/380999038.db2.gz FHCYRRVNFMQXQP-UHFFFAOYSA-N 1 0 266.341 2.579 20 5 CFBDRO COC[C@@H]1CC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000354056726 381049093 /nfs/dbraw/zinc/04/90/93/381049093.db2.gz MEIDVFYZCFEKMP-PINLSGDHSA-N 1 0 276.336 2.719 20 5 CFBDRO COC[C@H]1CC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000354056725 381049760 /nfs/dbraw/zinc/04/97/60/381049760.db2.gz MEIDVFYZCFEKMP-LDCOFTPGSA-N 1 0 276.336 2.719 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)cc1 ZINC000341514171 381059329 /nfs/dbraw/zinc/05/93/29/381059329.db2.gz QYJJTXFGMDBGOF-OAHLLOKOSA-N 1 0 292.379 2.873 20 5 CFBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182329862 381065768 /nfs/dbraw/zinc/06/57/68/381065768.db2.gz DWKXYSSKZSWQCB-TZMCWYRMSA-N 1 0 294.351 2.521 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000368570754 381069581 /nfs/dbraw/zinc/06/95/81/381069581.db2.gz ZFLNAJPHVZEJQX-JTQLQIEISA-N 1 0 297.305 2.548 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411871168 381040334 /nfs/dbraw/zinc/04/03/34/381040334.db2.gz HFDUMFOAYWQMOK-MRXNPFEDSA-N 1 0 290.363 2.638 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(O)CCC1 ZINC000347365445 381101079 /nfs/dbraw/zinc/10/10/79/381101079.db2.gz CYMGAVNLJOCMJL-UKTHLTGXSA-N 1 0 290.363 2.845 20 5 CFBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000295836865 381107702 /nfs/dbraw/zinc/10/77/02/381107702.db2.gz ZFPKNYSHQQOMTM-DCQANWLSSA-N 1 0 264.325 2.811 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC[C@H](C)O ZINC000347383694 381112532 /nfs/dbraw/zinc/11/25/32/381112532.db2.gz YSZPGPNVAYWOBM-SRXBQZRASA-N 1 0 278.352 2.701 20 5 CFBDRO COCCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182695111 381140598 /nfs/dbraw/zinc/14/05/98/381140598.db2.gz LBWTWAIZFUFLBH-LBPRGKRZSA-N 1 0 266.341 2.933 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000289789501 381160096 /nfs/dbraw/zinc/16/00/96/381160096.db2.gz NBZHYVHNWAOOMO-NSHDSACASA-N 1 0 274.324 2.520 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000295956856 381180292 /nfs/dbraw/zinc/18/02/92/381180292.db2.gz JDIZQVBHZLSUKY-YOGCLGLASA-N 1 0 291.351 2.641 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000347526118 381202595 /nfs/dbraw/zinc/20/25/95/381202595.db2.gz DVMIWKVOZWQNTJ-LBPRGKRZSA-N 1 0 292.364 2.631 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359080500 381252358 /nfs/dbraw/zinc/25/23/58/381252358.db2.gz FZTVWIHSQRGDGQ-GFCCVEGCSA-N 1 0 280.372 2.749 20 5 CFBDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354423496 381257113 /nfs/dbraw/zinc/25/71/13/381257113.db2.gz SQUFAYBXNCCYED-ZIAGYGMSSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000354423493 381257168 /nfs/dbraw/zinc/25/71/68/381257168.db2.gz SQUFAYBXNCCYED-KGLIPLIRSA-N 1 0 294.399 2.986 20 5 CFBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000290009424 381258988 /nfs/dbraw/zinc/25/89/88/381258988.db2.gz ZNHPUEVZILXIFM-GJZGRUSLSA-N 1 0 290.363 2.984 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000342227719 381224324 /nfs/dbraw/zinc/22/43/24/381224324.db2.gz KVHQGODXOHGIFD-WCBMZHEXSA-N 1 0 276.670 2.991 20 5 CFBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289983068 381247574 /nfs/dbraw/zinc/24/75/74/381247574.db2.gz ZUHLUTNPJIRGMX-RKDXNWHRSA-N 1 0 272.732 2.761 20 5 CFBDRO CC1(C)C[NH+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000342370319 381300001 /nfs/dbraw/zinc/30/00/01/381300001.db2.gz KUBZURPOIHCRET-UHFFFAOYSA-N 1 0 280.372 2.549 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000290108473 381302108 /nfs/dbraw/zinc/30/21/08/381302108.db2.gz ILRXYOHRWWAENR-DGCLKSJQSA-N 1 0 266.341 2.979 20 5 CFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000359117060 381276381 /nfs/dbraw/zinc/27/63/81/381276381.db2.gz ITUXGMYSAWIQHS-QMMMGPOBSA-N 1 0 262.231 2.883 20 5 CFBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000354459156 381284894 /nfs/dbraw/zinc/28/48/94/381284894.db2.gz YWIQJBZRQWVJOR-IRQMKAKQSA-N 1 0 289.379 2.632 20 5 CFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000354538153 381328498 /nfs/dbraw/zinc/32/84/98/381328498.db2.gz GAJQBIKCQYVXFO-HIFRSBDPSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000290189014 381335977 /nfs/dbraw/zinc/33/59/77/381335977.db2.gz ODDGTSUNQWYQDR-VXGBXAGGSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000290189012 381336511 /nfs/dbraw/zinc/33/65/11/381336511.db2.gz ODDGTSUNQWYQDR-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347707636 381308045 /nfs/dbraw/zinc/30/80/45/381308045.db2.gz QVONQDDYTFAXIT-BETUJISGSA-N 1 0 277.368 2.509 20 5 CFBDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000296240731 381315645 /nfs/dbraw/zinc/31/56/45/381315645.db2.gz ATOOXGYZGHETRG-JQWIXIFHSA-N 1 0 281.356 2.643 20 5 CFBDRO C[C@@H](O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000354736805 381428831 /nfs/dbraw/zinc/42/88/31/381428831.db2.gz RMXWQXPCLPBTAZ-GFCCVEGCSA-N 1 0 278.352 2.720 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000296529038 381435815 /nfs/dbraw/zinc/43/58/15/381435815.db2.gz QIONIVKMTLIOPT-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO C[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296550712 381444823 /nfs/dbraw/zinc/44/48/23/381444823.db2.gz OSXUUEYZHJNDLT-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000296640872 381485125 /nfs/dbraw/zinc/48/51/25/381485125.db2.gz XZZHBIDNBCNUTO-NWDGAFQWSA-N 1 0 266.341 2.654 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000296566587 381452526 /nfs/dbraw/zinc/45/25/26/381452526.db2.gz QAODAYFVGVYMFY-AWEZNQCLSA-N 1 0 293.367 2.637 20 5 CFBDRO COC[C@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342727316 381503537 /nfs/dbraw/zinc/50/35/37/381503537.db2.gz BWCHSHVGMMKEEW-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000290895662 381589459 /nfs/dbraw/zinc/58/94/59/381589459.db2.gz HGMXMGKKTKJUGG-SNVBAGLBSA-N 1 0 299.396 2.507 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)F)CC2)c(F)c1 ZINC000355165620 381653152 /nfs/dbraw/zinc/65/31/52/381653152.db2.gz ZZUHYJOUORQQTJ-UHFFFAOYSA-N 1 0 274.242 2.869 20 5 CFBDRO C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)[NH3+] ZINC000415000075 381690706 /nfs/dbraw/zinc/69/07/06/381690706.db2.gz ACDQZDXWNBRTLW-WDEREUQCSA-N 1 0 289.335 2.680 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056554 381742314 /nfs/dbraw/zinc/74/23/14/381742314.db2.gz SHCYEQQSUCIJNF-GDBMZVCRSA-N 1 0 289.379 2.559 20 5 CFBDRO O=[N+]([O-])c1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415057473 381742617 /nfs/dbraw/zinc/74/26/17/381742617.db2.gz UIAZFEFYXYCGTH-STQMWFEESA-N 1 0 295.408 2.620 20 5 CFBDRO CCCNC(=O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000298924244 381782014 /nfs/dbraw/zinc/78/20/14/381782014.db2.gz NQQCUBVYWTTYJP-LBPRGKRZSA-N 1 0 293.367 2.552 20 5 CFBDRO CC[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292336577 381800269 /nfs/dbraw/zinc/80/02/69/381800269.db2.gz BCSWVDAIBDDKSU-UHFFFAOYSA-N 1 0 281.331 2.574 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000415134493 381800816 /nfs/dbraw/zinc/80/08/16/381800816.db2.gz HWXJKVFRJYUOGI-OAHLLOKOSA-N 1 0 297.358 2.793 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000299098710 381823362 /nfs/dbraw/zinc/82/33/62/381823362.db2.gz YWOOJWYQNZVPOY-GFCCVEGCSA-N 1 0 263.341 2.739 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC3(C2)CCCC3)c1 ZINC000372494343 381823490 /nfs/dbraw/zinc/82/34/90/381823490.db2.gz XKOCNJUCGPSYAJ-AWEZNQCLSA-N 1 0 276.336 2.504 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000299080236 381817350 /nfs/dbraw/zinc/81/73/50/381817350.db2.gz HSRKZSXAHAIOAT-RYUDHWBXSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cn1 ZINC000299080233 381817469 /nfs/dbraw/zinc/81/74/69/381817469.db2.gz HSRKZSXAHAIOAT-NEPJUHHUSA-N 1 0 278.356 2.522 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000349342009 381897515 /nfs/dbraw/zinc/89/75/15/381897515.db2.gz MIQQUUXEHNFLPH-BOYPOZMQSA-N 1 0 264.325 2.573 20 5 CFBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000292910868 381899335 /nfs/dbraw/zinc/89/93/35/381899335.db2.gz HKNBVVVFLMJSBR-OAHLLOKOSA-N 1 0 278.352 2.626 20 5 CFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[N@H+](C)C1CC1 ZINC000349351540 381902937 /nfs/dbraw/zinc/90/29/37/381902937.db2.gz QKYKLAIUEDYFKO-ALCCZGGFSA-N 1 0 289.379 2.634 20 5 CFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292928625 381907384 /nfs/dbraw/zinc/90/73/84/381907384.db2.gz ZBMXRNLNUBEURS-OAHLLOKOSA-N 1 0 275.352 2.517 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349410409 381925875 /nfs/dbraw/zinc/92/58/75/381925875.db2.gz SYOCSQXPTUIRFS-MLGOLLRUSA-N 1 0 292.379 2.921 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000293028360 381957365 /nfs/dbraw/zinc/95/73/65/381957365.db2.gz PPMRGBKPBHMKOA-ZDUSSCGKSA-N 1 0 284.743 2.763 20 5 CFBDRO C[N@H+]1CC=C(CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000293035900 381961033 /nfs/dbraw/zinc/96/10/33/381961033.db2.gz LJLINKRHUSTWAN-UHFFFAOYSA-N 1 0 281.743 2.922 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293056484 381970453 /nfs/dbraw/zinc/97/04/53/381970453.db2.gz IGLOBMLNDGSROB-HNNXBMFYSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1cccc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000292986689 381937896 /nfs/dbraw/zinc/93/78/96/381937896.db2.gz GAQLCHQCWOPXBH-CQSZACIVSA-N 1 0 289.379 2.825 20 5 CFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293017543 381950614 /nfs/dbraw/zinc/95/06/14/381950614.db2.gz OOUIXKKPCGOZRH-QMTHXVAHSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C1 ZINC000299655735 382016847 /nfs/dbraw/zinc/01/68/47/382016847.db2.gz PECZHOMGKYALJF-LLVKDONJSA-N 1 0 291.351 2.574 20 5 CFBDRO CC(C)[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299649300 382014944 /nfs/dbraw/zinc/01/49/44/382014944.db2.gz ZRQSLOHBMZQSKS-UHFFFAOYSA-N 1 0 291.395 2.899 20 5 CFBDRO C[C@@H]1CCC[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301060301 382069166 /nfs/dbraw/zinc/06/91/66/382069166.db2.gz BQDKHRBIYZURFP-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO CCC[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301055759 382067076 /nfs/dbraw/zinc/06/70/76/382067076.db2.gz HYPKGLYJKFRYJX-UHFFFAOYSA-N 1 0 283.759 2.780 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C1 ZINC000299655738 382017305 /nfs/dbraw/zinc/01/73/05/382017305.db2.gz PECZHOMGKYALJF-NSHDSACASA-N 1 0 291.351 2.574 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000186793775 382017507 /nfs/dbraw/zinc/01/75/07/382017507.db2.gz YYDQXUIGHIMDSN-LERXQTSPSA-N 1 0 264.325 2.549 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCC1)CCCC2 ZINC000417306804 382035228 /nfs/dbraw/zinc/03/52/28/382035228.db2.gz GPOSKXVPQALOER-HNNXBMFYSA-N 1 0 290.363 2.867 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307206 382035271 /nfs/dbraw/zinc/03/52/71/382035271.db2.gz GUNKXDRIAUJUBN-MLGOLLRUSA-N 1 0 292.379 2.970 20 5 CFBDRO C[C@H](CO)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000351490444 382040823 /nfs/dbraw/zinc/04/08/23/382040823.db2.gz FEGZDJBKJARFRU-LLVKDONJSA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000301197860 382103647 /nfs/dbraw/zinc/10/36/47/382103647.db2.gz UWVBYWCGOMBCMC-LBPRGKRZSA-N 1 0 292.383 2.912 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N(C)CC1CC[NH+](C)CC1 ZINC000301216941 382109187 /nfs/dbraw/zinc/10/91/87/382109187.db2.gz ZBVYKYFCFGYLNC-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000418089582 382125171 /nfs/dbraw/zinc/12/51/71/382125171.db2.gz BLKFFMPFEYDDHM-CQSZACIVSA-N 1 0 266.341 2.746 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000357238125 382072953 /nfs/dbraw/zinc/07/29/53/382072953.db2.gz MDYOCXUCJDXRRE-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000362446837 382073302 /nfs/dbraw/zinc/07/33/02/382073302.db2.gz AWSUTUWOQHSUGV-HOCLYGCPSA-N 1 0 290.363 2.904 20 5 CFBDRO CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293360894 382093396 /nfs/dbraw/zinc/09/33/96/382093396.db2.gz HIYMEYVYQQEXEJ-AEGPPILISA-N 1 0 292.379 2.667 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000301561551 382176489 /nfs/dbraw/zinc/17/64/89/382176489.db2.gz UVAFAJDYYVYOCX-AWEZNQCLSA-N 1 0 263.341 2.881 20 5 CFBDRO CCC[NH+]1CCC(CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301293912 382140311 /nfs/dbraw/zinc/14/03/11/382140311.db2.gz ONSWTOIMRGHGKR-UHFFFAOYSA-N 1 0 292.383 2.832 20 5 CFBDRO Cc1ccnc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301293850 382140616 /nfs/dbraw/zinc/14/06/16/382140616.db2.gz OLGCTYHCWMPSGK-YPMHNXCESA-N 1 0 292.383 2.831 20 5 CFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000301384682 382164434 /nfs/dbraw/zinc/16/44/34/382164434.db2.gz VAVNENPIHHMZRD-AWEZNQCLSA-N 1 0 281.331 2.510 20 5 CFBDRO CC[C@]1(C)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000344222792 382210048 /nfs/dbraw/zinc/21/00/48/382210048.db2.gz UWAMKKAWACQVIA-OAHLLOKOSA-N 1 0 291.351 2.655 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000293658450 382218089 /nfs/dbraw/zinc/21/80/89/382218089.db2.gz LCRKBLRQVRAIBF-SNVBAGLBSA-N 1 0 258.343 2.561 20 5 CFBDRO CC[C@]1(CO)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187588087 382218649 /nfs/dbraw/zinc/21/86/49/382218649.db2.gz VGVFINBELCPWBT-HNNXBMFYSA-N 1 0 278.352 2.579 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293669433 382224625 /nfs/dbraw/zinc/22/46/25/382224625.db2.gz JINCZVNWPPQWIU-BLLLJJGKSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000187881664 382286350 /nfs/dbraw/zinc/28/63/50/382286350.db2.gz TVFSXQDSCMTPCV-INWMFGNUSA-N 1 0 292.379 2.809 20 5 CFBDRO C[NH+](C)CCSc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356238 382287635 /nfs/dbraw/zinc/28/76/35/382287635.db2.gz LDTJRKFJDSJGBM-UHFFFAOYSA-N 1 0 277.349 2.797 20 5 CFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419331663 382289097 /nfs/dbraw/zinc/28/90/97/382289097.db2.gz JNZUHRJJHFLOLW-KBPBESRZSA-N 1 0 294.399 2.938 20 5 CFBDRO Cc1cccc(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000302518328 382261444 /nfs/dbraw/zinc/26/14/44/382261444.db2.gz WFMUXAITFYDMIH-UHFFFAOYSA-N 1 0 277.368 2.824 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccsc3)C2)c1 ZINC000364326668 382307508 /nfs/dbraw/zinc/30/75/08/382307508.db2.gz HIHWFCDYDPOMPH-LBPRGKRZSA-N 1 0 292.364 2.690 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000187956895 382309444 /nfs/dbraw/zinc/30/94/44/382309444.db2.gz YPEGTKLVGMEJLN-XJKSGUPXSA-N 1 0 292.379 2.620 20 5 CFBDRO Cc1ncc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000293862055 382310888 /nfs/dbraw/zinc/31/08/88/382310888.db2.gz UPLWXAYLIGOEBA-MRVPVSSYSA-N 1 0 292.364 2.793 20 5 CFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000420293088 382346122 /nfs/dbraw/zinc/34/61/22/382346122.db2.gz XKOGMPWOLZSOAU-VHSXEESVSA-N 1 0 267.304 2.663 20 5 CFBDRO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420286665 382342536 /nfs/dbraw/zinc/34/25/36/382342536.db2.gz QOYBZBYBMJCNTN-NEPJUHHUSA-N 1 0 263.341 2.833 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000304019552 382370047 /nfs/dbraw/zinc/37/00/47/382370047.db2.gz DCTJHKXSNYWDKS-JOYOIKCWSA-N 1 0 272.370 2.543 20 5 CFBDRO CC[C@H](O)[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000304092515 382374421 /nfs/dbraw/zinc/37/44/21/382374421.db2.gz CKXBJTMUZNXMOM-RYUDHWBXSA-N 1 0 284.381 2.782 20 5 CFBDRO [NH3+]CC[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000352526637 382380914 /nfs/dbraw/zinc/38/09/14/382380914.db2.gz QAYGPIZLMKFLLN-ZKKXHLJNSA-N 1 0 289.379 2.811 20 5 CFBDRO COc1cc(C[N@@H+](C[C@@H](C)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000352545249 382390663 /nfs/dbraw/zinc/39/06/63/382390663.db2.gz HSJYRGPNXSNBQH-GFCCVEGCSA-N 1 0 296.367 2.849 20 5 CFBDRO CO[C@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188117426 382347898 /nfs/dbraw/zinc/34/78/98/382347898.db2.gz ZRTJNBRYOAEBAL-VXGBXAGGSA-N 1 0 266.341 2.540 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000305144958 382428377 /nfs/dbraw/zinc/42/83/77/382428377.db2.gz RKNVQYFPLDKRBE-CJNGLKHVSA-N 1 0 294.395 2.913 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[C@@H]1O ZINC000352669340 382444763 /nfs/dbraw/zinc/44/47/63/382444763.db2.gz YYOLDDNPRCNIGY-STQMWFEESA-N 1 0 284.743 2.593 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304437917 382408817 /nfs/dbraw/zinc/40/88/17/382408817.db2.gz FHMVDDLNZXCWLQ-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304451888 382411323 /nfs/dbraw/zinc/41/13/23/382411323.db2.gz OMZUQZXSLICRQQ-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000358020650 382413465 /nfs/dbraw/zinc/41/34/65/382413465.db2.gz FQNAIYZOTVIGRD-OLZOCXBDSA-N 1 0 294.351 2.508 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188468128 382420031 /nfs/dbraw/zinc/42/00/31/382420031.db2.gz LUYVBYYWUZRWBL-SMDDNHRTSA-N 1 0 293.367 2.502 20 5 CFBDRO CN(Cc1cccn1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352618447 382420750 /nfs/dbraw/zinc/42/07/50/382420750.db2.gz QNNVDXDALUYRMH-UHFFFAOYSA-N 1 0 277.299 2.704 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000188865925 382495549 /nfs/dbraw/zinc/49/55/49/382495549.db2.gz HHPLPCRZFXRTQM-CQSZACIVSA-N 1 0 266.341 2.746 20 5 CFBDRO CC(C)(C[NH+]1CCCC1)NCc1csc([N+](=O)[O-])c1 ZINC000308628116 382482043 /nfs/dbraw/zinc/48/20/43/382482043.db2.gz MYQCCPFJFMVHLL-UHFFFAOYSA-N 1 0 283.397 2.620 20 5 CFBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358174075 382486155 /nfs/dbraw/zinc/48/61/55/382486155.db2.gz WOXMDAOXVKTIBT-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO CC1=CCN(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000358237024 382520830 /nfs/dbraw/zinc/52/08/30/382520830.db2.gz ZPJMQTLSTKSQHZ-CQSZACIVSA-N 1 0 289.379 2.897 20 5 CFBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000312796003 382517617 /nfs/dbraw/zinc/51/76/17/382517617.db2.gz JSTZXWUJSYQXNX-UHFFFAOYSA-N 1 0 282.315 2.783 20 5 CFBDRO CCC1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358276548 382542004 /nfs/dbraw/zinc/54/20/04/382542004.db2.gz QSXCYRAPCVDFRX-UHFFFAOYSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(CC[NH3+])Cc1ccccc1 ZINC000346853766 382545560 /nfs/dbraw/zinc/54/55/60/382545560.db2.gz MRGPAXHDLXIRJD-UHFFFAOYSA-N 1 0 299.374 2.864 20 5 CFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791487 382576472 /nfs/dbraw/zinc/57/64/72/382576472.db2.gz NMQVWRXHWXFCGZ-BXUZGUMPSA-N 1 0 298.770 2.841 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189152460 382555355 /nfs/dbraw/zinc/55/53/55/382555355.db2.gz DXQSUNNJGRRPJD-MRXNPFEDSA-N 1 0 290.363 2.986 20 5 CFBDRO CC1(C)OCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000295231733 382594731 /nfs/dbraw/zinc/59/47/31/382594731.db2.gz OJMLJXHXFSSXBX-CQSZACIVSA-N 1 0 294.351 2.521 20 5 CFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000387633990 382600594 /nfs/dbraw/zinc/60/05/94/382600594.db2.gz GKHWSIWALQQCSL-GFCCVEGCSA-N 1 0 293.367 2.866 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000388376035 382606659 /nfs/dbraw/zinc/60/66/59/382606659.db2.gz ZKJMXGBDXPVAOZ-ZUZCIYMTSA-N 1 0 294.351 2.507 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000189571402 382625663 /nfs/dbraw/zinc/62/56/63/382625663.db2.gz BUPHKUUDJCUDDN-AWEZNQCLSA-N 1 0 278.352 2.639 20 5 CFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353755640 382626789 /nfs/dbraw/zinc/62/67/89/382626789.db2.gz TUSBMWHUSFRPDJ-AAEUAGOBSA-N 1 0 297.424 2.961 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189680921 382634874 /nfs/dbraw/zinc/63/48/74/382634874.db2.gz ITMKJMZKNDOKIS-JTQLQIEISA-N 1 0 286.401 2.974 20 5 CFBDRO C[C@H]([NH2+]Cc1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000346938424 382578506 /nfs/dbraw/zinc/57/85/06/382578506.db2.gz HFWDMLVEXXVGDF-JTQLQIEISA-N 1 0 275.283 2.980 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000189861822 382643073 /nfs/dbraw/zinc/64/30/73/382643073.db2.gz AIUZRYUUOSBJGD-JTQLQIEISA-N 1 0 288.294 2.836 20 5 CFBDRO CCN(CCC[NH+]1CCCC1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000190974937 382687155 /nfs/dbraw/zinc/68/71/55/382687155.db2.gz VRYKHPRPLSKPFG-UHFFFAOYSA-N 1 0 292.383 2.610 20 5 CFBDRO C[C@@H]1CC[C@H](CN(C)Cc2ccccc2[N+](=O)[O-])O1 ZINC000190312226 382661579 /nfs/dbraw/zinc/66/15/79/382661579.db2.gz KQEBMTMTFIBJKL-DGCLKSJQSA-N 1 0 264.325 2.594 20 5 CFBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000190946350 382686005 /nfs/dbraw/zinc/68/60/05/382686005.db2.gz ZWWWHTOOPQKMPX-CHWSQXEVSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000189683318 382635240 /nfs/dbraw/zinc/63/52/40/382635240.db2.gz ZGURZXMJRWWPSD-JTQLQIEISA-N 1 0 284.385 2.585 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192857755 382712963 /nfs/dbraw/zinc/71/29/63/382712963.db2.gz QAYITDKXFFLWBX-CVEARBPZSA-N 1 0 292.379 2.969 20 5 CFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193300866 382718371 /nfs/dbraw/zinc/71/83/71/382718371.db2.gz KSFBXGKIDFNVIX-VMDGIJPJSA-N 1 0 290.363 2.889 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193333725 382718738 /nfs/dbraw/zinc/71/87/38/382718738.db2.gz WZZHGXDOUZOYKS-HZMBPMFUSA-N 1 0 264.325 2.597 20 5 CFBDRO CSC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000193650393 382722031 /nfs/dbraw/zinc/72/20/31/382722031.db2.gz TVWQFOVVNJEJPV-UHFFFAOYSA-N 1 0 266.366 2.970 20 5 CFBDRO COC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000336828956 382725478 /nfs/dbraw/zinc/72/54/78/382725478.db2.gz BBDDFKMJKRKZOQ-UHFFFAOYSA-N 1 0 282.315 2.783 20 5 CFBDRO CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336830206 382725879 /nfs/dbraw/zinc/72/58/79/382725879.db2.gz FXPFZSWKXWGNNU-LSDHHAIUSA-N 1 0 278.352 2.797 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193967469 382731389 /nfs/dbraw/zinc/73/13/89/382731389.db2.gz ZNWMYCFDRKRCKE-PHIMTYICSA-N 1 0 291.307 2.735 20 5 CFBDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000336846960 382734150 /nfs/dbraw/zinc/73/41/50/382734150.db2.gz CFLZGSYDTVFIGG-JSGCOSHPSA-N 1 0 296.367 2.605 20 5 CFBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000195507564 382768281 /nfs/dbraw/zinc/76/82/81/382768281.db2.gz BESPSJWNRURFNJ-JTQLQIEISA-N 1 0 286.401 2.830 20 5 CFBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000216573279 382784106 /nfs/dbraw/zinc/78/41/06/382784106.db2.gz KZAHOOYGVLVGAJ-STQMWFEESA-N 1 0 261.325 2.634 20 5 CFBDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000219182995 382792514 /nfs/dbraw/zinc/79/25/14/382792514.db2.gz OUUIOTXTPKCVMN-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO COc1ccc(C[NH2+]CCCCOC(C)C)cc1[N+](=O)[O-] ZINC000228563998 382847983 /nfs/dbraw/zinc/84/79/83/382847983.db2.gz OFMROCUYRGAVOH-UHFFFAOYSA-N 1 0 296.367 2.898 20 5 CFBDRO O=[N+]([O-])c1cccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000220363088 382795818 /nfs/dbraw/zinc/79/58/18/382795818.db2.gz GEBJYNNBTPBDMC-AWEZNQCLSA-N 1 0 289.379 2.559 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000575805911 382799624 /nfs/dbraw/zinc/79/96/24/382799624.db2.gz PMXKCBBTXURTHV-HOCLYGCPSA-N 1 0 292.379 2.620 20 5 CFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227345295 382836261 /nfs/dbraw/zinc/83/62/61/382836261.db2.gz LJPFKPSOZMOUCI-UHFFFAOYSA-N 1 0 286.759 2.887 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441384685 382912617 /nfs/dbraw/zinc/91/26/17/382912617.db2.gz MYZLJGMBAQVJOB-LBPRGKRZSA-N 1 0 294.351 2.857 20 5 CFBDRO COc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000441343662 382909006 /nfs/dbraw/zinc/90/90/06/382909006.db2.gz WJXFGGDKQKWRIY-YPMHNXCESA-N 1 0 294.351 2.603 20 5 CFBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000230692936 382862792 /nfs/dbraw/zinc/86/27/92/382862792.db2.gz QZLYVHOSWPHJKG-SNVBAGLBSA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC2CCCC2)cs1 ZINC000337782478 382864474 /nfs/dbraw/zinc/86/44/74/382864474.db2.gz BZQYJNBNKVICFM-GFCCVEGCSA-N 1 0 284.381 2.687 20 5 CFBDRO CN(C)C(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648196 382866802 /nfs/dbraw/zinc/86/68/02/382866802.db2.gz CFVBVKXJHZKYJS-ZDUSSCGKSA-N 1 0 277.368 2.512 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000233735343 382871801 /nfs/dbraw/zinc/87/18/01/382871801.db2.gz KYNCSSVCEXRYRI-CYBMUJFWSA-N 1 0 284.331 2.885 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CCCO ZINC000577976748 382878845 /nfs/dbraw/zinc/87/88/45/382878845.db2.gz NRRHORXONQJBRN-DGCLKSJQSA-N 1 0 280.368 2.962 20 5 CFBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578174779 382896014 /nfs/dbraw/zinc/89/60/14/382896014.db2.gz LKIDHEXLHJUFCU-NEPJUHHUSA-N 1 0 288.351 2.995 20 5 CFBDRO Cc1nccnc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578786478 382955419 /nfs/dbraw/zinc/95/54/19/382955419.db2.gz LHMMEWUDRGBSSD-OAHLLOKOSA-N 1 0 298.346 2.513 20 5 CFBDRO C[C@@H]1C[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000548772549 382980363 /nfs/dbraw/zinc/98/03/63/382980363.db2.gz FZCFHMIGMHPTRC-CHWSQXEVSA-N 1 0 290.363 2.768 20 5 CFBDRO CC(C)COCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548849401 382987344 /nfs/dbraw/zinc/98/73/44/382987344.db2.gz UWQYUCKRQZEVHA-UHFFFAOYSA-N 1 0 278.352 2.626 20 5 CFBDRO COC(C)(C)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345232 382998014 /nfs/dbraw/zinc/99/80/14/382998014.db2.gz GMBXGDXCWGOOGS-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245931829 383050453 /nfs/dbraw/zinc/05/04/53/383050453.db2.gz ZMCVCYUBEFTMMX-KGLIPLIRSA-N 1 0 291.395 2.929 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383269 383076508 /nfs/dbraw/zinc/07/65/08/383076508.db2.gz PLIMCSVQNRXDFF-WXHSDQCUSA-N 1 0 277.368 2.694 20 5 CFBDRO O=[N+]([O-])c1sccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000590135998 383121196 /nfs/dbraw/zinc/12/11/96/383121196.db2.gz RRKRLSHTMRHRQG-NSHDSACASA-N 1 0 281.381 2.578 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1=CCCOC1 ZINC000554066964 383123674 /nfs/dbraw/zinc/12/36/74/383123674.db2.gz IVVILZPQKXZHKA-GFCCVEGCSA-N 1 0 276.336 2.901 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000338974804 383105627 /nfs/dbraw/zinc/10/56/27/383105627.db2.gz UKJBYXFXYBATNK-GFCCVEGCSA-N 1 0 266.341 2.950 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000423468799 383107608 /nfs/dbraw/zinc/10/76/08/383107608.db2.gz FTHFHJBQGLJLJT-GWCFXTLKSA-N 1 0 299.321 2.551 20 5 CFBDRO CC(C)n1cncc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000424139847 383187940 /nfs/dbraw/zinc/18/79/40/383187940.db2.gz FOSOSTYBBKEPFQ-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc[nH]c(=O)c1 ZINC000339453338 383203295 /nfs/dbraw/zinc/20/32/95/383203295.db2.gz GQCDWMDMQLDJHB-SECBINFHSA-N 1 0 291.282 2.685 20 5 CFBDRO CCN(CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449077627 383164378 /nfs/dbraw/zinc/16/43/78/383164378.db2.gz WESYGENVIZCDQA-UONOGXRCSA-N 1 0 293.411 2.846 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339581856 383251867 /nfs/dbraw/zinc/25/18/67/383251867.db2.gz DLKJLLBLTLFMRY-VXGBXAGGSA-N 1 0 252.289 2.883 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339618588 383263827 /nfs/dbraw/zinc/26/38/27/383263827.db2.gz HBAOWAMQMWTZIL-HZSPNIEDSA-N 1 0 291.395 2.989 20 5 CFBDRO COCC1(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000520610223 383266416 /nfs/dbraw/zinc/26/64/16/383266416.db2.gz RKTKHGLTNBXCKJ-CQSZACIVSA-N 1 0 290.363 2.988 20 5 CFBDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000422951745 532976808 /nfs/dbraw/zinc/97/68/08/532976808.db2.gz ZZUHBMTXDJMMMM-CZUORRHYSA-N 1 0 299.374 2.643 20 5 CFBDRO CC(C)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339506091 383222202 /nfs/dbraw/zinc/22/22/02/383222202.db2.gz BJBOWARJBFVEJX-UHFFFAOYSA-N 1 0 291.351 2.702 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCF ZINC000449336924 383225854 /nfs/dbraw/zinc/22/58/54/383225854.db2.gz PONADBAFPFYRPN-NSHDSACASA-N 1 0 254.305 2.865 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCF ZINC000449336923 383226579 /nfs/dbraw/zinc/22/65/79/383226579.db2.gz PONADBAFPFYRPN-LLVKDONJSA-N 1 0 254.305 2.865 20 5 CFBDRO C[C@H](F)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449343075 383228579 /nfs/dbraw/zinc/22/85/79/383228579.db2.gz HMWMVTAGDDHZEB-QWRGUYRKSA-N 1 0 254.305 2.864 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519834047 383240728 /nfs/dbraw/zinc/24/07/28/383240728.db2.gz RSEXXKRXPQLIEI-GWCFXTLKSA-N 1 0 278.352 2.721 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000449503522 383340410 /nfs/dbraw/zinc/34/04/10/383340410.db2.gz UFVCNIBRSTYYOF-ZDUSSCGKSA-N 1 0 286.335 2.698 20 5 CFBDRO COc1ccc(C[NH2+]C2(CF)CCC2)cc1[N+](=O)[O-] ZINC000521624688 383302120 /nfs/dbraw/zinc/30/21/20/383302120.db2.gz GKAXQMOZYBKEIH-UHFFFAOYSA-N 1 0 268.288 2.585 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000252220656 383405841 /nfs/dbraw/zinc/40/58/41/383405841.db2.gz YYILLUDXOMWJBE-NWDGAFQWSA-N 1 0 291.351 2.654 20 5 CFBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000249739091 383359223 /nfs/dbraw/zinc/35/92/23/383359223.db2.gz HPCCKKCGISOPCP-SDDRHHMPSA-N 1 0 293.367 2.946 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)ccc1Cl ZINC000249852632 383364427 /nfs/dbraw/zinc/36/44/27/383364427.db2.gz PQOCRRDXFSUHAD-ZKYQVNSYSA-N 1 0 296.754 2.905 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCCO1 ZINC000340474576 383433383 /nfs/dbraw/zinc/43/33/83/383433383.db2.gz SLMCINPJMUCNHJ-IUODEOHRSA-N 1 0 278.352 2.685 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000568879005 383446205 /nfs/dbraw/zinc/44/62/05/383446205.db2.gz DBBGLDUBMLDRKF-LZWOXQAQSA-N 1 0 288.347 2.739 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253195999 383447467 /nfs/dbraw/zinc/44/74/67/383447467.db2.gz SEYIPTPMYNOWLA-FRRDWIJNSA-N 1 0 277.368 2.573 20 5 CFBDRO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000450543717 383454201 /nfs/dbraw/zinc/45/42/01/383454201.db2.gz ZMDBWLQLVAWWRH-LLVKDONJSA-N 1 0 288.351 2.753 20 5 CFBDRO C[C@H]1C[NH+](CCCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253604420 383465394 /nfs/dbraw/zinc/46/53/94/383465394.db2.gz VJBDJXKGQHWHAT-STQMWFEESA-N 1 0 293.367 2.506 20 5 CFBDRO CC(C)(O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000428409347 383467106 /nfs/dbraw/zinc/46/71/06/383467106.db2.gz MJQRPKFYDIDJLN-ALCCZGGFSA-N 1 0 290.363 2.843 20 5 CFBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000255114714 383476066 /nfs/dbraw/zinc/47/60/66/383476066.db2.gz JEBOHKIHTLCRFF-ZBKLQPJUSA-N 1 0 276.336 2.719 20 5 CFBDRO C[NH+](C)CCSc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488072341 383492798 /nfs/dbraw/zinc/49/27/98/383492798.db2.gz FBILGIAVWVMBGS-UHFFFAOYSA-N 1 0 277.349 2.797 20 5 CFBDRO CC(C)[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488098698 383495684 /nfs/dbraw/zinc/49/56/84/383495684.db2.gz WKFZQTIYJISRLY-XJKSGUPXSA-N 1 0 291.395 2.928 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429301987 383517110 /nfs/dbraw/zinc/51/71/10/383517110.db2.gz PRMRMOPJTICOKR-CYBMUJFWSA-N 1 0 284.315 2.557 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429467070 383535350 /nfs/dbraw/zinc/53/53/50/383535350.db2.gz ZOADSZZWQYIVLN-MWLCHTKSSA-N 1 0 288.294 2.570 20 5 CFBDRO Cc1sc(-c2nc(C3([NH3+])CCCC3)no2)cc1[N+](=O)[O-] ZINC000261648779 383536852 /nfs/dbraw/zinc/53/68/52/383536852.db2.gz DTAQHITTYFMFMN-UHFFFAOYSA-N 1 0 294.336 2.743 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000570283985 383590785 /nfs/dbraw/zinc/59/07/85/383590785.db2.gz XWSZPNFEIXSVPV-LSDHHAIUSA-N 1 0 292.379 2.931 20 5 CFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489497524 383625276 /nfs/dbraw/zinc/62/52/76/383625276.db2.gz KVROQWVDCPRMEM-CYBMUJFWSA-N 1 0 264.325 2.704 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451645721 383674287 /nfs/dbraw/zinc/67/42/87/383674287.db2.gz FYRSTWHUABJGJY-CQSZACIVSA-N 1 0 278.377 2.922 20 5 CFBDRO Cc1nn(C)c(Nc2ccc(N(C)C)cc2C)c1[N+](=O)[O-] ZINC000265144885 383843390 /nfs/dbraw/zinc/84/33/90/383843390.db2.gz RGTRTPRQWAJUSM-UHFFFAOYSA-N 1 0 289.339 2.755 20 5 CFBDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573020856 383860232 /nfs/dbraw/zinc/86/02/32/383860232.db2.gz XELLNOTUIDZQHA-CYBMUJFWSA-N 1 0 292.379 2.969 20 5 CFBDRO Cc1ccc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000453595929 383865399 /nfs/dbraw/zinc/86/53/99/383865399.db2.gz FPQRNFJRSPEGLN-UHFFFAOYSA-N 1 0 285.347 2.939 20 5 CFBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000265104983 383833066 /nfs/dbraw/zinc/83/30/66/383833066.db2.gz AKVRAIRIQMHWQG-CQSZACIVSA-N 1 0 292.360 2.654 20 5 CFBDRO COC1([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412027265 533017554 /nfs/dbraw/zinc/01/75/54/533017554.db2.gz VJEINHKQKBGBKG-GFCCVEGCSA-N 1 0 278.352 2.685 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453628454 383891302 /nfs/dbraw/zinc/89/13/02/383891302.db2.gz JQSLMMILWRUKNP-RISCZKNCSA-N 1 0 264.325 2.560 20 5 CFBDRO Cc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438353365 383990264 /nfs/dbraw/zinc/99/02/64/383990264.db2.gz DLLASZCSLXQUHI-AVGNSLFASA-N 1 0 278.352 2.901 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000265559864 383945495 /nfs/dbraw/zinc/94/54/95/383945495.db2.gz SDCLUONARSURTD-VXGBXAGGSA-N 1 0 296.758 2.682 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CCN(CCOCC1CCC1)C2 ZINC000573701716 383977487 /nfs/dbraw/zinc/97/74/87/383977487.db2.gz GQNWRIVZOIOMCI-UHFFFAOYSA-N 1 0 290.363 2.770 20 5 CFBDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532532425 384043383 /nfs/dbraw/zinc/04/33/83/384043383.db2.gz HIXLMQHYYJILIT-QWHCGFSZSA-N 1 0 277.368 2.587 20 5 CFBDRO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000266289128 384138056 /nfs/dbraw/zinc/13/80/56/384138056.db2.gz WDFWJOUYWPZEBQ-GHMZBOCLSA-N 1 0 281.331 2.653 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)CC1CCC1 ZINC000574703428 384137695 /nfs/dbraw/zinc/13/76/95/384137695.db2.gz MTQFNVYAORHPGQ-SWLSCSKDSA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000171831375 285089454 /nfs/dbraw/zinc/08/94/54/285089454.db2.gz QWPQZLNMWSEXCA-UHFFFAOYSA-N 1 0 295.770 2.923 20 5 CFBDRO Cc1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277193827 384227727 /nfs/dbraw/zinc/22/77/27/384227727.db2.gz OXKCXCFJQTVLAN-ZDUSSCGKSA-N 1 0 277.368 2.824 20 5 CFBDRO C[C@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266915199 384260570 /nfs/dbraw/zinc/26/05/70/384260570.db2.gz MRNXMSPRIYRJCN-CYBMUJFWSA-N 1 0 288.351 2.527 20 5 CFBDRO C[C@@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267032576 384283907 /nfs/dbraw/zinc/28/39/07/384283907.db2.gz BNDCKHKYYSTRLG-ZDUSSCGKSA-N 1 0 288.351 2.527 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000363618430 285113074 /nfs/dbraw/zinc/11/30/74/285113074.db2.gz FUGDMOSHKPKKEP-INIZCTEOSA-N 1 0 289.379 2.655 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000289401047 197330125 /nfs/dbraw/zinc/33/01/25/197330125.db2.gz KZFRDKQYYAPLDW-GDBMZVCRSA-N 1 0 290.363 2.750 20 5 CFBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289385028 197322381 /nfs/dbraw/zinc/32/23/81/197322381.db2.gz DAJGKNMOXBQUOP-NSHDSACASA-N 1 0 290.319 2.667 20 5 CFBDRO C[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289383847 197322190 /nfs/dbraw/zinc/32/21/90/197322190.db2.gz CXQDHFAMAIIRTO-LLVKDONJSA-N 1 0 290.319 2.667 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000353075426 220304318 /nfs/dbraw/zinc/30/43/18/220304318.db2.gz XTWNAKZQQCTRGX-LLVKDONJSA-N 1 0 285.413 2.866 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC12CCOCC2 ZINC000368577035 285118002 /nfs/dbraw/zinc/11/80/02/285118002.db2.gz RTCMUUSFEMHNFJ-UHFFFAOYSA-N 1 0 294.326 2.879 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279402810 384627355 /nfs/dbraw/zinc/62/73/55/384627355.db2.gz ZRYJMKVRXFIWOM-COPLHBTASA-N 1 0 291.351 2.700 20 5 CFBDRO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662466 384825319 /nfs/dbraw/zinc/82/53/19/384825319.db2.gz KPEPEULEBSFPLS-SMDDNHRTSA-N 1 0 266.341 2.605 20 5 CFBDRO CC(C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269664895 384827443 /nfs/dbraw/zinc/82/74/43/384827443.db2.gz ROCNPTQNPUCVGQ-HNNXBMFYSA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CC(F)(F)C1)CC2 ZINC000334620441 285142101 /nfs/dbraw/zinc/14/21/01/285142101.db2.gz NNNNWIGPSZTDFT-UHFFFAOYSA-N 1 0 282.290 2.998 20 5 CFBDRO C[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000270335017 385061062 /nfs/dbraw/zinc/06/10/62/385061062.db2.gz YERISFFTPFNSDI-DZGCQCFKSA-N 1 0 298.346 2.847 20 5 CFBDRO COCc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000270259200 385033213 /nfs/dbraw/zinc/03/32/13/385033213.db2.gz HVBNDCJPUZUHOP-UHFFFAOYSA-N 1 0 290.319 2.667 20 5 CFBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCO2)C2CC2)c1 ZINC000153331332 285153293 /nfs/dbraw/zinc/15/32/93/285153293.db2.gz FFNAGLUQEYCDOZ-OAHLLOKOSA-N 1 0 276.336 2.738 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441632778 285155540 /nfs/dbraw/zinc/15/55/40/285155540.db2.gz GDTYAWZIRBPKSL-NEPJUHHUSA-N 1 0 294.326 2.592 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000493236591 285154199 /nfs/dbraw/zinc/15/41/99/285154199.db2.gz KJEUANWDRKWPCL-NSHDSACASA-N 1 0 295.770 2.528 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCF ZINC000280966080 285161374 /nfs/dbraw/zinc/16/13/74/285161374.db2.gz IEADRMODQJKFAL-WCQYABFASA-N 1 0 266.316 2.865 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282356525 385290459 /nfs/dbraw/zinc/29/04/59/385290459.db2.gz CXOBXZODMIDWEJ-UHFFFAOYSA-N 1 0 266.341 2.626 20 5 CFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000271070990 385327706 /nfs/dbraw/zinc/32/77/06/385327706.db2.gz FBJKZUXXPSOBPP-JTQLQIEISA-N 1 0 277.349 2.945 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC=CCC2)n1 ZINC000447573919 285168882 /nfs/dbraw/zinc/16/88/82/285168882.db2.gz JPEGNCDBMMBGSK-BFHYXJOUSA-N 1 0 290.367 2.973 20 5 CFBDRO COCC[C@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000353648887 285169254 /nfs/dbraw/zinc/16/92/54/285169254.db2.gz MJNXGSWSHUKSBP-CHWSQXEVSA-N 1 0 296.367 2.605 20 5 CFBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000283189847 385444708 /nfs/dbraw/zinc/44/47/08/385444708.db2.gz FRHDPBWRGBIBHW-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCO[C@@H]1C1CC1 ZINC000283238699 385449073 /nfs/dbraw/zinc/44/90/73/385449073.db2.gz UPDGVDWTSKCREJ-HUUCEWRRSA-N 1 0 294.326 2.781 20 5 CFBDRO CO[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272296524 385501693 /nfs/dbraw/zinc/50/16/93/385501693.db2.gz HUANZGIUTHYBKQ-YPMHNXCESA-N 1 0 264.325 2.685 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000272597309 385572094 /nfs/dbraw/zinc/57/20/94/385572094.db2.gz UOBTWGWMIKLMJU-GDBMZVCRSA-N 1 0 292.379 2.620 20 5 CFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000272623672 385578460 /nfs/dbraw/zinc/57/84/60/385578460.db2.gz YVDTVOSWCVQGBU-NEPJUHHUSA-N 1 0 284.381 2.639 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272700837 385591418 /nfs/dbraw/zinc/59/14/18/385591418.db2.gz YNKLICUOUOEXIJ-VHSXEESVSA-N 1 0 286.759 2.804 20 5 CFBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000286399399 385609039 /nfs/dbraw/zinc/60/90/39/385609039.db2.gz NXAHAWZDGRNDGY-GFCCVEGCSA-N 1 0 292.383 2.711 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272866513 385636021 /nfs/dbraw/zinc/63/60/21/385636021.db2.gz YPKMLSJKUSIKNF-WDEREUQCSA-N 1 0 252.314 2.623 20 5 CFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000288716146 197150843 /nfs/dbraw/zinc/15/08/43/197150843.db2.gz FRCPYVMDXMVAGT-HNNXBMFYSA-N 1 0 278.352 2.579 20 5 CFBDRO COCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000272883593 385640041 /nfs/dbraw/zinc/64/00/41/385640041.db2.gz WENFYPVXUUEIRE-UHFFFAOYSA-N 1 0 275.308 2.534 20 5 CFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281199992 195145205 /nfs/dbraw/zinc/14/52/05/195145205.db2.gz ALWNKTXLJWVTHX-OAHLLOKOSA-N 1 0 278.352 2.638 20 5 CFBDRO CC(C)(O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274818334 385877320 /nfs/dbraw/zinc/87/73/20/385877320.db2.gz XIEHAHPRSLGANT-AWEZNQCLSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277011672 386107789 /nfs/dbraw/zinc/10/77/89/386107789.db2.gz KAEGOMSUVPWSBP-UHFFFAOYSA-N 1 0 299.330 2.562 20 5 CFBDRO COC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000276941792 386086258 /nfs/dbraw/zinc/08/62/58/386086258.db2.gz HCFCFYUXYPLBSZ-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO CCOc1cc(C[N@H+](CC)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000276956729 386091777 /nfs/dbraw/zinc/09/17/77/386091777.db2.gz UZQFNZIJRYRYBD-UHFFFAOYSA-N 1 0 296.367 2.586 20 5 CFBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000281212401 195151610 /nfs/dbraw/zinc/15/16/10/195151610.db2.gz SSFUWUDQJDSOJK-BXUZGUMPSA-N 1 0 278.352 2.797 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425342400 533221976 /nfs/dbraw/zinc/22/19/76/533221976.db2.gz HDYGCCTWYKYUIM-DGCLKSJQSA-N 1 0 282.365 2.587 20 5 CFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000282142861 195519029 /nfs/dbraw/zinc/51/90/29/195519029.db2.gz SAIZPKQAPWRNNT-DGCLKSJQSA-N 1 0 294.351 2.760 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283584562 195883224 /nfs/dbraw/zinc/88/32/24/195883224.db2.gz RLVKPAVUVFCETC-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283856645 195932258 /nfs/dbraw/zinc/93/22/58/195932258.db2.gz BJAXXZSSAZPGLA-SECBINFHSA-N 1 0 283.397 2.969 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C(C)(C)O)C1 ZINC000459611661 533382433 /nfs/dbraw/zinc/38/24/33/533382433.db2.gz OPMOECSQHZOLBS-GHXNOFRVSA-N 1 0 290.363 2.701 20 5 CFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC1(C)C ZINC000425994885 533471098 /nfs/dbraw/zinc/47/10/98/533471098.db2.gz ITQCZFNLQIJIFH-KOLCDFICSA-N 1 0 288.351 2.995 20 5 CFBDRO CC[C@@H]([NH2+]CCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228028266 130859997 /nfs/dbraw/zinc/85/99/97/130859997.db2.gz BMBCFCFDGDZGON-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO COCCC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230863312 130908847 /nfs/dbraw/zinc/90/88/47/130908847.db2.gz COOAGTCQTCAZEI-UHFFFAOYSA-N 1 0 266.341 2.747 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000267277467 131847261 /nfs/dbraw/zinc/84/72/61/131847261.db2.gz OAZJFGANFKQPOI-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO Cc1nc(N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000268535346 132023062 /nfs/dbraw/zinc/02/30/62/132023062.db2.gz YEGWSCFAAJLRJT-CYBMUJFWSA-N 1 0 292.383 2.609 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCOCC2CC2)cccc1[N+](=O)[O-] ZINC000268945606 132092156 /nfs/dbraw/zinc/09/21/56/132092156.db2.gz UEPVBGLUQYZHLG-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2csc([N+](=O)[O-])c2)C1 ZINC000269134569 132118231 /nfs/dbraw/zinc/11/82/31/132118231.db2.gz PCAFIPUUGWFIAR-OLZOCXBDSA-N 1 0 295.408 2.572 20 5 CFBDRO CC(C)C[C@@H](CNCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000020201781 393485314 /nfs/dbraw/zinc/48/53/14/393485314.db2.gz MASJIZFINKCEFO-AWEZNQCLSA-N 1 0 279.384 2.661 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000183256685 393518603 /nfs/dbraw/zinc/51/86/03/393518603.db2.gz KLKVSCNFEUEBDG-CYBMUJFWSA-N 1 0 266.366 2.841 20 5 CFBDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037177063 393529350 /nfs/dbraw/zinc/52/93/50/393529350.db2.gz VPJXPJSREFAVNX-NSHDSACASA-N 1 0 265.357 2.586 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000184742270 393530636 /nfs/dbraw/zinc/53/06/36/393530636.db2.gz QPODYMVGCPWEEG-MRXNPFEDSA-N 1 0 291.395 2.675 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCOCC2CC2)cs1 ZINC000037562648 393532189 /nfs/dbraw/zinc/53/21/89/393532189.db2.gz KODUMZIGRMMHLL-UHFFFAOYSA-N 1 0 270.354 2.563 20 5 CFBDRO CC(C)C[C@@H](C[NH+](C)C)NCc1csc([N+](=O)[O-])c1 ZINC000037563138 393534352 /nfs/dbraw/zinc/53/43/52/393534352.db2.gz CKKMWHZYIYXJHZ-LBPRGKRZSA-N 1 0 285.413 2.722 20 5 CFBDRO COC[C@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192739705 393631296 /nfs/dbraw/zinc/63/12/96/393631296.db2.gz IAMYWCACZOVLIK-ABAIWWIYSA-N 1 0 278.352 2.844 20 5 CFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000411682642 393738612 /nfs/dbraw/zinc/73/86/12/393738612.db2.gz GDXFGQZHTPKZJU-ZDUSSCGKSA-N 1 0 291.351 2.654 20 5 CFBDRO CC(C)([NH2+]CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000411755212 393745740 /nfs/dbraw/zinc/74/57/40/393745740.db2.gz GSJJZDIJRCUQEM-UHFFFAOYSA-N 1 0 278.352 2.725 20 5 CFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000076571670 393689260 /nfs/dbraw/zinc/68/92/60/393689260.db2.gz TUWAWLSNNYTQJO-UHFFFAOYSA-N 1 0 260.293 2.862 20 5 CFBDRO CSCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000076764957 393692666 /nfs/dbraw/zinc/69/26/66/393692666.db2.gz RSJPEUVSNGLZJX-UHFFFAOYSA-N 1 0 254.355 2.828 20 5 CFBDRO Cc1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c(C)n1 ZINC000195048830 393729622 /nfs/dbraw/zinc/72/96/22/393729622.db2.gz MWKGDSJMSBKNDV-UHFFFAOYSA-N 1 0 272.308 2.729 20 5 CFBDRO Cc1c(CN2CCCC[C@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000227035911 393771808 /nfs/dbraw/zinc/77/18/08/393771808.db2.gz HOAXCUVNBDHESY-WFASDCNBSA-N 1 0 277.368 2.605 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC[C@H](C)O ZINC000245522695 393813480 /nfs/dbraw/zinc/81/34/80/393813480.db2.gz LYZIVBWBHWZECW-NWDGAFQWSA-N 1 0 266.341 2.667 20 5 CFBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000425424771 393879137 /nfs/dbraw/zinc/87/91/37/393879137.db2.gz SRTQJAXASVMDGF-MRXNPFEDSA-N 1 0 290.363 2.984 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111049258 393883723 /nfs/dbraw/zinc/88/37/23/393883723.db2.gz NVSWPXUTPCTBJB-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO COCCN(Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000103466604 393856670 /nfs/dbraw/zinc/85/66/70/393856670.db2.gz ZAJUHZVTSUMOAX-UHFFFAOYSA-N 1 0 284.331 2.838 20 5 CFBDRO CC(C)c1ccc(CNC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000121195341 393951404 /nfs/dbraw/zinc/95/14/04/393951404.db2.gz YDGPJLJVJXSGPX-UHFFFAOYSA-N 1 0 291.395 2.902 20 5 CFBDRO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000121591911 393957422 /nfs/dbraw/zinc/95/74/22/393957422.db2.gz IROZPDDYHHMLGY-UHFFFAOYSA-N 1 0 285.303 2.788 20 5 CFBDRO CC(C)([NH2+]CC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000430118480 393959848 /nfs/dbraw/zinc/95/98/48/393959848.db2.gz FFCKRCSJUCPEMN-GFCCVEGCSA-N 1 0 278.352 2.846 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000122038233 393963423 /nfs/dbraw/zinc/96/34/23/393963423.db2.gz QASYKWGSQANPGV-LBPRGKRZSA-N 1 0 266.366 2.888 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000430217664 393969882 /nfs/dbraw/zinc/96/98/82/393969882.db2.gz KBKVPFXFIHTZRB-FZMZJTMJSA-N 1 0 276.336 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000430217662 393969927 /nfs/dbraw/zinc/96/99/27/393969927.db2.gz KBKVPFXFIHTZRB-BXUZGUMPSA-N 1 0 276.336 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000430236069 393971750 /nfs/dbraw/zinc/97/17/50/393971750.db2.gz MTKYATFLEABBMK-OAHLLOKOSA-N 1 0 294.351 2.604 20 5 CFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128823 393976164 /nfs/dbraw/zinc/97/61/64/393976164.db2.gz WWMWOOSYSXACEW-TZMCWYRMSA-N 1 0 280.372 2.692 20 5 CFBDRO COC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487186230 393987499 /nfs/dbraw/zinc/98/74/99/393987499.db2.gz NAYWJYAIMUDOLZ-QMMMGPOBSA-N 1 0 292.257 2.738 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000269061580 394000846 /nfs/dbraw/zinc/00/08/46/394000846.db2.gz UGSWFJAKGSPCMU-BXUZGUMPSA-N 1 0 290.319 2.880 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000351490445 394004036 /nfs/dbraw/zinc/00/40/36/394004036.db2.gz FEGZDJBKJARFRU-NSHDSACASA-N 1 0 296.342 2.859 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000125699231 394011511 /nfs/dbraw/zinc/01/15/11/394011511.db2.gz DBXQVINPETYJLU-JTQLQIEISA-N 1 0 275.308 2.968 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(N(C)C)CC1 ZINC000418118073 394013839 /nfs/dbraw/zinc/01/38/39/394013839.db2.gz VDCFXMQOLWHREO-UKTHLTGXSA-N 1 0 289.379 2.682 20 5 CFBDRO CC(C)C1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000433154827 394014584 /nfs/dbraw/zinc/01/45/84/394014584.db2.gz CCAMBVHRJNBVJM-UHFFFAOYSA-N 1 0 294.399 2.938 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277027541 394053861 /nfs/dbraw/zinc/05/38/61/394053861.db2.gz AVLKRBRGFMPYTQ-AWEZNQCLSA-N 1 0 277.368 2.511 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cccc1[N+](=O)[O-] ZINC000358291773 394101541 /nfs/dbraw/zinc/10/15/41/394101541.db2.gz GPBLGBBEGZWVOV-QARYCYADSA-N 1 0 298.408 2.711 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130196868 394105544 /nfs/dbraw/zinc/10/55/44/394105544.db2.gz LSEDDCAWAFZXTK-NFAWXSAZSA-N 1 0 292.379 2.667 20 5 CFBDRO C[NH2+][C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420248388 394104878 /nfs/dbraw/zinc/10/48/78/394104878.db2.gz VZSLANLKLLAVKD-QMMMGPOBSA-N 1 0 291.273 2.942 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000420216609 394097333 /nfs/dbraw/zinc/09/73/33/394097333.db2.gz WZEFOAAVKHMBNN-LBPRGKRZSA-N 1 0 293.367 2.543 20 5 CFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420272137 394111792 /nfs/dbraw/zinc/11/17/92/394111792.db2.gz CYRNLICUOPIGKE-WDEREUQCSA-N 1 0 279.340 2.533 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000420273669 394111876 /nfs/dbraw/zinc/11/18/76/394111876.db2.gz FBPCDZBOIATGLS-SCZZXKLOSA-N 1 0 284.747 2.573 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049832 394144363 /nfs/dbraw/zinc/14/43/63/394144363.db2.gz HFNIZXFLBUITFT-WDEREUQCSA-N 1 0 281.331 2.571 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)CC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360090927 394145441 /nfs/dbraw/zinc/14/54/41/394145441.db2.gz RURYNKKLNBOCHP-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO C[C@@H]1C[C@@H](CO)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421366809 394204299 /nfs/dbraw/zinc/20/42/99/394204299.db2.gz VTJRGTJISFICHP-IOKDEZFASA-N 1 0 290.363 2.558 20 5 CFBDRO CC[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421379498 394210801 /nfs/dbraw/zinc/21/08/01/394210801.db2.gz LGOGGAXPEFLJFW-RYUDHWBXSA-N 1 0 293.367 2.948 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCC1CC1 ZINC000135287036 394215872 /nfs/dbraw/zinc/21/58/72/394215872.db2.gz KKZVLTKSYZGIGS-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118612 394219325 /nfs/dbraw/zinc/21/93/25/394219325.db2.gz TXWNDBSUBPCIIO-KBPBESRZSA-N 1 0 293.411 2.846 20 5 CFBDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449118614 394219433 /nfs/dbraw/zinc/21/94/33/394219433.db2.gz TXWNDBSUBPCIIO-UONOGXRCSA-N 1 0 293.411 2.846 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(C)(C)C ZINC000449145765 394229027 /nfs/dbraw/zinc/22/90/27/394229027.db2.gz LWIISNPAKHDNTL-SMDDNHRTSA-N 1 0 280.368 2.522 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCOC1 ZINC000449149173 394230486 /nfs/dbraw/zinc/23/04/86/394230486.db2.gz MJSRTQYOVPKENI-SWLSCSKDSA-N 1 0 278.352 2.542 20 5 CFBDRO CSC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160664 394235916 /nfs/dbraw/zinc/23/59/16/394235916.db2.gz MJYKIKOTIRCETH-QWRGUYRKSA-N 1 0 268.382 2.867 20 5 CFBDRO CC[C@@H](CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449187460 394246519 /nfs/dbraw/zinc/24/65/19/394246519.db2.gz DIDNJVKZLGKFNV-OLZOCXBDSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C ZINC000449194162 394248543 /nfs/dbraw/zinc/24/85/43/394248543.db2.gz OQKSDCAHZDAHHV-DYEKYZERSA-N 1 0 280.372 2.596 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC(F)(F)C2)cc1 ZINC000291641661 394251823 /nfs/dbraw/zinc/25/18/23/394251823.db2.gz BORHFZQQVCDXRW-UHFFFAOYSA-N 1 0 256.252 2.730 20 5 CFBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057655 195970636 /nfs/dbraw/zinc/97/06/36/195970636.db2.gz KPWWPESISCPIQE-VXGBXAGGSA-N 1 0 295.383 2.626 20 5 CFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000286383947 394196227 /nfs/dbraw/zinc/19/62/27/394196227.db2.gz OOEVYQJBPGNLMT-QWHCGFSZSA-N 1 0 275.352 2.658 20 5 CFBDRO CC1(C)C[C@@H](NC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423243430 394274189 /nfs/dbraw/zinc/27/41/89/394274189.db2.gz WLIRZIQGDQKRRB-IAQYHMDHSA-N 1 0 289.379 2.659 20 5 CFBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292792881 394277287 /nfs/dbraw/zinc/27/72/87/394277287.db2.gz YBPXPZZBRRSRTJ-GFCCVEGCSA-N 1 0 295.358 2.963 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153210616 394280098 /nfs/dbraw/zinc/28/00/98/394280098.db2.gz IHVGIUKBDRZISZ-GHMZBOCLSA-N 1 0 264.300 2.966 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153636552 394287248 /nfs/dbraw/zinc/28/72/48/394287248.db2.gz MKMVHZIADZYUEW-AWEZNQCLSA-N 1 0 296.754 2.861 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153748661 394291057 /nfs/dbraw/zinc/29/10/57/394291057.db2.gz KGDLEKNBHFACCB-NSHDSACASA-N 1 0 298.774 2.930 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000154381702 394296433 /nfs/dbraw/zinc/29/64/33/394296433.db2.gz VXFKSIPSDGEBRY-HNNXBMFYSA-N 1 0 290.363 2.894 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@@H+](C)C(C)C ZINC000155761783 394322791 /nfs/dbraw/zinc/32/27/91/394322791.db2.gz HVVCSUVDDWOXOG-ZDUSSCGKSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000157952534 394352717 /nfs/dbraw/zinc/35/27/17/394352717.db2.gz RYKKMGLACGNQGI-UHFFFAOYSA-N 1 0 260.293 2.829 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccccc2)c1 ZINC000453381895 394393051 /nfs/dbraw/zinc/39/30/51/394393051.db2.gz YMYBNXQXRHZBRD-HYVNUMGLSA-N 1 0 298.342 2.797 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452128382 394379024 /nfs/dbraw/zinc/37/90/24/394379024.db2.gz MBPBBYBJIIFOQR-CHWSQXEVSA-N 1 0 278.352 2.750 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)cccc1[N+](=O)[O-] ZINC000453387333 394394379 /nfs/dbraw/zinc/39/43/79/394394379.db2.gz PTFGYNRFDDKANL-IAQYHMDHSA-N 1 0 278.352 2.715 20 5 CFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1csc([N+](=O)[O-])c1 ZINC000177342276 394383451 /nfs/dbraw/zinc/38/34/51/394383451.db2.gz KZPPXCBUULUATO-OLZOCXBDSA-N 1 0 295.408 2.715 20 5 CFBDRO CCC[C@H]([NH2+][C@H](CC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000453397322 394396132 /nfs/dbraw/zinc/39/61/32/394396132.db2.gz IEQKYPYKUYVOJJ-KGLIPLIRSA-N 1 0 293.367 2.550 20 5 CFBDRO Cc1ccc(C[N@@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000536650090 394566230 /nfs/dbraw/zinc/56/62/30/394566230.db2.gz GGUZAVRVCHXTIQ-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000538394818 394602923 /nfs/dbraw/zinc/60/29/23/394602923.db2.gz QGEODZXUCUNJAT-KCPJHIHWSA-N 1 0 292.379 2.786 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCOCC1 ZINC000542702486 394710846 /nfs/dbraw/zinc/71/08/46/394710846.db2.gz HXZJJQYAXBYHER-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000556954040 395027199 /nfs/dbraw/zinc/02/71/99/395027199.db2.gz QAGCFGNQVMVZCW-LYASGUKUSA-N 1 0 289.379 2.634 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2OCC)cc1[N+](=O)[O-] ZINC000556078748 394988981 /nfs/dbraw/zinc/98/89/81/394988981.db2.gz ZJIGFISVPTZTNO-WBIUFABUSA-N 1 0 294.351 2.822 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000555074151 394965032 /nfs/dbraw/zinc/96/50/32/394965032.db2.gz XWGPNCDPKBZMNY-NSHDSACASA-N 1 0 286.278 2.717 20 5 CFBDRO CC[C@@H]1C[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000556954039 395026598 /nfs/dbraw/zinc/02/65/98/395026598.db2.gz QAGCFGNQVMVZCW-DDJMYBDESA-N 1 0 289.379 2.634 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC=CCC2)n1 ZINC000447573921 296518804 /nfs/dbraw/zinc/51/88/04/296518804.db2.gz JPEGNCDBMMBGSK-MELADBBJSA-N 1 0 290.367 2.973 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[C@@H](F)C2)n1 ZINC000348331306 296518854 /nfs/dbraw/zinc/51/88/54/296518854.db2.gz VOPPKAIOTDFRGE-MROQNXINSA-N 1 0 296.346 2.755 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000356357438 155238063 /nfs/dbraw/zinc/23/80/63/155238063.db2.gz FXISKQUBXUWABK-DOMZBBRYSA-N 1 0 292.379 2.886 20 5 CFBDRO COc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000291222565 286301847 /nfs/dbraw/zinc/30/18/47/286301847.db2.gz JNNNOXINAICKJT-ZDUSSCGKSA-N 1 0 294.351 2.603 20 5 CFBDRO CCOc1cc(N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000356746429 155350671 /nfs/dbraw/zinc/35/06/71/155350671.db2.gz QXCSUINNBLIHKM-GFCCVEGCSA-N 1 0 293.367 2.524 20 5 CFBDRO CCCN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000343352365 154183255 /nfs/dbraw/zinc/18/32/55/154183255.db2.gz QXLQYNCGDCYYPA-UHFFFAOYSA-N 1 0 292.383 2.692 20 5 CFBDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000355729494 155068366 /nfs/dbraw/zinc/06/83/66/155068366.db2.gz LNOFTEDTKYHKGA-CYBMUJFWSA-N 1 0 280.368 2.872 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000355782046 155085214 /nfs/dbraw/zinc/08/52/14/155085214.db2.gz QGZSVXBEGHTYFB-JSGCOSHPSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000358020649 155603976 /nfs/dbraw/zinc/60/39/76/155603976.db2.gz FQNAIYZOTVIGRD-CHWSQXEVSA-N 1 0 294.351 2.508 20 5 CFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360209188 156052839 /nfs/dbraw/zinc/05/28/39/156052839.db2.gz OYMJQWIXPDFCQQ-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO Cc1cnc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361258767 156072701 /nfs/dbraw/zinc/07/27/01/156072701.db2.gz AEFYKAYCFACEIR-OLZOCXBDSA-N 1 0 292.383 2.973 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000362959217 156126995 /nfs/dbraw/zinc/12/69/95/156126995.db2.gz WGUDMZQOIGVMMU-GJZGRUSLSA-N 1 0 278.352 2.950 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000373490235 157000501 /nfs/dbraw/zinc/00/05/01/157000501.db2.gz PDVBSMTWMAEPSM-HFPBVCCTSA-N 1 0 288.347 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC[C@@H](CO)C2)c1 ZINC000374041596 157061346 /nfs/dbraw/zinc/06/13/46/157061346.db2.gz IMWGEPHFLQJVBE-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CCCC3)CC2)s1 ZINC000374424193 157112288 /nfs/dbraw/zinc/11/22/88/157112288.db2.gz PIHXMSYCCLESRY-UHFFFAOYSA-N 1 0 296.396 2.552 20 5 CFBDRO Nc1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)c1 ZINC000374585017 157134374 /nfs/dbraw/zinc/13/43/74/157134374.db2.gz NKNCKDSRXQTDQH-UHFFFAOYSA-N 1 0 290.367 2.606 20 5 CFBDRO CCC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374774701 157157204 /nfs/dbraw/zinc/15/72/04/157157204.db2.gz BNDPUNFGTWAYPM-UHFFFAOYSA-N 1 0 295.358 2.652 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375103406 157196283 /nfs/dbraw/zinc/19/62/83/157196283.db2.gz ZEMSCCHULVANAG-CQSZACIVSA-N 1 0 278.352 2.843 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(Cl)c1 ZINC000376046391 157317812 /nfs/dbraw/zinc/31/78/12/157317812.db2.gz ZGIWWDQBLBZXIB-SMDDNHRTSA-N 1 0 296.754 2.859 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCO2)CC1 ZINC000376394559 157348956 /nfs/dbraw/zinc/34/89/56/157348956.db2.gz AIXNYKMBLHOPDD-GFCCVEGCSA-N 1 0 276.336 2.911 20 5 CFBDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155098120 286712820 /nfs/dbraw/zinc/71/28/20/286712820.db2.gz QZCUEYHZSQVAGS-NXEZZACHSA-N 1 0 254.355 2.997 20 5 CFBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000344301403 162001026 /nfs/dbraw/zinc/00/10/26/162001026.db2.gz KFQOIYVWYQALEB-HZMBPMFUSA-N 1 0 297.786 2.821 20 5 CFBDRO C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCN1C ZINC000344335122 162016664 /nfs/dbraw/zinc/01/66/64/162016664.db2.gz RDWVZVPMJXTFMD-IEOKHJKGSA-N 1 0 289.379 2.680 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC000344455751 162048101 /nfs/dbraw/zinc/04/81/01/162048101.db2.gz GGLYAJTYDKQTKZ-INIZCTEOSA-N 1 0 286.331 2.808 20 5 CFBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344577451 162072469 /nfs/dbraw/zinc/07/24/69/162072469.db2.gz JKHJHCBQWRNESR-KOLCDFICSA-N 1 0 272.370 2.543 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C1CC1 ZINC000344788165 162121833 /nfs/dbraw/zinc/12/18/33/162121833.db2.gz DRSGJKQWNYAHCI-OQRGYWNNSA-N 1 0 290.363 2.749 20 5 CFBDRO CC[C@@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344857535 162136103 /nfs/dbraw/zinc/13/61/03/162136103.db2.gz MDOIINJKGPBPII-INDWDQIESA-N 1 0 278.352 2.749 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(F)cn1 ZINC000344910827 162146830 /nfs/dbraw/zinc/14/68/30/162146830.db2.gz WZMRFHHLNLRVGU-HYXAFXHYSA-N 1 0 287.294 2.932 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CCO ZINC000344975083 162155900 /nfs/dbraw/zinc/15/59/00/162155900.db2.gz HOTYPBQEUVBZEJ-UKTHLTGXSA-N 1 0 292.379 2.996 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000345042058 162168024 /nfs/dbraw/zinc/16/80/24/162168024.db2.gz XPTDUGWZJHIMLU-CEOLHISLSA-N 1 0 288.347 2.525 20 5 CFBDRO [NH3+]CCN(C[C@@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000348907665 162920659 /nfs/dbraw/zinc/92/06/59/162920659.db2.gz YBWRSJXIVGOOAU-CYBMUJFWSA-N 1 0 275.352 2.716 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(CO)CC1 ZINC000350072072 163055258 /nfs/dbraw/zinc/05/52/58/163055258.db2.gz HQRAABMYKBZTAP-UHFFFAOYSA-N 1 0 278.352 2.544 20 5 CFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350128822 163060940 /nfs/dbraw/zinc/06/09/40/163060940.db2.gz WWMWOOSYSXACEW-OCCSQVGLSA-N 1 0 280.372 2.692 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350240921 163068387 /nfs/dbraw/zinc/06/83/87/163068387.db2.gz CJVBGGCBMPHVRP-BXUZGUMPSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350311257 163071173 /nfs/dbraw/zinc/07/11/73/163071173.db2.gz GYGWVUDUACBMDL-GHMZBOCLSA-N 1 0 282.315 2.639 20 5 CFBDRO C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000351603405 163155904 /nfs/dbraw/zinc/15/59/04/163155904.db2.gz LEPBWBFKIYTFOM-MALLOTDXSA-N 1 0 273.292 2.947 20 5 CFBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351765462 163190748 /nfs/dbraw/zinc/19/07/48/163190748.db2.gz BMFUCFAYJHXNDG-GWCFXTLKSA-N 1 0 291.351 2.692 20 5 CFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352890218 163261529 /nfs/dbraw/zinc/26/15/29/163261529.db2.gz XELYJDZAXBJBKY-HNNXBMFYSA-N 1 0 296.342 2.861 20 5 CFBDRO CC(C)[C@](C)(CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352884851 163261693 /nfs/dbraw/zinc/26/16/93/163261693.db2.gz SBCGTYRZKDFPHT-ZDUSSCGKSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]1CC[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353458319 163371199 /nfs/dbraw/zinc/37/11/99/163371199.db2.gz BOMQWDCNCIEYGR-BRLPQQTGSA-N 1 0 289.379 2.634 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000284183572 195998394 /nfs/dbraw/zinc/99/83/94/195998394.db2.gz APHWNMLOBYULMQ-CYBMUJFWSA-N 1 0 292.379 2.811 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCCCC1 ZINC000007782008 170302307 /nfs/dbraw/zinc/30/23/07/170302307.db2.gz HCQIJASJIMBBKS-UHFFFAOYSA-N 1 0 291.351 2.718 20 5 CFBDRO CN(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000020122407 171002814 /nfs/dbraw/zinc/00/28/14/171002814.db2.gz BITBBWQPBFDMRT-CQSZACIVSA-N 1 0 289.335 2.580 20 5 CFBDRO CC(C)[NH+](CCNc1ccncc1[N+](=O)[O-])C(C)C ZINC000020370218 171167666 /nfs/dbraw/zinc/16/76/66/171167666.db2.gz SBUOETLHOHJIJY-UHFFFAOYSA-N 1 0 266.345 2.521 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000020370280 171167789 /nfs/dbraw/zinc/16/77/89/171167789.db2.gz RPBLIMAXKVHJOF-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284651882 196104470 /nfs/dbraw/zinc/10/44/70/196104470.db2.gz GCBRGNVCPANYSD-HUUCEWRRSA-N 1 0 276.336 2.738 20 5 CFBDRO CCn1cc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000284839935 196142027 /nfs/dbraw/zinc/14/20/27/196142027.db2.gz BZMCCGDIFBENCE-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284932224 196159946 /nfs/dbraw/zinc/15/99/46/196159946.db2.gz WGGACUIERALFNF-HOTGVXAUSA-N 1 0 290.363 2.781 20 5 CFBDRO Cc1c(C[NH2+]Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000035648842 172325476 /nfs/dbraw/zinc/32/54/76/172325476.db2.gz IURFITSOEGHRAG-UHFFFAOYSA-N 1 0 257.293 2.588 20 5 CFBDRO CCSCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285382169 196267382 /nfs/dbraw/zinc/26/73/82/196267382.db2.gz WLAWGQUTBAXDBL-JTQLQIEISA-N 1 0 283.397 2.971 20 5 CFBDRO C[C@@H]1CC[C@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])O1 ZINC000285444103 196285706 /nfs/dbraw/zinc/28/57/06/196285706.db2.gz XVSOKOOREUKKIJ-TZMCWYRMSA-N 1 0 278.352 2.637 20 5 CFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000037177138 173011008 /nfs/dbraw/zinc/01/10/08/173011008.db2.gz GSJGNVWMLRESHY-LLVKDONJSA-N 1 0 287.319 2.849 20 5 CFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000285695178 196369214 /nfs/dbraw/zinc/36/92/14/196369214.db2.gz VPUUMTGNEHJYSU-CJNGLKHVSA-N 1 0 289.379 2.653 20 5 CFBDRO C[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000037379035 173167240 /nfs/dbraw/zinc/16/72/40/173167240.db2.gz YBTQXNNUFATUJE-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000037738364 173658678 /nfs/dbraw/zinc/65/86/78/173658678.db2.gz KLIITKHKTRTGFJ-NEPJUHHUSA-N 1 0 264.325 2.590 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044360 174052369 /nfs/dbraw/zinc/05/23/69/174052369.db2.gz PEGYIFIIMNHSST-NWDGAFQWSA-N 1 0 264.325 2.672 20 5 CFBDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038087919 174100295 /nfs/dbraw/zinc/10/02/95/174100295.db2.gz SHAINOOWTVVCPJ-RISCZKNCSA-N 1 0 265.357 2.586 20 5 CFBDRO CC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038098040 174112289 /nfs/dbraw/zinc/11/22/89/174112289.db2.gz NMDPFMIKEKCSDN-LBPRGKRZSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000040503288 174300072 /nfs/dbraw/zinc/30/00/72/174300072.db2.gz MHQUNWQICCZMLF-CYBMUJFWSA-N 1 0 263.341 2.799 20 5 CFBDRO CCCCOCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000040506847 174301967 /nfs/dbraw/zinc/30/19/67/174301967.db2.gz JPDZFVYVFHUYDK-UHFFFAOYSA-N 1 0 266.341 2.810 20 5 CFBDRO CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672646 174370862 /nfs/dbraw/zinc/37/08/62/174370862.db2.gz PPURQQRGNKBNHI-DZGCQCFKSA-N 1 0 277.368 2.730 20 5 CFBDRO Cc1c(NC(=O)CC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000043588704 175073040 /nfs/dbraw/zinc/07/30/40/175073040.db2.gz OZBHJEZSNOFRJN-LBPRGKRZSA-N 1 0 291.351 2.622 20 5 CFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000044416143 175172992 /nfs/dbraw/zinc/17/29/92/175172992.db2.gz JDGAEVQRSLOIRR-UHFFFAOYSA-N 1 0 281.331 2.878 20 5 CFBDRO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000044534270 175197165 /nfs/dbraw/zinc/19/71/65/175197165.db2.gz XDECNNIGFMSAIK-OLZOCXBDSA-N 1 0 277.368 2.587 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044690521 175233218 /nfs/dbraw/zinc/23/32/18/175233218.db2.gz SQIBREFMBWXVRD-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO Cc1ccnc(NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000070495969 175957025 /nfs/dbraw/zinc/95/70/25/175957025.db2.gz NBHIAUPWLSSYRQ-LBPRGKRZSA-N 1 0 292.383 2.832 20 5 CFBDRO CC(=O)c1ccc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078542586 177351863 /nfs/dbraw/zinc/35/18/63/177351863.db2.gz DSCMHEWTTBKBSE-OAHLLOKOSA-N 1 0 291.351 2.550 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000222796259 270255116 /nfs/dbraw/zinc/25/51/16/270255116.db2.gz YWIFKUIKSSBFME-GMXVVIOVSA-N 1 0 264.325 2.813 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000228202996 261871006 /nfs/dbraw/zinc/87/10/06/261871006.db2.gz PQZPKYFDXNRNHM-NWDGAFQWSA-N 1 0 263.341 2.798 20 5 CFBDRO CC(C)[NH+](CCNCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000020039372 262226703 /nfs/dbraw/zinc/22/67/03/262226703.db2.gz QBQYPNRGRZXWEJ-UHFFFAOYSA-N 1 0 279.384 2.803 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000095015636 265285183 /nfs/dbraw/zinc/28/51/83/265285183.db2.gz WAARGZCURORSAC-QWHCGFSZSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1ncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000040997954 270226903 /nfs/dbraw/zinc/22/69/03/270226903.db2.gz LPUJOFUGRJLBDW-UHFFFAOYSA-N 1 0 293.348 2.528 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CC1 ZINC000236859074 270263394 /nfs/dbraw/zinc/26/33/94/270263394.db2.gz OJNUHPHCZMTFQK-SNVBAGLBSA-N 1 0 264.325 2.882 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000313257813 270290474 /nfs/dbraw/zinc/29/04/74/270290474.db2.gz WFRPQMVRSFPHOH-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000313257814 270290556 /nfs/dbraw/zinc/29/05/56/270290556.db2.gz WFRPQMVRSFPHOH-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1cc(NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000393571942 270307736 /nfs/dbraw/zinc/30/77/36/270307736.db2.gz KJNBDLCBMAIJKB-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000398502689 270322658 /nfs/dbraw/zinc/32/26/58/270322658.db2.gz ZOCHXAIPVQLHBS-NWDGAFQWSA-N 1 0 266.341 2.797 20 5 CFBDRO COC[C@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179367005 274047642 /nfs/dbraw/zinc/04/76/42/274047642.db2.gz ZZZVZQPQYYSZRY-WMADIVHISA-N 1 0 264.325 2.575 20 5 CFBDRO COC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000193041359 274050891 /nfs/dbraw/zinc/05/08/91/274050891.db2.gz MKXBLSWINZFKKD-CVEARBPZSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293776979 274225342 /nfs/dbraw/zinc/22/53/42/274225342.db2.gz SYCSCLQUGHHEHW-BLLLJJGKSA-N 1 0 291.395 2.760 20 5 CFBDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000422951744 274240060 /nfs/dbraw/zinc/24/00/60/274240060.db2.gz ZZUHBMTXDJMMMM-CJNGLKHVSA-N 1 0 299.374 2.643 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC[C@H]1C ZINC000449322430 274499081 /nfs/dbraw/zinc/49/90/81/274499081.db2.gz PFVMOHYVPQMWEZ-WZRBSPASSA-N 1 0 280.393 2.867 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277154112 274762485 /nfs/dbraw/zinc/76/24/85/274762485.db2.gz LDPLRCOJRBEAIG-CYBMUJFWSA-N 1 0 277.368 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000370483844 275035775 /nfs/dbraw/zinc/03/57/75/275035775.db2.gz JAGSRJHOLSGYOZ-LBPRGKRZSA-N 1 0 295.770 2.923 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCSC1)CC2 ZINC000336479702 275037739 /nfs/dbraw/zinc/03/77/39/275037739.db2.gz NVWOIQCIYLIYET-NSHDSACASA-N 1 0 278.377 2.706 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000301992512 275040642 /nfs/dbraw/zinc/04/06/42/275040642.db2.gz NWAKTDFYDRSMIH-ZJUUUORDSA-N 1 0 267.354 2.695 20 5 CFBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357044 275688178 /nfs/dbraw/zinc/68/81/78/275688178.db2.gz WMMCIWVWHJKZHJ-HIFRSBDPSA-N 1 0 278.352 2.888 20 5 CFBDRO CC(C)c1ccc(CN2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000346091860 275738890 /nfs/dbraw/zinc/73/88/90/275738890.db2.gz LZCJORITSGZJED-CYBMUJFWSA-N 1 0 277.368 2.641 20 5 CFBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471805142 276053286 /nfs/dbraw/zinc/05/32/86/276053286.db2.gz PQSNGQQNHDWWFV-AAEUAGOBSA-N 1 0 278.352 2.673 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000359099105 276250811 /nfs/dbraw/zinc/25/08/11/276250811.db2.gz OAASGUOUEPYALT-STQMWFEESA-N 1 0 292.383 2.526 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000044690653 276332190 /nfs/dbraw/zinc/33/21/90/276332190.db2.gz ASSLYWPQDMWZOA-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000268818310 277070160 /nfs/dbraw/zinc/07/01/60/277070160.db2.gz JCEOAYDMKZSYKS-CHWSQXEVSA-N 1 0 275.352 2.515 20 5 CFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272172252 277146831 /nfs/dbraw/zinc/14/68/31/277146831.db2.gz IGOWSNUECMCUQL-QMTHXVAHSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000366177766 277186069 /nfs/dbraw/zinc/18/60/69/277186069.db2.gz LBEINTHYKVFUQV-AWEZNQCLSA-N 1 0 295.770 2.780 20 5 CFBDRO COCCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116274109 277205515 /nfs/dbraw/zinc/20/55/15/277205515.db2.gz PAAHPJWEWABXTH-UHFFFAOYSA-N 1 0 272.732 2.717 20 5 CFBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000291027709 277357352 /nfs/dbraw/zinc/35/73/52/277357352.db2.gz IJOSDVRZJYJISZ-OAHLLOKOSA-N 1 0 278.352 2.808 20 5 CFBDRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182660949 277380359 /nfs/dbraw/zinc/38/03/59/277380359.db2.gz JVJCWSFQLQJTQW-NEPJUHHUSA-N 1 0 294.351 2.705 20 5 CFBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000290085914 277625057 /nfs/dbraw/zinc/62/50/57/277625057.db2.gz HCSSUMFAAFQROG-JRPNMDOOSA-N 1 0 278.352 2.985 20 5 CFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000305148354 277852548 /nfs/dbraw/zinc/85/25/48/277852548.db2.gz SNUYSFHZNHRQGA-RISCZKNCSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000287003795 278082864 /nfs/dbraw/zinc/08/28/64/278082864.db2.gz RAIBJJSGMTXJKK-HIFRSBDPSA-N 1 0 289.379 2.653 20 5 CFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269002875 278160022 /nfs/dbraw/zinc/16/00/22/278160022.db2.gz KGXQGVVOHHVJCZ-COPLHBTASA-N 1 0 298.408 2.666 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000219246415 278275614 /nfs/dbraw/zinc/27/56/14/278275614.db2.gz AJRXJVDRUHBICT-VHSXEESVSA-N 1 0 252.339 2.751 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000272153975 278385628 /nfs/dbraw/zinc/38/56/28/278385628.db2.gz RLYSBEVTQRCBDB-UTUOFQBUSA-N 1 0 264.325 2.813 20 5 CFBDRO CCC(CC)(CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344318054 278588435 /nfs/dbraw/zinc/58/84/35/278588435.db2.gz NDACHWLCDJQYCG-CLFYSBASSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000286419756 279116579 /nfs/dbraw/zinc/11/65/79/279116579.db2.gz MXYXUPWVRCANRH-IUODEOHRSA-N 1 0 275.352 2.658 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CF ZINC000290202702 279275179 /nfs/dbraw/zinc/27/51/79/279275179.db2.gz PTQAILHRHGKXJF-MNOVXSKESA-N 1 0 254.305 2.864 20 5 CFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000375143361 280157283 /nfs/dbraw/zinc/15/72/83/280157283.db2.gz QLTPTAIRWBNCIY-JKSUJKDBSA-N 1 0 290.363 2.890 20 5 CFBDRO CCCC[C@H](COC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123250876 280632375 /nfs/dbraw/zinc/63/23/75/280632375.db2.gz VBBWJMGPCMLTCH-CQSZACIVSA-N 1 0 280.368 2.932 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000189352932 280873086 /nfs/dbraw/zinc/87/30/86/280873086.db2.gz XTDFCNGBUBTVMK-CABCVRRESA-N 1 0 292.379 2.967 20 5 CFBDRO CC1(C)CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000189728155 280879183 /nfs/dbraw/zinc/87/91/83/280879183.db2.gz YNXQVWABQJCPKK-JTQLQIEISA-N 1 0 270.354 2.704 20 5 CFBDRO Cc1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301832149 280916011 /nfs/dbraw/zinc/91/60/11/280916011.db2.gz TWHHZRDKFNSBQV-AWEZNQCLSA-N 1 0 263.341 2.655 20 5 CFBDRO CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247746594 281016551 /nfs/dbraw/zinc/01/65/51/281016551.db2.gz YGLDTJBKYBHGOL-VXGBXAGGSA-N 1 0 293.367 2.900 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000245532465 281021453 /nfs/dbraw/zinc/02/14/53/281021453.db2.gz UPSXPRWLXUHSQJ-KBPBESRZSA-N 1 0 291.395 2.848 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373909987 281021847 /nfs/dbraw/zinc/02/18/47/281021847.db2.gz MMYXBSQYHJRELQ-LRDDRELGSA-N 1 0 290.363 2.811 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362087950 281022725 /nfs/dbraw/zinc/02/27/25/281022725.db2.gz CUIVMXHOIBGEGM-AVGNSLFASA-N 1 0 278.352 2.524 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249588017 281063328 /nfs/dbraw/zinc/06/33/28/281063328.db2.gz ULTLJJGHHXSGKU-TYNCELHUSA-N 1 0 278.352 2.667 20 5 CFBDRO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000276187401 281126427 /nfs/dbraw/zinc/12/64/27/281126427.db2.gz HTQHXRTUQZMSLB-BDAKNGLRSA-N 1 0 292.257 2.559 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395717887 281196214 /nfs/dbraw/zinc/19/62/14/281196214.db2.gz NZQFWVFQVAFAFW-LOWVWBTDSA-N 1 0 266.341 2.713 20 5 CFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000395717891 281196316 /nfs/dbraw/zinc/19/63/16/281196316.db2.gz NZQFWVFQVAFAFW-MDZLAQPJSA-N 1 0 266.341 2.713 20 5 CFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000397823949 281202248 /nfs/dbraw/zinc/20/22/48/281202248.db2.gz VOZYCYUWBMYPPH-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301140988 281260223 /nfs/dbraw/zinc/26/02/23/281260223.db2.gz FPECOVFIITZGMV-CYBMUJFWSA-N 1 0 275.352 2.578 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514871797 281288431 /nfs/dbraw/zinc/28/84/31/281288431.db2.gz DHLSLPDQNMRTLH-WFASDCNBSA-N 1 0 291.395 2.902 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC1(F)CC1 ZINC000527524714 281334128 /nfs/dbraw/zinc/33/41/28/281334128.db2.gz MXWNPDNJQLNZFH-UHFFFAOYSA-N 1 0 272.707 2.882 20 5 CFBDRO COC[C@@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000539065671 281565505 /nfs/dbraw/zinc/56/55/05/281565505.db2.gz UHMQXNHKEWPFNJ-IPYPFGDCSA-N 1 0 292.379 2.931 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548884619 281806582 /nfs/dbraw/zinc/80/65/82/281806582.db2.gz FTAKEJNFZARBOM-NILFDRSVSA-N 1 0 276.336 2.752 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000561880856 282062608 /nfs/dbraw/zinc/06/26/08/282062608.db2.gz WGKRCQKCTXUCSZ-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000562293892 282072632 /nfs/dbraw/zinc/07/26/32/282072632.db2.gz YQMIGFRCGIGINA-ZWNOBZJWSA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000020526287 289992367 /nfs/dbraw/zinc/99/23/67/289992367.db2.gz RBCCXZFGYWSBFA-MJVIPROJSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000154536028 289897293 /nfs/dbraw/zinc/89/72/93/289897293.db2.gz FESCYECDPFEXFJ-BXUZGUMPSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000157666928 289960318 /nfs/dbraw/zinc/96/03/18/289960318.db2.gz LPOTVTSFNAFNKA-UHTWSYAYSA-N 1 0 280.368 2.961 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000268996963 290027517 /nfs/dbraw/zinc/02/75/17/290027517.db2.gz ICZMUSOUUHCTFD-MQIPJXDCSA-N 1 0 289.379 2.728 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000563124942 290106300 /nfs/dbraw/zinc/10/63/00/290106300.db2.gz LGRYUDXVIQJGBU-IXPVHAAZSA-N 1 0 276.336 2.739 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000563417795 290147235 /nfs/dbraw/zinc/14/72/35/290147235.db2.gz MHVXDFLRNOWEGE-ZOWXZIJZSA-N 1 0 290.363 2.987 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332209191 290268016 /nfs/dbraw/zinc/26/80/16/290268016.db2.gz JHXVCGBXVUSOKA-RFGFWPKPSA-N 1 0 290.363 2.749 20 5 CFBDRO CCC[C@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217553 290283495 /nfs/dbraw/zinc/28/34/95/290283495.db2.gz MFQUUCHWYJCACP-DOMZBBRYSA-N 1 0 292.379 2.970 20 5 CFBDRO CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000565989554 290339182 /nfs/dbraw/zinc/33/91/82/290339182.db2.gz PAJFSDITHCPBAP-UHFFFAOYSA-N 1 0 298.412 2.608 20 5 CFBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[C@H](C)O ZINC000566476451 290391909 /nfs/dbraw/zinc/39/19/09/290391909.db2.gz ZLCWWIOARFTZCQ-SUNKGSAMSA-N 1 0 278.352 2.579 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H]1C ZINC000566753661 290415472 /nfs/dbraw/zinc/41/54/72/290415472.db2.gz UCDAHPBGVCMTLS-GYSYKLTISA-N 1 0 291.351 2.700 20 5 CFBDRO CC(=O)c1ccc(OCCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000567673945 290483032 /nfs/dbraw/zinc/48/30/32/290483032.db2.gz UXZDVOQPHJQDOY-UHFFFAOYSA-N 1 0 292.335 2.566 20 5 CFBDRO Cc1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301832462 301626180 /nfs/dbraw/zinc/62/61/80/301626180.db2.gz UCTQMZQMUBKTBW-CQSZACIVSA-N 1 0 289.379 2.968 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166794472 322387337 /nfs/dbraw/zinc/38/73/37/322387337.db2.gz APRCTNLQHISVNU-CHWSQXEVSA-N 1 0 280.368 2.962 20 5 CFBDRO CCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)COC1 ZINC000570791837 322551729 /nfs/dbraw/zinc/55/17/29/322551729.db2.gz BWUYLYRCSDJVBZ-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000570985788 322563027 /nfs/dbraw/zinc/56/30/27/322563027.db2.gz OEVRDOTZWVRASG-HZUKXOBISA-N 1 0 290.363 2.723 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000575029112 322715622 /nfs/dbraw/zinc/71/56/22/322715622.db2.gz KYIMLBAQEXKHMH-CQSZACIVSA-N 1 0 295.770 2.828 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183271820 323909755 /nfs/dbraw/zinc/90/97/55/323909755.db2.gz SLOKOJIQEXQRKI-MGPQQGTHSA-N 1 0 294.399 2.842 20 5 CFBDRO CCCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000184882185 323955195 /nfs/dbraw/zinc/95/51/95/323955195.db2.gz TYZUOMCWKWUDJI-AWEZNQCLSA-N 1 0 280.372 2.740 20 5 CFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000397637622 324547209 /nfs/dbraw/zinc/54/72/09/324547209.db2.gz WREDTAJTNDBZSW-SMDDNHRTSA-N 1 0 278.352 2.998 20 5 CFBDRO CC(C)(CO)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577191194 324708931 /nfs/dbraw/zinc/70/89/31/324708931.db2.gz CZXZBTJAHZIBGU-ZDUSSCGKSA-N 1 0 278.352 2.580 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000581475813 325124823 /nfs/dbraw/zinc/12/48/23/325124823.db2.gz JUWTZROOVKOLEH-CQDKDKBSSA-N 1 0 278.352 2.998 20 5 CFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC000581475815 325125019 /nfs/dbraw/zinc/12/50/19/325125019.db2.gz JUWTZROOVKOLEH-GLQYFDAESA-N 1 0 278.352 2.998 20 5 CFBDRO CC(C)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581705340 325143684 /nfs/dbraw/zinc/14/36/84/325143684.db2.gz UBVSGQMKEQWCKH-GFCCVEGCSA-N 1 0 293.367 2.948 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736517 325147227 /nfs/dbraw/zinc/14/72/27/325147227.db2.gz YIBGQVYFBJCSEF-RISCZKNCSA-N 1 0 278.352 2.580 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cn(C)cn1 ZINC000582892511 325243625 /nfs/dbraw/zinc/24/36/25/325243625.db2.gz NUDCSLPZWKKIDR-LBPRGKRZSA-N 1 0 288.351 2.530 20 5 CFBDRO C[C@@H](CC[NH+](C)C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000583437263 325287781 /nfs/dbraw/zinc/28/77/81/325287781.db2.gz CGRLWSKPFRRRAJ-NSHDSACASA-N 1 0 292.383 2.621 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000583844876 325314180 /nfs/dbraw/zinc/31/41/80/325314180.db2.gz JRAUWGCJDFSKIT-NWDGAFQWSA-N 1 0 275.352 2.940 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000292914050 500605972 /nfs/dbraw/zinc/60/59/72/500605972.db2.gz FRELPDXUSXPRGF-ZDUSSCGKSA-N 1 0 266.341 2.542 20 5 CFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000070012476 500685386 /nfs/dbraw/zinc/68/53/86/500685386.db2.gz YMMQYRJNJVAWIU-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO C[C@@H](C[NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423300320 533772631 /nfs/dbraw/zinc/77/26/31/533772631.db2.gz DMBXDQNKOFDPHE-GUYCJALGSA-N 1 0 299.374 2.869 20 5 CFBDRO Cc1c(C[N@H+]2CCSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000172587828 533846242 /nfs/dbraw/zinc/84/62/42/533846242.db2.gz KUAVPIWKDIGPNA-SNVBAGLBSA-N 1 0 266.366 2.841 20 5 CFBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000425338270 533986770 /nfs/dbraw/zinc/98/67/70/533986770.db2.gz AYMMOVYINZPBRZ-QWHCGFSZSA-N 1 0 266.366 2.621 20 5 CFBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000425343071 533987622 /nfs/dbraw/zinc/98/76/22/533987622.db2.gz IBGFOHRQEPSZAT-WCQYABFASA-N 1 0 266.366 2.621 20 5 CFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311511284 518184769 /nfs/dbraw/zinc/18/47/69/518184769.db2.gz SJWXVRBVFWTKLV-CABZTGNLSA-N 1 0 284.743 2.763 20 5 CFBDRO CC(C)(C)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000361545139 518974651 /nfs/dbraw/zinc/97/46/51/518974651.db2.gz ZPIGJGXZFLWRMS-LBPRGKRZSA-N 1 0 280.372 2.549 20 5 CFBDRO CCOC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000233734174 520089464 /nfs/dbraw/zinc/08/94/64/520089464.db2.gz JUUUJSHKJWAEBD-CQSZACIVSA-N 1 0 296.367 2.754 20 5 CFBDRO CCCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208291 520410536 /nfs/dbraw/zinc/41/05/36/520410536.db2.gz QFFDCMPMELWWSB-UHFFFAOYSA-N 1 0 252.314 2.706 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311086228 520537386 /nfs/dbraw/zinc/53/73/86/520537386.db2.gz ORRQZBUKUJGOGJ-SNVBAGLBSA-N 1 0 252.289 2.870 20 5 CFBDRO CC1(C)[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172970624 520643808 /nfs/dbraw/zinc/64/38/08/520643808.db2.gz AKXJVVBIRDQYKY-OKILXGFUSA-N 1 0 276.336 2.561 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000338646288 520828475 /nfs/dbraw/zinc/82/84/75/520828475.db2.gz BQVYEXHVCYRNLG-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CCC[C@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075071 521158838 /nfs/dbraw/zinc/15/88/38/521158838.db2.gz ZEAHWPOZEUMFMN-HNNXBMFYSA-N 1 0 288.351 2.922 20 5 CFBDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246300658 521640999 /nfs/dbraw/zinc/64/09/99/521640999.db2.gz VFWBSNOHTSHATJ-IUODEOHRSA-N 1 0 277.368 2.730 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245425965 521713111 /nfs/dbraw/zinc/71/31/11/521713111.db2.gz LAGADGYPMJXLDN-XJKSGUPXSA-N 1 0 291.395 2.757 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245422250 521714099 /nfs/dbraw/zinc/71/40/99/521714099.db2.gz IPZLCZLGWKYUQO-XJKSGUPXSA-N 1 0 291.395 2.757 20 5 CFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067949204 522032538 /nfs/dbraw/zinc/03/25/38/522032538.db2.gz YGJUOXHVIMWETM-ZDUSSCGKSA-N 1 0 275.308 2.903 20 5 CFBDRO COC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000311998425 522595443 /nfs/dbraw/zinc/59/54/43/522595443.db2.gz GKMIFLPKJUAJRO-UHFFFAOYSA-N 1 0 264.325 2.644 20 5 CFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+](C(C)C)C(C)C ZINC000313814259 523144199 /nfs/dbraw/zinc/14/41/99/523144199.db2.gz JGIVTTPKMFISFF-UHFFFAOYSA-N 1 0 297.403 2.650 20 5 CFBDRO CC[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340673262 523265634 /nfs/dbraw/zinc/26/56/34/523265634.db2.gz FWTHBCYBYQHSQR-GFCCVEGCSA-N 1 0 264.325 2.848 20 5 CFBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076072259 523445319 /nfs/dbraw/zinc/44/53/19/523445319.db2.gz DNPJZYIHTVJSNT-CQSZACIVSA-N 1 0 280.393 2.965 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000234834956 523775811 /nfs/dbraw/zinc/77/58/11/523775811.db2.gz ZCPWYRORSBBUHI-UONOGXRCSA-N 1 0 278.352 2.806 20 5 CFBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000062070717 524073597 /nfs/dbraw/zinc/07/35/97/524073597.db2.gz NQOLLCBJKFEYHU-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065208264 524091591 /nfs/dbraw/zinc/09/15/91/524091591.db2.gz ZEMWXNKWBREAEE-LBPRGKRZSA-N 1 0 264.325 2.706 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000163890322 524512436 /nfs/dbraw/zinc/51/24/36/524512436.db2.gz PMPATOLBFPGMNG-PWSUYJOCSA-N 1 0 297.786 2.665 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168947400 524570784 /nfs/dbraw/zinc/57/07/84/524570784.db2.gz HWBBJJOLYJKBTO-QMMMGPOBSA-N 1 0 257.721 2.610 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000315175774 524577081 /nfs/dbraw/zinc/57/70/81/524577081.db2.gz YQQAUKAQUXRMLJ-UKRRQHHQSA-N 1 0 292.379 2.792 20 5 CFBDRO Cc1cccc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000218836551 524673139 /nfs/dbraw/zinc/67/31/39/524673139.db2.gz MCCBKLPNTOVIMB-UHFFFAOYSA-N 1 0 263.341 2.801 20 5 CFBDRO Cc1cccc(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000218906818 524674136 /nfs/dbraw/zinc/67/41/36/524674136.db2.gz ODYFSESACDGVGR-UHFFFAOYSA-N 1 0 263.341 2.799 20 5 CFBDRO C[C@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156164626 524812123 /nfs/dbraw/zinc/81/21/23/524812123.db2.gz DXMRZNYNFLWFHH-UWVGGRQHSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000368764448 525267582 /nfs/dbraw/zinc/26/75/82/525267582.db2.gz GNUJUOGFSHNNHZ-ZIAGYGMSSA-N 1 0 296.392 2.951 20 5 CFBDRO C[C@H]([NH2+]CCN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000049574766 525350025 /nfs/dbraw/zinc/35/00/25/525350025.db2.gz LIKSDTDTFLEVIQ-ZDUSSCGKSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230410155 525363612 /nfs/dbraw/zinc/36/36/12/525363612.db2.gz QLGNDNWVAPKJGQ-RYUDHWBXSA-N 1 0 264.325 2.672 20 5 CFBDRO C[C@@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156164259 525447612 /nfs/dbraw/zinc/44/76/12/525447612.db2.gz DXMRZNYNFLWFHH-NXEZZACHSA-N 1 0 267.304 2.629 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000062726288 525463746 /nfs/dbraw/zinc/46/37/46/525463746.db2.gz BDNYTSVTNUIPDA-GFCCVEGCSA-N 1 0 271.320 2.883 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000051995991 525632486 /nfs/dbraw/zinc/63/24/86/525632486.db2.gz ZEKVCHLBOXNNCB-HONMWMINSA-N 1 0 264.325 2.549 20 5 CFBDRO C[C@@H]1[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000361158036 525683002 /nfs/dbraw/zinc/68/30/02/525683002.db2.gz YVLYHKRQZHFTMU-APMKWMSLSA-N 1 0 289.379 2.632 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000166246865 525727576 /nfs/dbraw/zinc/72/75/76/525727576.db2.gz ZNEQDSOBUSWKJC-WBMJQRKESA-N 1 0 291.395 2.894 20 5 CFBDRO O=[N+]([O-])c1ccc2ccnc(NCC[NH+]3CCCC3)c2c1 ZINC000413023237 534885279 /nfs/dbraw/zinc/88/52/79/534885279.db2.gz AEAYYPSCTWXCMW-UHFFFAOYSA-N 1 0 286.335 2.651 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000368764445 525850159 /nfs/dbraw/zinc/85/01/59/525850159.db2.gz GNUJUOGFSHNNHZ-KBPBESRZSA-N 1 0 296.392 2.951 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000228039654 525919671 /nfs/dbraw/zinc/91/96/71/525919671.db2.gz FIUZTAPARLZTTN-RYUDHWBXSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000340142613 526005414 /nfs/dbraw/zinc/00/54/14/526005414.db2.gz HNNXRGUQCSTTBI-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000162720359 526059432 /nfs/dbraw/zinc/05/94/32/526059432.db2.gz LFOPIEFYRROYCU-YHWZYXNKSA-N 1 0 290.367 2.583 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+](C(C)C)C(C)C)n1 ZINC000162714693 526059535 /nfs/dbraw/zinc/05/95/35/526059535.db2.gz PFMNZYOETDUAMK-UHFFFAOYSA-N 1 0 280.372 2.829 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCO1 ZINC000067446456 526077809 /nfs/dbraw/zinc/07/78/09/526077809.db2.gz FSGRXURXMOBMDD-FZMZJTMJSA-N 1 0 264.325 2.767 20 5 CFBDRO Cc1cnc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361264228 526089955 /nfs/dbraw/zinc/08/99/55/526089955.db2.gz YEEBXKPZPTWRBS-CHWSQXEVSA-N 1 0 292.383 2.973 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCOCC1 ZINC000361744533 526090465 /nfs/dbraw/zinc/09/04/65/526090465.db2.gz NGJKLSFWCLNHQU-LBPRGKRZSA-N 1 0 264.325 2.687 20 5 CFBDRO Cc1cnc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361264229 526091533 /nfs/dbraw/zinc/09/15/33/526091533.db2.gz YEEBXKPZPTWRBS-STQMWFEESA-N 1 0 292.383 2.973 20 5 CFBDRO CC(C)(C)[NH2+]CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413119284 526331766 /nfs/dbraw/zinc/33/17/66/526331766.db2.gz NJHKTFYHVXWXRS-UHFFFAOYSA-N 1 0 288.351 2.943 20 5 CFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000269139027 536475133 /nfs/dbraw/zinc/47/51/33/536475133.db2.gz ZOYOCFXJGBJNTM-GDBMZVCRSA-N 1 0 289.379 2.511 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000305195251 527350525 /nfs/dbraw/zinc/35/05/25/527350525.db2.gz WCHHPRJIWXVHAI-QGZVFWFLSA-N 1 0 298.342 2.518 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCC2)c(Cl)c1 ZINC000053069121 527351114 /nfs/dbraw/zinc/35/11/14/527351114.db2.gz QRGDCXUEPACNED-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156183688 527358260 /nfs/dbraw/zinc/35/82/60/527358260.db2.gz CBBPOVQINLTOIP-NWDGAFQWSA-N 1 0 279.315 2.773 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000314767656 527367915 /nfs/dbraw/zinc/36/79/15/527367915.db2.gz AAWRFXHUZQKAPB-LLVKDONJSA-N 1 0 298.346 2.792 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCCS2)c1 ZINC000157952015 527386864 /nfs/dbraw/zinc/38/68/64/527386864.db2.gz BZUDRQUCQUTBIT-CYBMUJFWSA-N 1 0 266.366 2.970 20 5 CFBDRO Cn1cccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175986306 527397413 /nfs/dbraw/zinc/39/74/13/527397413.db2.gz FHISOYJMMCXWJE-UHFFFAOYSA-N 1 0 273.336 2.958 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@@H](CO)c2ccccc21 ZINC000364991807 527400494 /nfs/dbraw/zinc/40/04/94/527400494.db2.gz LRYZSBCSYRSWEC-BBRMVZONSA-N 1 0 298.342 2.905 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000061589434 527401146 /nfs/dbraw/zinc/40/11/46/527401146.db2.gz WVYPBPKBWKYJNR-LLVKDONJSA-N 1 0 252.339 2.580 20 5 CFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCCC23CCCC3)n1 ZINC000365830378 527407576 /nfs/dbraw/zinc/40/75/76/527407576.db2.gz FUGBDRBOLDWMIC-CYBMUJFWSA-N 1 0 292.383 2.884 20 5 CFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCF)n1 ZINC000361002981 527408752 /nfs/dbraw/zinc/40/87/52/527408752.db2.gz MOIZEBGSKSWOLG-VXGBXAGGSA-N 1 0 284.335 2.614 20 5 CFBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000227648487 527409799 /nfs/dbraw/zinc/40/97/99/527409799.db2.gz RRDFKJIIORZWMQ-UHFFFAOYSA-N 1 0 284.747 2.541 20 5 CFBDRO CC(C)c1ccc(CN[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414921084 528102168 /nfs/dbraw/zinc/10/21/68/528102168.db2.gz DDIDTZUFBWIKQZ-DOMZBBRYSA-N 1 0 291.395 2.806 20 5 CFBDRO CC(C)C[C@@H](CN)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414835156 528309916 /nfs/dbraw/zinc/30/99/16/528309916.db2.gz HEGMSVMQNCDWOP-ZFWWWQNUSA-N 1 0 293.411 2.879 20 5 CFBDRO CC(C)C[C@H](C[NH3+])N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423256538 528519384 /nfs/dbraw/zinc/51/93/84/528519384.db2.gz BYEPKTOUDFKTPV-DGCLKSJQSA-N 1 0 265.357 2.619 20 5 CFBDRO CCOc1ccc([C@H](C)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000423281438 528606583 /nfs/dbraw/zinc/60/65/83/528606583.db2.gz UZTXEQZBDBFRRG-WCQYABFASA-N 1 0 295.383 2.627 20 5 CFBDRO CCOCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192687513 528780181 /nfs/dbraw/zinc/78/01/81/528780181.db2.gz UUCXVXNTGPCLAY-CQSZACIVSA-N 1 0 264.325 2.598 20 5 CFBDRO CCCC[C@H](C[NH3+])N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423298275 528957547 /nfs/dbraw/zinc/95/75/47/528957547.db2.gz NWYOCMUPIBIVFR-DGCLKSJQSA-N 1 0 265.357 2.763 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000131902208 529333016 /nfs/dbraw/zinc/33/30/16/529333016.db2.gz KNUMBPDSTWZRNB-TZMCWYRMSA-N 1 0 266.341 2.797 20 5 CFBDRO CC(C)([NH2+]C[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000342220581 535247846 /nfs/dbraw/zinc/24/78/46/535247846.db2.gz CGFRHJNNJYUJKK-LBPRGKRZSA-N 1 0 278.352 2.846 20 5 CFBDRO CC[C@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192945073 536091900 /nfs/dbraw/zinc/09/19/00/536091900.db2.gz PNWUREMAQKQXGP-WBMJQRKESA-N 1 0 292.379 2.970 20 5 CFBDRO Cc1ccc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000754047495 574065938 /nfs/dbraw/zinc/06/59/38/574065938.db2.gz OJGVJJZQPZWCOH-CYBMUJFWSA-N 1 0 277.368 2.681 20 5 CFBDRO CC[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000727824115 574066571 /nfs/dbraw/zinc/06/65/71/574066571.db2.gz MCMZOAVKLJFEIN-LBPRGKRZSA-N 1 0 274.324 2.776 20 5 CFBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000728563354 574101264 /nfs/dbraw/zinc/10/12/64/574101264.db2.gz SDWTYYDFPPPFGP-CQSZACIVSA-N 1 0 286.335 2.776 20 5 CFBDRO C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+](C)C ZINC000731208505 574112878 /nfs/dbraw/zinc/11/28/78/574112878.db2.gz HTZJRXOBJOHGCV-QMMMGPOBSA-N 1 0 280.353 2.567 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000731678419 574126839 /nfs/dbraw/zinc/12/68/39/574126839.db2.gz MAKURTXBFHHMBZ-PFWMLDTASA-N 1 0 298.342 2.931 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000740860572 574270361 /nfs/dbraw/zinc/27/03/61/574270361.db2.gz QTKSPDOYVIWOHH-WDEREUQCSA-N 1 0 274.324 2.632 20 5 CFBDRO CC1(O)CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000749290443 574288497 /nfs/dbraw/zinc/28/84/97/574288497.db2.gz FMCGQQISGGNNOP-GQCTYLIASA-N 1 0 290.363 2.891 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@H]2c2ccccc2)c1 ZINC000749693964 574304882 /nfs/dbraw/zinc/30/48/82/574304882.db2.gz WNANCZZNSBOTSD-YESZJQIVSA-N 1 0 298.342 2.774 20 5 CFBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749939566 574316488 /nfs/dbraw/zinc/31/64/88/574316488.db2.gz ACNBJLQAWJCELA-NSHDSACASA-N 1 0 291.355 2.582 20 5 CFBDRO CC[C@H](C)C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954843 574318083 /nfs/dbraw/zinc/31/80/83/574318083.db2.gz ZRYQDHBQMPRXPK-JTQLQIEISA-N 1 0 291.355 2.583 20 5 CFBDRO CC[NH+](CC)CCSc1nc2ccccn2c1[N+](=O)[O-] ZINC000742254501 574321687 /nfs/dbraw/zinc/32/16/87/574321687.db2.gz OZUZUWZGEZGIET-UHFFFAOYSA-N 1 0 294.380 2.676 20 5 CFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000750080119 574323399 /nfs/dbraw/zinc/32/33/99/574323399.db2.gz HXVDKRQVGFWPQJ-AWEZNQCLSA-N 1 0 264.325 2.503 20 5 CFBDRO CC(=O)c1ccc(NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742424965 574329768 /nfs/dbraw/zinc/32/97/68/574329768.db2.gz IBZBHKYURGDGEK-LLVKDONJSA-N 1 0 291.351 2.694 20 5 CFBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000932348879 617679728 /nfs/dbraw/zinc/67/97/28/617679728.db2.gz UMTCRRVYDJAXQD-SNVBAGLBSA-N 1 0 284.743 2.859 20 5 CFBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000932348877 617679857 /nfs/dbraw/zinc/67/98/57/617679857.db2.gz UMTCRRVYDJAXQD-JTQLQIEISA-N 1 0 284.743 2.859 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)CCC(C)C)c1[N+](=O)[O-] ZINC000891601329 617681437 /nfs/dbraw/zinc/68/14/37/617681437.db2.gz FOTMUYKJHUFFMV-UHFFFAOYSA-N 1 0 282.340 2.787 20 5 CFBDRO C[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000120705731 617775722 /nfs/dbraw/zinc/77/57/22/617775722.db2.gz XBCKPNSNVHCWGE-GHMZBOCLSA-N 1 0 298.770 2.841 20 5 CFBDRO COc1c(O)ccc(C[N@H+](C)CC2CCCC2)c1[N+](=O)[O-] ZINC000891845658 617782778 /nfs/dbraw/zinc/78/27/78/617782778.db2.gz BXSXMHXXYLSKBT-UHFFFAOYSA-N 1 0 294.351 2.931 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000300615951 617822973 /nfs/dbraw/zinc/82/29/73/617822973.db2.gz VHULFADTUJKKBY-GMXVVIOVSA-N 1 0 264.325 2.670 20 5 CFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCCCC1 ZINC000176222028 617880488 /nfs/dbraw/zinc/88/04/88/617880488.db2.gz COCSJNZLSIFACE-UHFFFAOYSA-N 1 0 280.372 2.836 20 5 CFBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892146334 617972090 /nfs/dbraw/zinc/97/20/90/617972090.db2.gz XELSCXSXFAVEHI-HNNXBMFYSA-N 1 0 294.351 2.931 20 5 CFBDRO COc1c(O)ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892223923 618012995 /nfs/dbraw/zinc/01/29/95/618012995.db2.gz NPERETPSXYQMBT-UWVGGRQHSA-N 1 0 280.324 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1F ZINC000934386845 618027311 /nfs/dbraw/zinc/02/73/11/618027311.db2.gz SLTFSJAOGHYHSO-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933375548 618214883 /nfs/dbraw/zinc/21/48/83/618214883.db2.gz KTHRKYVKGRDFHK-CQSZACIVSA-N 1 0 276.336 2.786 20 5 CFBDRO CCC[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892440464 618275785 /nfs/dbraw/zinc/27/57/85/618275785.db2.gz CKWMYJIYPFQPTE-VIFPVBQESA-N 1 0 268.313 2.587 20 5 CFBDRO C[C@H](Nc1cc(N(C)C)ncn1)c1ccccc1[N+](=O)[O-] ZINC000895085256 618277344 /nfs/dbraw/zinc/27/73/44/618277344.db2.gz GMNALVPKPQYICS-JTQLQIEISA-N 1 0 287.323 2.624 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000235417732 618277907 /nfs/dbraw/zinc/27/79/07/618277907.db2.gz OWQHOEIQGKCUOZ-SKDRFNHKSA-N 1 0 284.743 2.905 20 5 CFBDRO CC[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000053294249 618295634 /nfs/dbraw/zinc/29/56/34/618295634.db2.gz WGYKFIGSHYVHPG-UHFFFAOYSA-N 1 0 263.322 2.828 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cc(C[NH2+]C2CC2)on1 ZINC000901393772 620803602 /nfs/dbraw/zinc/80/36/02/620803602.db2.gz CNDQORBZERBHNM-UHFFFAOYSA-N 1 0 259.265 2.502 20 5 CFBDRO CC(C)[C@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396840 620805185 /nfs/dbraw/zinc/80/51/85/620805185.db2.gz ZVLZMTYQSHWWKR-ZDUSSCGKSA-N 1 0 261.281 2.906 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833639 618729655 /nfs/dbraw/zinc/72/96/55/618729655.db2.gz AKANMBVZJFONRA-DCQANWLSSA-N 1 0 264.325 2.669 20 5 CFBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cnc1F ZINC000893067202 618819230 /nfs/dbraw/zinc/81/92/30/618819230.db2.gz LWZIEIFQAFGXIH-UHFFFAOYSA-N 1 0 289.310 2.770 20 5 CFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313523013 618995846 /nfs/dbraw/zinc/99/58/46/618995846.db2.gz MAAWHOMQYPWZCM-MFKMUULPSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792871918 619500950 /nfs/dbraw/zinc/50/09/50/619500950.db2.gz NUTWWYDFFSYHOG-UWVGGRQHSA-N 1 0 279.296 2.876 20 5 CFBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895623339 619570185 /nfs/dbraw/zinc/57/01/85/619570185.db2.gz OLXLPWJQPZELMH-PHIMTYICSA-N 1 0 284.743 2.763 20 5 CFBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)CC[N@@H+]1C ZINC000895738451 619597916 /nfs/dbraw/zinc/59/79/16/619597916.db2.gz LQQVUILFJZHJJO-GXFFZTMASA-N 1 0 286.335 2.648 20 5 CFBDRO C[C@@H]1[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895738089 619598078 /nfs/dbraw/zinc/59/80/78/619598078.db2.gz SWVADRWOLMYHLN-YGRLFVJLSA-N 1 0 286.335 2.648 20 5 CFBDRO CC1([NH+]2CCC2)CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000896254591 619703468 /nfs/dbraw/zinc/70/34/68/619703468.db2.gz JDMSSENWLJZJIL-UHFFFAOYSA-N 1 0 290.367 2.809 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1Cl ZINC000896411158 619731122 /nfs/dbraw/zinc/73/11/22/619731122.db2.gz FGZMEXLZUZUOFR-OCCSQVGLSA-N 1 0 296.754 2.905 20 5 CFBDRO C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000896584985 619767292 /nfs/dbraw/zinc/76/72/92/619767292.db2.gz RHBZMXVTESKUEU-BPJJOFIESA-N 1 0 276.336 2.719 20 5 CFBDRO CN(CC(C)(C)C[NH+](C)C)c1sccc1[N+](=O)[O-] ZINC000897419369 620113564 /nfs/dbraw/zinc/11/35/64/620113564.db2.gz IIRNQCFOEBZAKJ-UHFFFAOYSA-N 1 0 271.386 2.680 20 5 CFBDRO C[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897458972 620176390 /nfs/dbraw/zinc/17/63/90/620176390.db2.gz GVDSDATYQVDHRR-STQMWFEESA-N 1 0 290.363 3.000 20 5 CFBDRO Cc1c[nH]c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897460426 620176809 /nfs/dbraw/zinc/17/68/09/620176809.db2.gz HHKKOTIVZIWNHW-SNVBAGLBSA-N 1 0 274.324 2.520 20 5 CFBDRO C[C@H](C[NH2+]CCC[C@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000897461102 620176814 /nfs/dbraw/zinc/17/68/14/620176814.db2.gz LGIBTGQNWNECEM-OLZOCXBDSA-N 1 0 278.352 2.857 20 5 CFBDRO Cc1ncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000897459829 620176896 /nfs/dbraw/zinc/17/68/96/620176896.db2.gz CIXBJAWOOUTICX-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000897463769 620177036 /nfs/dbraw/zinc/17/70/36/620177036.db2.gz IPWIAKZBQHMDCM-NSHDSACASA-N 1 0 288.351 2.530 20 5 CFBDRO Cc1cnc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897465403 620177078 /nfs/dbraw/zinc/17/70/78/620177078.db2.gz VOMRPRLIXVKTIP-JTQLQIEISA-N 1 0 275.308 2.785 20 5 CFBDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465238 620177151 /nfs/dbraw/zinc/17/71/51/620177151.db2.gz UJXWQNOCMNTZFG-NMKXLXIOSA-N 1 0 278.352 2.854 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC000897505253 620195091 /nfs/dbraw/zinc/19/50/91/620195091.db2.gz JSYDNAJWLXBUAA-HZPDHXFCSA-N 1 0 290.363 2.685 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000897539777 620228687 /nfs/dbraw/zinc/22/86/87/620228687.db2.gz SQJOAMWOIXSYRO-HOCLYGCPSA-N 1 0 292.379 2.934 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000925310700 620243577 /nfs/dbraw/zinc/24/35/77/620243577.db2.gz OYTVVDGICAJULL-GOEBONIOSA-N 1 0 290.363 2.890 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897846720 620292936 /nfs/dbraw/zinc/29/29/36/620292936.db2.gz UVWRNTIHAIQUAE-SFKKEIEWSA-N 1 0 288.347 2.501 20 5 CFBDRO CC1(C)CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000898035718 620327956 /nfs/dbraw/zinc/32/79/56/620327956.db2.gz XHZFITCTQVELSX-UHFFFAOYSA-N 1 0 295.358 2.555 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C1CC1 ZINC000898204422 620344610 /nfs/dbraw/zinc/34/46/10/620344610.db2.gz UDIMMTNLHBTALE-YHVDPYDOSA-N 1 0 290.363 2.749 20 5 CFBDRO [NH3+][C@H]1CCC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059118 620423324 /nfs/dbraw/zinc/42/33/24/620423324.db2.gz XVWXPNQFHCXDNJ-NWDGAFQWSA-N 1 0 283.759 2.608 20 5 CFBDRO [NH3+][C@H]1CCC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841059119 620423488 /nfs/dbraw/zinc/42/34/88/620423488.db2.gz XVWXPNQFHCXDNJ-RYUDHWBXSA-N 1 0 283.759 2.608 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000923891734 620444475 /nfs/dbraw/zinc/44/44/75/620444475.db2.gz IOEBIGLQBWIVTC-AWEZNQCLSA-N 1 0 292.335 2.511 20 5 CFBDRO Cc1cnc(OCCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000899628485 620588153 /nfs/dbraw/zinc/58/81/53/620588153.db2.gz AZMUIUHNBSFZPP-YHWZYXNKSA-N 1 0 291.351 2.598 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)C2CCCC2)c1 ZINC000042503515 620932922 /nfs/dbraw/zinc/93/29/22/620932922.db2.gz SWLAIACPTZXOJQ-UHFFFAOYSA-N 1 0 298.770 2.985 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903074953 621243212 /nfs/dbraw/zinc/24/32/12/621243212.db2.gz QDDJRHUAJYIQOZ-VXGBXAGGSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903080260 621245223 /nfs/dbraw/zinc/24/52/23/621245223.db2.gz PWKZQXXUTVIYPN-NHCYSSNCSA-N 1 0 264.325 2.910 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903098131 621251433 /nfs/dbraw/zinc/25/14/33/621251433.db2.gz YIEYWWNOILFCSH-NHYWBVRUSA-N 1 0 296.367 2.805 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](OC)C(C)C)cc([N+](=O)[O-])c1 ZINC000903104466 621254542 /nfs/dbraw/zinc/25/45/42/621254542.db2.gz IPIIIEXUMUZSSI-IAQYHMDHSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([C@H](C)[NH2+]C2CC=CC2)cc([N+](=O)[O-])c1 ZINC000903110651 621257061 /nfs/dbraw/zinc/25/70/61/621257061.db2.gz FJKNRTHNUNAXJR-JTQLQIEISA-N 1 0 262.309 2.973 20 5 CFBDRO COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)cc([N+](=O)[O-])c1 ZINC000903096271 621258779 /nfs/dbraw/zinc/25/87/79/621258779.db2.gz BNNHEGVCDOXWEA-ABAIWWIYSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([C@H](C)[NH2+]CC2(O)CCCC2)cc([N+](=O)[O-])c1 ZINC000903096928 621259335 /nfs/dbraw/zinc/25/93/35/621259335.db2.gz NJHAARLORDCWDK-NSHDSACASA-N 1 0 294.351 2.559 20 5 CFBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903121340 621260964 /nfs/dbraw/zinc/26/09/64/621260964.db2.gz QXSDGYVWTLXBSE-KOLCDFICSA-N 1 0 282.365 2.760 20 5 CFBDRO CO[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903146579 621267990 /nfs/dbraw/zinc/26/79/90/621267990.db2.gz HSYHVJFFFHHBPT-OCCSQVGLSA-N 1 0 298.770 2.948 20 5 CFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903151415 621273496 /nfs/dbraw/zinc/27/34/96/621273496.db2.gz DTUFJVNEBJOXNP-FTGSRHIXSA-N 1 0 294.351 2.581 20 5 CFBDRO COc1cc([C@H](C)[NH2+][C@@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903201178 621283980 /nfs/dbraw/zinc/28/39/80/621283980.db2.gz WTPHSAXLVMOOGW-CMPLNLGQSA-N 1 0 262.309 2.973 20 5 CFBDRO C/C=C/C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903205656 621287404 /nfs/dbraw/zinc/28/74/04/621287404.db2.gz DJEVJNGLNAMXTI-ORAHPGNNSA-N 1 0 250.298 2.830 20 5 CFBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903210156 621288920 /nfs/dbraw/zinc/28/89/20/621288920.db2.gz UELODLOIOGZABU-YPMHNXCESA-N 1 0 296.367 2.805 20 5 CFBDRO COC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000903246208 621297781 /nfs/dbraw/zinc/29/77/81/621297781.db2.gz SFRBRLZJJXPFID-TZMCWYRMSA-N 1 0 280.368 2.959 20 5 CFBDRO C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903258400 621301837 /nfs/dbraw/zinc/30/18/37/621301837.db2.gz CBZGHMSZIAXGPC-GFCCVEGCSA-N 1 0 290.363 2.941 20 5 CFBDRO C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286833 621318594 /nfs/dbraw/zinc/31/85/94/621318594.db2.gz HWNLDXFPUMIJMN-MISXGVKJSA-N 1 0 264.325 2.670 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cccc1[N+](=O)[O-] ZINC000903287544 621319079 /nfs/dbraw/zinc/31/90/79/621319079.db2.gz DMJXLYPLZDHNLV-HPTZYISWSA-N 1 0 288.347 2.730 20 5 CFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000903396047 621353480 /nfs/dbraw/zinc/35/34/80/621353480.db2.gz PDGGIRLYKJTWLM-MDZLAQPJSA-N 1 0 294.351 2.679 20 5 CFBDRO C[NH2+]CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000903572256 621398227 /nfs/dbraw/zinc/39/82/27/621398227.db2.gz LLHXXJDDZUWOHJ-UHFFFAOYSA-N 1 0 285.775 2.678 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1C ZINC000904075020 621516809 /nfs/dbraw/zinc/51/68/09/621516809.db2.gz DZRKIYTWFIYZFP-JTQLQIEISA-N 1 0 288.307 2.686 20 5 CFBDRO O=[N+]([O-])CC[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000905155688 621705187 /nfs/dbraw/zinc/70/51/87/621705187.db2.gz QLLFYQUEIXCQTJ-QGZVFWFLSA-N 1 0 284.359 2.879 20 5 CFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)CC[NH2+]C(C)(C)C ZINC000905192317 621714270 /nfs/dbraw/zinc/71/42/70/621714270.db2.gz ZCZLASMJYODUOL-UHFFFAOYSA-N 1 0 297.330 2.759 20 5 CFBDRO CC1(C)C[C@]1(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905428159 621769274 /nfs/dbraw/zinc/76/92/74/621769274.db2.gz ZBXJIRTWHFDAMV-UKRRQHHQSA-N 1 0 278.352 2.654 20 5 CFBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905473898 621773697 /nfs/dbraw/zinc/77/36/97/621773697.db2.gz OGNUYIKLRLLCNP-CEVLKMKRSA-N 1 0 290.363 2.510 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000905608483 621796147 /nfs/dbraw/zinc/79/61/47/621796147.db2.gz MUWZBUYZWWNAMH-MPKXVKKWSA-N 1 0 296.392 2.502 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000222763274 622967795 /nfs/dbraw/zinc/96/77/95/622967795.db2.gz RLYSBEVTQRCBDB-TUAOUCFPSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000222965185 622977620 /nfs/dbraw/zinc/97/76/20/622977620.db2.gz NQNCRIRJWXTMTN-BXUZGUMPSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000224116058 622997677 /nfs/dbraw/zinc/99/76/77/622997677.db2.gz NSWIAUXZTRSCDL-OUCADQQQSA-N 1 0 277.368 2.728 20 5 CFBDRO CC[NH+](CC)C[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000045704823 623013642 /nfs/dbraw/zinc/01/36/42/623013642.db2.gz WXVYMSCTJKTSAH-LBPRGKRZSA-N 1 0 279.384 2.723 20 5 CFBDRO CCCC[N@H+](CCOC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171952679 623249689 /nfs/dbraw/zinc/24/96/89/623249689.db2.gz KWJIIMYWONYJLJ-UHFFFAOYSA-N 1 0 284.331 2.982 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062350984 623265867 /nfs/dbraw/zinc/26/58/67/623265867.db2.gz QXBCFDONOOYGSB-HIFRSBDPSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000230671160 623289430 /nfs/dbraw/zinc/28/94/30/623289430.db2.gz OGKWQOKSYZAZQN-UXIGCNINSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000824006415 623431550 /nfs/dbraw/zinc/43/15/50/623431550.db2.gz BSQPHGDTHRVBMR-GSJFWJNXSA-N 1 0 298.770 2.889 20 5 CFBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cs1 ZINC000824383488 623498725 /nfs/dbraw/zinc/49/87/25/623498725.db2.gz NYOISJNYRQNYGO-UHFFFAOYSA-N 1 0 291.376 2.930 20 5 CFBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000094797059 623529437 /nfs/dbraw/zinc/52/94/37/623529437.db2.gz SXVSPVNCWGHZHD-CYBMUJFWSA-N 1 0 284.743 2.907 20 5 CFBDRO CC[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000153339382 623932414 /nfs/dbraw/zinc/93/24/14/623932414.db2.gz YOVBKBBWLRFNBU-CYBMUJFWSA-N 1 0 280.372 2.878 20 5 CFBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000827288551 623982170 /nfs/dbraw/zinc/98/21/70/623982170.db2.gz ZMAPNZVTCRTTOG-ZDUSSCGKSA-N 1 0 291.351 2.694 20 5 CFBDRO CC[N@@H+]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368144 624073582 /nfs/dbraw/zinc/07/35/82/624073582.db2.gz RTCMUZOZMBRRIR-CYBMUJFWSA-N 1 0 297.786 2.822 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CNCCC[NH+]2CCCC2)c1 ZINC000035368192 624074640 /nfs/dbraw/zinc/07/46/40/624074640.db2.gz UMYXPNXIRANGSV-UHFFFAOYSA-N 1 0 297.786 2.824 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000829572229 624456999 /nfs/dbraw/zinc/45/69/99/624456999.db2.gz HLUXTTOAGWNRHG-LBPRGKRZSA-N 1 0 281.331 2.653 20 5 CFBDRO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000830999831 624951050 /nfs/dbraw/zinc/95/10/50/624951050.db2.gz WNOAMXPMQHVMHL-UHFFFAOYSA-N 1 0 272.345 2.919 20 5 CFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831392193 625008233 /nfs/dbraw/zinc/00/82/33/625008233.db2.gz HLBXKCNMAWWGQA-QCZZGDTMSA-N 1 0 296.342 2.883 20 5 CFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000831971970 625198805 /nfs/dbraw/zinc/19/88/05/625198805.db2.gz YRPIVNHZBDOONY-ZDUSSCGKSA-N 1 0 295.358 2.650 20 5 CFBDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000832186737 625240168 /nfs/dbraw/zinc/24/01/68/625240168.db2.gz FTBPWVCFFYZBDU-GFCCVEGCSA-N 1 0 295.358 2.650 20 5 CFBDRO CC(C)(C)C1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000840763729 625910381 /nfs/dbraw/zinc/91/03/81/625910381.db2.gz KHTMVJMJHFDYTB-AWEZNQCLSA-N 1 0 278.352 2.606 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC000922699198 626344353 /nfs/dbraw/zinc/34/43/53/626344353.db2.gz SQRKRVIBMUGRDO-HZPDHXFCSA-N 1 0 290.363 2.952 20 5 CFBDRO CCC[C@H](O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000922826493 626371321 /nfs/dbraw/zinc/37/13/21/626371321.db2.gz ZVCCERNNPSJOKX-ZDUSSCGKSA-N 1 0 266.341 2.544 20 5 CFBDRO Cc1c(C[NH2+]CC2(O)CCCCC2)cccc1[N+](=O)[O-] ZINC000087029172 626479309 /nfs/dbraw/zinc/47/93/09/626479309.db2.gz ALICDGHFIWTCPV-UHFFFAOYSA-N 1 0 278.352 2.688 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000764767415 627092161 /nfs/dbraw/zinc/09/21/61/627092161.db2.gz IRXZBSXMGMNXPG-SMDDNHRTSA-N 1 0 290.319 2.880 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000766272568 627189723 /nfs/dbraw/zinc/18/97/23/627189723.db2.gz YWAVGOKXJINYJS-QWHCGFSZSA-N 1 0 277.368 2.730 20 5 CFBDRO CCCCC[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000767763193 627283372 /nfs/dbraw/zinc/28/33/72/627283372.db2.gz RZAHMUVSUKOFKD-LBPRGKRZSA-N 1 0 266.345 2.794 20 5 CFBDRO C[N@H+](CC(N)=O)Cc1c2ccccc2cc2ccccc21 ZINC000768246478 627329109 /nfs/dbraw/zinc/32/91/09/627329109.db2.gz WUHJISCRSGGPDO-UHFFFAOYSA-N 1 0 278.355 2.910 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CC(C(F)F)C2)cc1 ZINC000769509872 627449103 /nfs/dbraw/zinc/44/91/03/627449103.db2.gz PULCDFXPWYHEMT-UHFFFAOYSA-N 1 0 286.278 2.607 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000851920529 634589634 /nfs/dbraw/zinc/58/96/34/634589634.db2.gz BBKYEJKYHFLZPA-UHFFFAOYSA-N 1 0 296.342 2.718 20 5 CFBDRO CC[C@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000775387206 628018650 /nfs/dbraw/zinc/01/86/50/628018650.db2.gz KOGFZQONBVXIPL-HNNXBMFYSA-N 1 0 288.351 2.706 20 5 CFBDRO CO[C@@H]1CC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000852038765 634632807 /nfs/dbraw/zinc/63/28/07/634632807.db2.gz RHKUSQSVWLXGIA-UONOGXRCSA-N 1 0 278.352 2.637 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000776581898 628160223 /nfs/dbraw/zinc/16/02/23/628160223.db2.gz OMYRTFKQOSOZPC-CABCVRRESA-N 1 0 276.336 2.503 20 5 CFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579529 628160396 /nfs/dbraw/zinc/16/03/96/628160396.db2.gz MOAWOBQTATZVPG-RISCZKNCSA-N 1 0 290.319 2.914 20 5 CFBDRO CC[N@@H+](Cc1ccoc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581317 628160795 /nfs/dbraw/zinc/16/07/95/628160795.db2.gz GUXDWUSQJOIAJK-OAHLLOKOSA-N 1 0 290.319 2.743 20 5 CFBDRO C[C@H]1CCCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584352 628161498 /nfs/dbraw/zinc/16/14/98/628161498.db2.gz MTBZRZAWYPHFMB-WFASDCNBSA-N 1 0 278.352 2.893 20 5 CFBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776591362 628162056 /nfs/dbraw/zinc/16/20/56/628162056.db2.gz LNLXTMUWZWSCFJ-OAHLLOKOSA-N 1 0 278.352 2.891 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000776587102 628162098 /nfs/dbraw/zinc/16/20/98/628162098.db2.gz FCRMYSVARLLYHK-APHBMKBZSA-N 1 0 290.363 2.893 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776591256 628162357 /nfs/dbraw/zinc/16/23/57/628162357.db2.gz IKQBBZKGMVVVOZ-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589178 628162441 /nfs/dbraw/zinc/16/24/41/628162441.db2.gz PVSFPUWAZUYZHE-TYNCELHUSA-N 1 0 278.352 2.749 20 5 CFBDRO CSCC[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592319 628162970 /nfs/dbraw/zinc/16/29/70/628162970.db2.gz KXOYGHNWZRIJBY-BXUZGUMPSA-N 1 0 298.408 2.702 20 5 CFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781980254 628594726 /nfs/dbraw/zinc/59/47/26/628594726.db2.gz FFQHFJLIVAFYIU-ZBFHGGJFSA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000783563523 628720897 /nfs/dbraw/zinc/72/08/97/628720897.db2.gz XUKREOBTXRXZAO-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783667932 628733020 /nfs/dbraw/zinc/73/30/20/628733020.db2.gz VCYHNRLMOFYHRM-ZANVPECISA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000784352433 628808884 /nfs/dbraw/zinc/80/88/84/628808884.db2.gz NXIGTWVWAVMROG-IUODEOHRSA-N 1 0 292.379 2.996 20 5 CFBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000784384750 628813045 /nfs/dbraw/zinc/81/30/45/628813045.db2.gz DTISXGDEUGOJEM-CJNGLKHVSA-N 1 0 290.363 2.916 20 5 CFBDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000785424315 628882320 /nfs/dbraw/zinc/88/23/20/628882320.db2.gz YHRSQCMYZYPRCT-UHFFFAOYSA-N 1 0 275.283 2.727 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000786578873 628969381 /nfs/dbraw/zinc/96/93/81/628969381.db2.gz KOHIBICYSNVSQR-IUCAKERBSA-N 1 0 272.732 2.761 20 5 CFBDRO CC[C@H](C)[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852290487 634711535 /nfs/dbraw/zinc/71/15/35/634711535.db2.gz JILHGKKEBCEYFJ-FZMZJTMJSA-N 1 0 266.341 2.749 20 5 CFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000789450735 629157470 /nfs/dbraw/zinc/15/74/70/629157470.db2.gz PMEYRXDBMDBIAQ-DVZHBHJUSA-N 1 0 292.379 2.995 20 5 CFBDRO CC(C)(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC000791052482 629284214 /nfs/dbraw/zinc/28/42/14/629284214.db2.gz OHCISFBZGHPFCU-LBPRGKRZSA-N 1 0 254.305 2.779 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424974 634742500 /nfs/dbraw/zinc/74/25/00/634742500.db2.gz HTJFIXHWLQHMGN-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852457088 634750057 /nfs/dbraw/zinc/75/00/57/634750057.db2.gz OQCDQKHBQHATTQ-BXUZGUMPSA-N 1 0 296.342 2.717 20 5 CFBDRO CC1=C[C@H](C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797526740 630077110 /nfs/dbraw/zinc/07/71/10/630077110.db2.gz XORMSXMDTWEAEZ-NHYWBVRUSA-N 1 0 276.336 2.526 20 5 CFBDRO Cc1ccc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000798405121 630187556 /nfs/dbraw/zinc/18/75/56/630187556.db2.gz YXCGVCHIORRJHB-UHFFFAOYSA-N 1 0 277.368 2.825 20 5 CFBDRO CC(C)[C@@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000798819829 630242287 /nfs/dbraw/zinc/24/22/87/630242287.db2.gz KYQOTYYDQVAHEK-FZMZJTMJSA-N 1 0 294.351 2.785 20 5 CFBDRO Cc1cc(COC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000798851326 630246407 /nfs/dbraw/zinc/24/64/07/630246407.db2.gz ZBWKSPANXZNKIF-CQSZACIVSA-N 1 0 294.351 2.533 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800869801 630413255 /nfs/dbraw/zinc/41/32/55/630413255.db2.gz DVHPMSQIJSAYSO-AWEZNQCLSA-N 1 0 292.383 2.709 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCCCC1 ZINC000807926215 630923280 /nfs/dbraw/zinc/92/32/80/630923280.db2.gz FPNWLJMKMKIINM-UHFFFAOYSA-N 1 0 291.351 2.695 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1CC[NH+](C)CC1 ZINC000807955636 630926281 /nfs/dbraw/zinc/92/62/81/630926281.db2.gz CTCKMWGZWKCFOL-UHFFFAOYSA-N 1 0 291.351 2.551 20 5 CFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000807968018 630927179 /nfs/dbraw/zinc/92/71/79/630927179.db2.gz GOYGSKJFMNZMEY-GFCCVEGCSA-N 1 0 291.351 2.551 20 5 CFBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000837336039 631004114 /nfs/dbraw/zinc/00/41/14/631004114.db2.gz YSFJBGFRKGRZCG-LLVKDONJSA-N 1 0 296.323 2.608 20 5 CFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840834941 631235295 /nfs/dbraw/zinc/23/52/95/631235295.db2.gz CHGKRIXIIADVKG-MNOVXSKESA-N 1 0 281.356 2.500 20 5 CFBDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000840884028 631251048 /nfs/dbraw/zinc/25/10/48/631251048.db2.gz JBSSZGNRKBZRKW-MNOVXSKESA-N 1 0 293.367 2.785 20 5 CFBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000809697336 631266113 /nfs/dbraw/zinc/26/61/13/631266113.db2.gz FBEWSBIXSUAJDI-LLVKDONJSA-N 1 0 297.786 2.774 20 5 CFBDRO CCC[C@H](C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809736522 631273578 /nfs/dbraw/zinc/27/35/78/631273578.db2.gz YIFJYPYFZSZUDS-LBPRGKRZSA-N 1 0 265.357 2.796 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000841030582 631310195 /nfs/dbraw/zinc/31/01/95/631310195.db2.gz OEVBABDGDZPRHZ-FOSCPWQOSA-N 1 0 295.770 2.621 20 5 CFBDRO CN1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841746601 631463417 /nfs/dbraw/zinc/46/34/17/631463417.db2.gz IZRFBZFWFVWQHD-CZUORRHYSA-N 1 0 289.379 2.656 20 5 CFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000841890242 631489246 /nfs/dbraw/zinc/48/92/46/631489246.db2.gz LSZDSRHZRJDASK-OUAUKWLOSA-N 1 0 293.323 2.979 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000843054118 631817967 /nfs/dbraw/zinc/81/79/67/631817967.db2.gz DQHIJVDDFYQYGE-NEPJUHHUSA-N 1 0 295.770 2.575 20 5 CFBDRO CC(C)[C@H]([NH3+])c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000843146950 631859590 /nfs/dbraw/zinc/85/95/90/631859590.db2.gz VPNCJCSMHDMMOD-LJLILKBBSA-N 1 0 288.307 2.804 20 5 CFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843361404 631938431 /nfs/dbraw/zinc/93/84/31/631938431.db2.gz ZPDLZWHLNJXOTD-AGUYFDCRSA-N 1 0 293.342 2.578 20 5 CFBDRO CC(C)[C@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000814251967 632045660 /nfs/dbraw/zinc/04/56/60/632045660.db2.gz YOMXLYMXQSXIQU-LSDHHAIUSA-N 1 0 292.379 2.995 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC23CCCC3)cc1 ZINC000844276449 632152497 /nfs/dbraw/zinc/15/24/97/632152497.db2.gz TYFVANVFWURMFP-CQSZACIVSA-N 1 0 276.336 2.647 20 5 CFBDRO CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000844405387 632197074 /nfs/dbraw/zinc/19/70/74/632197074.db2.gz XAXGZNIDXYZVPP-CYBMUJFWSA-N 1 0 282.315 2.735 20 5 CFBDRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581387 632291156 /nfs/dbraw/zinc/29/11/56/632291156.db2.gz FDBVMMKBWCSJTP-UWVGGRQHSA-N 1 0 283.397 2.969 20 5 CFBDRO Cc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105908971 632434604 /nfs/dbraw/zinc/43/46/04/632434604.db2.gz RKIQVDRBTDGFMO-INIZCTEOSA-N 1 0 286.331 2.726 20 5 CFBDRO CCOC(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000105921632 632451789 /nfs/dbraw/zinc/45/17/89/632451789.db2.gz CBMGGSYZOZCPTA-LLVKDONJSA-N 1 0 282.340 2.645 20 5 CFBDRO CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000847025936 632893041 /nfs/dbraw/zinc/89/30/41/632893041.db2.gz KJJPYTQARZBCCW-CQSZACIVSA-N 1 0 266.341 2.749 20 5 CFBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819041294 632940118 /nfs/dbraw/zinc/94/01/18/632940118.db2.gz CHHULCTVSPQSMD-CQSZACIVSA-N 1 0 278.352 2.798 20 5 CFBDRO CC(C)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819140279 632982161 /nfs/dbraw/zinc/98/21/61/632982161.db2.gz AWPZIHPGJNLNGW-CQSZACIVSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2(F)CCC2)c1 ZINC000819310995 633068651 /nfs/dbraw/zinc/06/86/51/633068651.db2.gz GJYRSKACQYDBRX-ZDUSSCGKSA-N 1 0 282.315 2.500 20 5 CFBDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819363584 633112201 /nfs/dbraw/zinc/11/22/01/633112201.db2.gz JOQXNFNMLROTQU-ZNMIVQPWSA-N 1 0 278.352 2.652 20 5 CFBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2CCCCC2)c1 ZINC000848473950 633263476 /nfs/dbraw/zinc/26/34/76/633263476.db2.gz RXBKCVODIRAFKJ-UHFFFAOYSA-N 1 0 286.335 2.902 20 5 CFBDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848526256 633276606 /nfs/dbraw/zinc/27/66/06/633276606.db2.gz VAYVUVOGQHOCSK-ABAIWWIYSA-N 1 0 298.346 2.593 20 5 CFBDRO CC1(O)CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000848531046 633279045 /nfs/dbraw/zinc/27/90/45/633279045.db2.gz JYSNKTAQOVTTAR-WMEQCIOUSA-N 1 0 290.363 2.865 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCCCO ZINC000848538407 633282194 /nfs/dbraw/zinc/28/21/94/633282194.db2.gz YAGYAJWNGLCEFR-AWEZNQCLSA-N 1 0 278.352 2.724 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)OCC[NH+]1CCCCC1 ZINC000849185779 633581653 /nfs/dbraw/zinc/58/16/53/633581653.db2.gz QMODAMGZXQBZFS-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000849330535 633619722 /nfs/dbraw/zinc/61/97/22/633619722.db2.gz UWWYEENXLOSJDO-DDUYRFODSA-N 1 0 290.363 2.654 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C=CCC1 ZINC000850508798 634023608 /nfs/dbraw/zinc/02/36/08/634023608.db2.gz OKPBIFRJERBIGJ-MNOVXSKESA-N 1 0 262.309 2.973 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C=CCC1 ZINC000850508799 634024168 /nfs/dbraw/zinc/02/41/68/634024168.db2.gz OKPBIFRJERBIGJ-QWRGUYRKSA-N 1 0 262.309 2.973 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C=CCC1 ZINC000850511257 634024552 /nfs/dbraw/zinc/02/45/52/634024552.db2.gz AOLLLBSZMFAUSJ-NWDGAFQWSA-N 1 0 289.335 2.620 20 5 CFBDRO CC12CC(C1)C[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852787435 634837426 /nfs/dbraw/zinc/83/74/26/634837426.db2.gz VJVGNGIVQVIJSK-UHFFFAOYSA-N 1 0 250.273 2.718 20 5 CFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000853867465 635139614 /nfs/dbraw/zinc/13/96/14/635139614.db2.gz KLCUOKXLJDIMDY-LBPRGKRZSA-N 1 0 292.383 2.709 20 5 CFBDRO COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000048346644 650262750 /nfs/dbraw/zinc/26/27/50/650262750.db2.gz LMQGKQPSFWJQAM-UHFFFAOYSA-N 1 0 276.336 2.882 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000159960890 650286044 /nfs/dbraw/zinc/28/60/44/650286044.db2.gz OLNVWBBGVVQSFE-NEPJUHHUSA-N 1 0 288.351 2.880 20 5 CFBDRO C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000159975340 650287169 /nfs/dbraw/zinc/28/71/69/650287169.db2.gz RJQRLHDIPGELKZ-NEPJUHHUSA-N 1 0 288.351 2.880 20 5 CFBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000865734434 638544183 /nfs/dbraw/zinc/54/41/83/638544183.db2.gz YFMIFATYXNAUCO-HOMQSWHASA-N 1 0 270.329 2.718 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H](O)C2CCCC2)c1 ZINC000865875238 638635375 /nfs/dbraw/zinc/63/53/75/638635375.db2.gz HMSQLEFAJQQRFL-HNNXBMFYSA-N 1 0 278.352 2.626 20 5 CFBDRO Cc1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC000865877538 638637722 /nfs/dbraw/zinc/63/77/22/638637722.db2.gz ZGCNEKMESHJRBB-MRXNPFEDSA-N 1 0 292.379 2.934 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](C)C(C)(C)CC1 ZINC000866112526 638743244 /nfs/dbraw/zinc/74/32/44/638743244.db2.gz DXVPXGYMXJGDHU-UHFFFAOYSA-N 1 0 293.367 2.524 20 5 CFBDRO C[NH+](C)C1(C)CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000866146758 638758052 /nfs/dbraw/zinc/75/80/52/638758052.db2.gz ASAFBVFPYXGUOU-UHFFFAOYSA-N 1 0 292.383 2.852 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207715 638770401 /nfs/dbraw/zinc/77/04/01/638770401.db2.gz JDYATYMFMBMXQR-CMPLNLGQSA-N 1 0 295.770 2.779 20 5 CFBDRO C[N@@H+]1CC[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207950 638771074 /nfs/dbraw/zinc/77/10/74/638771074.db2.gz RYJRNHUYSPJNPO-CMPLNLGQSA-N 1 0 295.770 2.779 20 5 CFBDRO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000866209149 638771477 /nfs/dbraw/zinc/77/14/77/638771477.db2.gz PPSXFMHEMVLYAG-WCQYABFASA-N 1 0 293.342 2.573 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCOCC1 ZINC000866250966 638780237 /nfs/dbraw/zinc/78/02/37/638780237.db2.gz HAIDAEKSUBWCGU-LLVKDONJSA-N 1 0 296.342 2.681 20 5 CFBDRO CCC[C@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265030 638783958 /nfs/dbraw/zinc/78/39/58/638783958.db2.gz HOJPQEVUJPEOOG-ABAIWWIYSA-N 1 0 298.358 2.806 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000866273332 638786771 /nfs/dbraw/zinc/78/67/71/638786771.db2.gz KBJKQGXHKYEFNV-NQBHXWOUSA-N 1 0 296.342 2.680 20 5 CFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C)C1 ZINC000866309832 638794760 /nfs/dbraw/zinc/79/47/60/638794760.db2.gz BKABUIRPZRRHRB-GYSYKLTISA-N 1 0 296.342 2.822 20 5 CFBDRO CCOC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866341934 638799653 /nfs/dbraw/zinc/79/96/53/638799653.db2.gz CHDTYUVFSLALDZ-MNOVXSKESA-N 1 0 284.331 2.680 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000866342037 638799753 /nfs/dbraw/zinc/79/97/53/638799753.db2.gz AQGXLBAHAGFLMB-XEGUGMAKSA-N 1 0 296.342 2.558 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345015 638800325 /nfs/dbraw/zinc/80/03/25/638800325.db2.gz FCBQXRPWZGWUOS-GARJFASQSA-N 1 0 284.331 2.678 20 5 CFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000866384572 638811034 /nfs/dbraw/zinc/81/10/34/638811034.db2.gz ZNPVZAXBLCUHLY-FWHFQCOYSA-N 1 0 294.326 2.574 20 5 CFBDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866408554 638816784 /nfs/dbraw/zinc/81/67/84/638816784.db2.gz ANDQKPFZQFHGRT-MRVPVSSYSA-N 1 0 255.293 2.576 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccnc(F)c1 ZINC000866474798 638827209 /nfs/dbraw/zinc/82/72/09/638827209.db2.gz ODVLPIMISJQIPR-ZDUSSCGKSA-N 1 0 287.294 2.906 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725238 638871101 /nfs/dbraw/zinc/87/11/01/638871101.db2.gz QFDAPKMYBZZXOV-GXTWGEPZSA-N 1 0 295.770 2.575 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725241 638871166 /nfs/dbraw/zinc/87/11/66/638871166.db2.gz QFDAPKMYBZZXOV-TZMCWYRMSA-N 1 0 295.770 2.575 20 5 CFBDRO C[NH2+]C[C@@H](C)c1noc(-c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000871784694 641455719 /nfs/dbraw/zinc/45/57/19/641455719.db2.gz HAZJTKSMTAAGEI-SECBINFHSA-N 1 0 290.323 2.585 20 5 CFBDRO CCC(CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000019232194 641497458 /nfs/dbraw/zinc/49/74/58/641497458.db2.gz CIOSTNQESRVVDM-UHFFFAOYSA-N 1 0 252.314 2.882 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000872035981 641568546 /nfs/dbraw/zinc/56/85/46/641568546.db2.gz RGGDQMHBRLZSAD-GXFFZTMASA-N 1 0 298.408 2.984 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCO ZINC000872039594 641574645 /nfs/dbraw/zinc/57/46/45/641574645.db2.gz TZYFUCOQPALZEX-ZJUUUORDSA-N 1 0 284.381 2.738 20 5 CFBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049736 641583795 /nfs/dbraw/zinc/58/37/95/641583795.db2.gz UWLJABYURXKVRG-GHMZBOCLSA-N 1 0 284.331 2.936 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000872053855 641587975 /nfs/dbraw/zinc/58/79/75/641587975.db2.gz XPVAWSQBHNWTNG-VHSXEESVSA-N 1 0 282.365 2.756 20 5 CFBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053568 641588172 /nfs/dbraw/zinc/58/81/72/641588172.db2.gz YLKHPNQTEKXVJR-MNOVXSKESA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062589 641594490 /nfs/dbraw/zinc/59/44/90/641594490.db2.gz NNILNNSVJQBBRM-MNOVXSKESA-N 1 0 282.315 2.811 20 5 CFBDRO CO[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872071937 641603607 /nfs/dbraw/zinc/60/36/07/641603607.db2.gz AGZTWQWONOPVJZ-TVQRCGJNSA-N 1 0 282.315 2.810 20 5 CFBDRO C[C@@H]([NH2+]CC1=CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074697 641605508 /nfs/dbraw/zinc/60/55/08/641605508.db2.gz GMTNAYVVPQYPRK-SNVBAGLBSA-N 1 0 280.299 2.731 20 5 CFBDRO C[C@H](CCCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076291 641608257 /nfs/dbraw/zinc/60/82/57/641608257.db2.gz YVDCVLDNAXHIEF-GHMZBOCLSA-N 1 0 284.331 2.793 20 5 CFBDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085471 641619216 /nfs/dbraw/zinc/61/92/16/641619216.db2.gz NURQBGILBMHWNQ-ZYHUDNBSSA-N 1 0 296.342 2.793 20 5 CFBDRO CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CO1 ZINC000872128472 641657007 /nfs/dbraw/zinc/65/70/07/641657007.db2.gz RPVGSCBHEGKOHG-SRVKXCTJSA-N 1 0 264.325 2.813 20 5 CFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781030 641935266 /nfs/dbraw/zinc/93/52/66/641935266.db2.gz PCZGTEPTKVKIGD-KBPBESRZSA-N 1 0 295.770 2.921 20 5 CFBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873052468 641996435 /nfs/dbraw/zinc/99/64/35/641996435.db2.gz YDTSTXLSGQJCKS-MEBBXXQBSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CCO)C(C)C ZINC000873062862 641999229 /nfs/dbraw/zinc/99/92/29/641999229.db2.gz CNQPRDHFXYEUMX-AWEZNQCLSA-N 1 0 280.368 2.708 20 5 CFBDRO Cc1c(C[NH2+]CC2(CCO)CCCC2)cccc1[N+](=O)[O-] ZINC000873065359 642001054 /nfs/dbraw/zinc/00/10/54/642001054.db2.gz CWLXDIZLMPBGDM-UHFFFAOYSA-N 1 0 292.379 2.936 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000873066863 642001943 /nfs/dbraw/zinc/00/19/43/642001943.db2.gz JDTJIRQGPWOHBM-GFCCVEGCSA-N 1 0 291.395 2.643 20 5 CFBDRO Cc1c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000873075303 642005884 /nfs/dbraw/zinc/00/58/84/642005884.db2.gz UWCRUKCJSKELDG-IRXDYDNUSA-N 1 0 298.342 2.651 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](C)CCO ZINC000873129128 642021213 /nfs/dbraw/zinc/02/12/13/642021213.db2.gz JDFCEMLAZOSMCN-LLVKDONJSA-N 1 0 280.368 2.710 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1=CCOCC1 ZINC000873129793 642022137 /nfs/dbraw/zinc/02/21/37/642022137.db2.gz TZGUCQHMQWZTGO-UHFFFAOYSA-N 1 0 276.336 2.648 20 5 CFBDRO Cc1c(C[NH2+]CC(O)(C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000873137725 642027708 /nfs/dbraw/zinc/02/77/08/642027708.db2.gz FPQAENWLCFOUHT-UHFFFAOYSA-N 1 0 290.363 2.544 20 5 CFBDRO O=[N+]([O-])CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000930290703 642704119 /nfs/dbraw/zinc/70/41/19/642704119.db2.gz OFSBKJKOIALIMI-UHFFFAOYSA-N 1 0 268.744 2.796 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCOC[C@H](C)C1 ZINC000876751956 642994614 /nfs/dbraw/zinc/99/46/14/642994614.db2.gz CBEWAOGDVIPFMG-LLVKDONJSA-N 1 0 278.352 2.680 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000876751415 642994746 /nfs/dbraw/zinc/99/47/46/642994746.db2.gz YPAOCOQGXIHKOK-OCCSQVGLSA-N 1 0 292.379 2.947 20 5 CFBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876889812 643053493 /nfs/dbraw/zinc/05/34/93/643053493.db2.gz RAMVKORKJKDWDX-XGNXJENSSA-N 1 0 286.335 2.846 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC34CCC(CC3)C4)C2)c1 ZINC000877124885 643164130 /nfs/dbraw/zinc/16/41/30/643164130.db2.gz SHCCRPAKPFCDBV-UHFFFAOYSA-N 1 0 290.367 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCC=CO3)nc2c1 ZINC000877460649 643281188 /nfs/dbraw/zinc/28/11/88/643281188.db2.gz VTBJHUVZWWQFFS-LLVKDONJSA-N 1 0 289.291 2.518 20 5 CFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)c1 ZINC000877648522 643430516 /nfs/dbraw/zinc/43/05/16/643430516.db2.gz PBCTUXUMKCNIAT-BFKVFCTQSA-N 1 0 290.367 2.521 20 5 CFBDRO COC(C)(C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877707851 643475136 /nfs/dbraw/zinc/47/51/36/643475136.db2.gz LRGPDSYTNXDJMQ-UHFFFAOYSA-N 1 0 293.323 2.641 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000877736873 643497658 /nfs/dbraw/zinc/49/76/58/643497658.db2.gz BKXPSTVIUOWOCS-CHWSQXEVSA-N 1 0 278.377 2.780 20 5 CFBDRO CC1(C)C[C@H](O)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877752418 643529138 /nfs/dbraw/zinc/52/91/38/643529138.db2.gz FKPPYCGXPGEJPO-VSKVDJIOSA-N 1 0 290.363 2.701 20 5 CFBDRO Cc1ccc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000878475335 643908053 /nfs/dbraw/zinc/90/80/53/643908053.db2.gz MCUXRDLGKKBLRP-VXGBXAGGSA-N 1 0 278.352 2.637 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000878643412 643970527 /nfs/dbraw/zinc/97/05/27/643970527.db2.gz HWLQLGAHDSNQEL-TXEJJXNPSA-N 1 0 278.352 2.845 20 5 CFBDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000878916473 644073871 /nfs/dbraw/zinc/07/38/71/644073871.db2.gz MASFTXXLWUADII-DZGCQCFKSA-N 1 0 292.379 2.886 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCSC(F)(F)F)cc1 ZINC000127547908 644160858 /nfs/dbraw/zinc/16/08/58/644160858.db2.gz QXRLWWCFBDZGLN-UHFFFAOYSA-N 1 0 294.298 2.980 20 5 CFBDRO C=C/C=C\CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000879271976 644202709 /nfs/dbraw/zinc/20/27/09/644202709.db2.gz JSKJYNGORMFHSU-XVWMLYKFSA-N 1 0 276.336 2.524 20 5 CFBDRO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000879324715 644231683 /nfs/dbraw/zinc/23/16/83/644231683.db2.gz FGLIZNPVKCYBRU-GXTWGEPZSA-N 1 0 278.352 2.903 20 5 CFBDRO COCC1([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000880184509 644568099 /nfs/dbraw/zinc/56/80/99/644568099.db2.gz JBYNNAIGXJWYIG-UHFFFAOYSA-N 1 0 282.315 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC000880225798 644588459 /nfs/dbraw/zinc/58/84/59/644588459.db2.gz XHQZECZUKXPOGX-CALCHBBNSA-N 1 0 298.342 2.735 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000880225863 644589519 /nfs/dbraw/zinc/58/95/19/644589519.db2.gz ZKXCEBDMUNZCQV-CALCHBBNSA-N 1 0 298.342 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(F)CC2)cc1 ZINC000880241459 644604328 /nfs/dbraw/zinc/60/43/28/644604328.db2.gz DPFNKPDOIONEJR-UHFFFAOYSA-N 1 0 252.289 2.571 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCOCC1 ZINC000094774854 650962931 /nfs/dbraw/zinc/96/29/31/650962931.db2.gz KFBZQYJITWIGMW-UHFFFAOYSA-N 1 0 282.315 2.592 20 5 CFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000252213635 651000508 /nfs/dbraw/zinc/00/05/08/651000508.db2.gz XAZHCHIQDJYTEW-TYNCELHUSA-N 1 0 278.352 2.891 20 5 CFBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000304069679 651014047 /nfs/dbraw/zinc/01/40/47/651014047.db2.gz VBWFRMOJZITKFE-CYBMUJFWSA-N 1 0 286.759 2.745 20 5 CFBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000882961161 645531926 /nfs/dbraw/zinc/53/19/26/645531926.db2.gz HGZXQDWKJBKKRW-CYBMUJFWSA-N 1 0 286.335 2.649 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccns1 ZINC000883246240 645693955 /nfs/dbraw/zinc/69/39/55/645693955.db2.gz DTSCBNVGPNRNFL-CYBMUJFWSA-N 1 0 289.360 2.871 20 5 CFBDRO CCN1CC[C@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000883355708 645760845 /nfs/dbraw/zinc/76/08/45/645760845.db2.gz WPDFZYGOUYFAJD-HIFRSBDPSA-N 1 0 291.395 2.600 20 5 CFBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000800152984 646158835 /nfs/dbraw/zinc/15/88/35/646158835.db2.gz NVZJTNMFLUNABA-UHFFFAOYSA-N 1 0 294.351 2.792 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCCC2)c1 ZINC000800175378 646170802 /nfs/dbraw/zinc/17/08/02/646170802.db2.gz MNLIKVDZGPVMNY-UHFFFAOYSA-N 1 0 292.335 2.546 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)cc1F ZINC000134494416 646352847 /nfs/dbraw/zinc/35/28/47/646352847.db2.gz FHTNILSCHCZHSK-UHFFFAOYSA-N 1 0 268.288 2.502 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000886038569 646834899 /nfs/dbraw/zinc/83/48/99/646834899.db2.gz YSHKZJSHYXQWHN-OAHLLOKOSA-N 1 0 283.331 2.807 20 5 CFBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886140565 646891992 /nfs/dbraw/zinc/89/19/92/646891992.db2.gz KHJQTLRNQFKJMU-NTZNESFSSA-N 1 0 263.341 2.904 20 5 CFBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886171590 646906657 /nfs/dbraw/zinc/90/66/57/646906657.db2.gz JZBYHUVXGQFGQH-QWHCGFSZSA-N 1 0 293.367 2.673 20 5 CFBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886200460 646916989 /nfs/dbraw/zinc/91/69/89/646916989.db2.gz MRCXQPSXZBKEJO-NEPJUHHUSA-N 1 0 281.381 2.754 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000886215247 646924887 /nfs/dbraw/zinc/92/48/87/646924887.db2.gz GSYNTRMDIMQNDI-GCZXYKMCSA-N 1 0 261.325 2.658 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000886249642 646937196 /nfs/dbraw/zinc/93/71/96/646937196.db2.gz PKDZASZKYZSZFY-GFCCVEGCSA-N 1 0 261.325 2.612 20 5 CFBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886275837 646946717 /nfs/dbraw/zinc/94/67/17/646946717.db2.gz NULDALHLBFNLNN-SNVBAGLBSA-N 1 0 251.330 2.904 20 5 CFBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000886542449 647038381 /nfs/dbraw/zinc/03/83/81/647038381.db2.gz AEJMQAMYGXANDO-OAHLLOKOSA-N 1 0 288.351 2.815 20 5 CFBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000930184245 647065824 /nfs/dbraw/zinc/06/58/24/647065824.db2.gz YKBTVJTUWQLRBE-MRVPVSSYSA-N 1 0 262.231 2.633 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886836140 647157597 /nfs/dbraw/zinc/15/75/97/647157597.db2.gz VWOJQNNHNPNDQI-XHDPSFHLSA-N 1 0 294.326 2.735 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886865519 647163790 /nfs/dbraw/zinc/16/37/90/647163790.db2.gz MVSPFKPICIPLEB-MRXNPFEDSA-N 1 0 289.379 2.560 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000887730211 647401893 /nfs/dbraw/zinc/40/18/93/647401893.db2.gz JKXJUNMKKBWPBT-RYUDHWBXSA-N 1 0 291.351 2.572 20 5 CFBDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925465873 648176121 /nfs/dbraw/zinc/17/61/21/648176121.db2.gz JIIBRWGELBFEAP-HEHGZKQESA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H]1OC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000925465874 648176303 /nfs/dbraw/zinc/17/63/03/648176303.db2.gz JIIBRWGELBFEAP-WWGRRREGSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H]1[NH2+]CCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630111 648249914 /nfs/dbraw/zinc/24/99/14/648249914.db2.gz QYEAFGTWERAORU-GXFFZTMASA-N 1 0 297.786 2.521 20 5 CFBDRO C[C@H]1[NH2+]CCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000925630113 648249993 /nfs/dbraw/zinc/24/99/93/648249993.db2.gz QYEAFGTWERAORU-ZWNOBZJWSA-N 1 0 297.786 2.521 20 5 CFBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000927028815 648687891 /nfs/dbraw/zinc/68/78/91/648687891.db2.gz RGMFYTAPRWAXQF-FZMZJTMJSA-N 1 0 266.341 2.797 20 5 CFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC000927144579 648727506 /nfs/dbraw/zinc/72/75/06/648727506.db2.gz LFEWBTYSVKFFAZ-DCAQKATOSA-N 1 0 296.392 2.738 20 5 CFBDRO COC/C(C)=C\C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930439488 649247865 /nfs/dbraw/zinc/24/78/65/649247865.db2.gz IMJOJUDYNIYJTC-JYRVWZFOSA-N 1 0 278.352 2.662 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931042439 649369824 /nfs/dbraw/zinc/36/98/24/649369824.db2.gz LSWUTHFWPAVKOT-WOSRLPQWSA-N 1 0 291.395 2.989 20 5 CFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000931043930 649370744 /nfs/dbraw/zinc/37/07/44/649370744.db2.gz RRTHTBYWTHPHRO-QMTHXVAHSA-N 1 0 297.786 2.773 20 5 CFBDRO COc1ccccc1[C@@H]1CCC[N@H+](CC[N+](=O)[O-])CC1 ZINC000931565742 649455635 /nfs/dbraw/zinc/45/56/35/649455635.db2.gz WUBUHXKCXYZCSZ-CYBMUJFWSA-N 1 0 278.352 2.541 20 5 CFBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931924764 649512311 /nfs/dbraw/zinc/51/23/11/649512311.db2.gz XYFOZPMAFATNFX-WBVHZDCISA-N 1 0 295.342 2.763 20 5 CFBDRO CCOC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932647889 649634027 /nfs/dbraw/zinc/63/40/27/649634027.db2.gz AFDDUBMDJMELHR-AAEUAGOBSA-N 1 0 292.335 2.541 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933378213 649689896 /nfs/dbraw/zinc/68/98/96/649689896.db2.gz SXZGMKWPBPPFBQ-AWEZNQCLSA-N 1 0 294.326 2.925 20 5 CFBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000934233249 649765087 /nfs/dbraw/zinc/76/50/87/649765087.db2.gz IMIGLZOHMUVFQQ-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO Cc1cc(C)[nH+]c(Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001209932858 770165869 /nfs/dbraw/zinc/16/58/69/770165869.db2.gz UZSMOJRAUWOXGP-UHFFFAOYSA-N 1 0 258.281 2.932 20 5 CFBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891448054 770613463 /nfs/dbraw/zinc/61/34/63/770613463.db2.gz XWDBAOBMOVJHDC-SNVBAGLBSA-N 1 0 280.324 2.541 20 5 CFBDRO COc1cccc([C@H](C)OCCC[N+](C)(C)C)c1 ZINC001224623089 775229534 /nfs/dbraw/zinc/22/95/34/775229534.db2.gz KZZBPKVCKZRNGN-ZDUSSCGKSA-N 1 0 252.378 2.869 20 5 CFBDRO C[C@@H](COCCC[N+](C)(C)C)OCc1ccccc1 ZINC001224624590 775231477 /nfs/dbraw/zinc/23/14/77/775231477.db2.gz XZDMCSWPJTZLEW-HNNXBMFYSA-N 1 0 266.405 2.705 20 5 CFBDRO C[N+](C)(C)CCO[C@@H]1CCCc2c(Cl)ccnc21 ZINC001224773634 775269995 /nfs/dbraw/zinc/26/99/95/775269995.db2.gz LMUUGTGEXMKPLR-CYBMUJFWSA-N 1 0 269.796 2.835 20 5 CFBDRO C[N+](C)(C)CCO[C@H]1CC[C@H](OCc2ccccc2)C1 ZINC001224773977 775270351 /nfs/dbraw/zinc/27/03/51/775270351.db2.gz OOHYDTAJEIFXEF-IRXDYDNUSA-N 1 0 278.416 2.847 20 5 CFBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)c1ccccn1 ZINC001224776256 775271227 /nfs/dbraw/zinc/27/12/27/775271227.db2.gz TZNXYOYJZDYKNH-QGZVFWFLSA-N 1 0 271.384 2.894 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Br)c1 ZINC001225226251 775370390 /nfs/dbraw/zinc/37/03/90/775370390.db2.gz AKJVWFDCEULKST-JTQLQIEISA-N 1 0 273.194 2.923 20 5 CFBDRO CCN(CC)C(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001225320488 775409091 /nfs/dbraw/zinc/40/90/91/775409091.db2.gz ZXDOQSJMUXMNSP-CQSZACIVSA-N 1 0 293.431 2.642 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225386018 775437843 /nfs/dbraw/zinc/43/78/43/775437843.db2.gz WFLDFJSYDLFEOS-HBYGRHMLSA-N 1 0 294.326 2.843 20 5 CFBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225386021 775438805 /nfs/dbraw/zinc/43/88/05/775438805.db2.gz WFLDFJSYDLFEOS-QHBPRCKVSA-N 1 0 294.326 2.843 20 5 CFBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000694336396 775446708 /nfs/dbraw/zinc/44/67/08/775446708.db2.gz WFVQVJNWPXXCJR-NEPJUHHUSA-N 1 0 270.716 2.515 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001218028290 775453719 /nfs/dbraw/zinc/45/37/19/775453719.db2.gz FBRUQHMSAZKRON-BONVTDFDSA-N 1 0 278.352 2.979 20 5 CFBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC001218028289 775453938 /nfs/dbraw/zinc/45/39/38/775453938.db2.gz FBRUQHMSAZKRON-BMIGLBTASA-N 1 0 278.352 2.979 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(OC)c1 ZINC001225436229 775456232 /nfs/dbraw/zinc/45/62/32/775456232.db2.gz PSMSWWUWIOXIAJ-NSHDSACASA-N 1 0 282.340 2.713 20 5 CFBDRO COc1cc(OC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001225436147 775456242 /nfs/dbraw/zinc/45/62/42/775456242.db2.gz ONLXEEGGRJXLGX-UHFFFAOYSA-N 1 0 294.351 2.855 20 5 CFBDRO Cc1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001225632736 775533759 /nfs/dbraw/zinc/53/37/59/775533759.db2.gz NYHZBKNPSPVVLN-ITGUQSILSA-N 1 0 276.336 2.907 20 5 CFBDRO CC[N@@H+]1CCC[C@H](Oc2cccc(C)c2[N+](=O)[O-])C1 ZINC001225636309 775534539 /nfs/dbraw/zinc/53/45/39/775534539.db2.gz WBNNSWIYFMZCLU-LBPRGKRZSA-N 1 0 264.325 2.766 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001225681850 775557552 /nfs/dbraw/zinc/55/75/52/775557552.db2.gz FKCLWSVANVOTJM-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO CC[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2C)CC1 ZINC001225689372 775560091 /nfs/dbraw/zinc/56/00/91/775560091.db2.gz GJFDUQFNBDVKGZ-UHFFFAOYSA-N 1 0 264.325 2.766 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225788787 775593511 /nfs/dbraw/zinc/59/35/11/775593511.db2.gz OJKOREPXSCBNDN-VIFPVBQESA-N 1 0 273.740 2.722 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793751 775595149 /nfs/dbraw/zinc/59/51/49/775595149.db2.gz DUQGLNZIUVDNRA-JTQLQIEISA-N 1 0 268.288 2.595 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc([N+](=O)[O-])c1F)C2 ZINC001225793872 775596310 /nfs/dbraw/zinc/59/63/10/775596310.db2.gz GJFDRJGHQHVYQW-JGPRNRPPSA-N 1 0 280.299 2.738 20 5 CFBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218380787 775600090 /nfs/dbraw/zinc/60/00/90/775600090.db2.gz BCDGLRRIOGNMOL-RRAGMBSWSA-N 1 0 277.107 2.641 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225940859 775642517 /nfs/dbraw/zinc/64/25/17/775642517.db2.gz AUQKCSSYGAXGDY-NSHDSACASA-N 1 0 268.288 2.595 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225957029 775647663 /nfs/dbraw/zinc/64/76/63/775647663.db2.gz UKMACACWLKEZGH-MRVPVSSYSA-N 1 0 292.257 2.943 20 5 CFBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)c(F)ccc1[N+](=O)[O-])C2 ZINC001225959411 775648753 /nfs/dbraw/zinc/64/87/53/775648753.db2.gz LFAMSBMBRXMADE-MYJAWHEDSA-N 1 0 298.289 2.877 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218484116 775683429 /nfs/dbraw/zinc/68/34/29/775683429.db2.gz OVDDEUPTEUVWRS-SKDRFNHKSA-N 1 0 264.325 2.588 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(-c2csc(N)n2)c1 ZINC001226109275 775701904 /nfs/dbraw/zinc/70/19/04/775701904.db2.gz DMGTUJZJSBBNBZ-LLVKDONJSA-N 1 0 292.428 2.866 20 5 CFBDRO CC(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001226265483 775761993 /nfs/dbraw/zinc/76/19/93/775761993.db2.gz IGBKRKQEDKQCDG-UHFFFAOYSA-N 1 0 282.315 2.986 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226266825 775763270 /nfs/dbraw/zinc/76/32/70/775763270.db2.gz ZCBXPRWRLLXFAD-NSHDSACASA-N 1 0 268.288 2.595 20 5 CFBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001226266802 775764016 /nfs/dbraw/zinc/76/40/16/775764016.db2.gz YBDCQRGPHKROGN-UHFFFAOYSA-N 1 0 268.288 2.597 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(OC)ccc1[N+](=O)[O-] ZINC001226443359 775824565 /nfs/dbraw/zinc/82/45/65/775824565.db2.gz SOEFPZNXTHYANX-LLVKDONJSA-N 1 0 282.340 2.713 20 5 CFBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001226710003 775932311 /nfs/dbraw/zinc/93/23/11/775932311.db2.gz HULIBXZQHDGKMG-HNNXBMFYSA-N 1 0 299.330 2.643 20 5 CFBDRO C[NH+]1CCC(Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001226908388 776013421 /nfs/dbraw/zinc/01/34/21/776013421.db2.gz GJACHWLAAJPDPJ-UHFFFAOYSA-N 1 0 288.706 2.860 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226908731 776013663 /nfs/dbraw/zinc/01/36/63/776013663.db2.gz NDUJMVLYTHBFNU-SSDOTTSWSA-N 1 0 276.695 2.716 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915163 776016398 /nfs/dbraw/zinc/01/63/98/776016398.db2.gz FEGUDHCAGHTWEH-SNVBAGLBSA-N 1 0 299.758 2.895 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cnc1Br ZINC001226999252 776056411 /nfs/dbraw/zinc/05/64/11/776056411.db2.gz KUTVJIHYACMDAY-SNVBAGLBSA-N 1 0 288.209 2.626 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+](C)C)CC2)n1 ZINC001227062810 776079720 /nfs/dbraw/zinc/07/97/20/776079720.db2.gz UNRCHFQIAPDKQC-HAQNSBGRSA-N 1 0 279.340 2.550 20 5 CFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001167754374 776087284 /nfs/dbraw/zinc/08/72/84/776087284.db2.gz XCTNVQOUYDCKMU-LLVKDONJSA-N 1 0 296.346 2.805 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001227158792 776120411 /nfs/dbraw/zinc/12/04/11/776120411.db2.gz YFDGHVDCWYZCBC-MRVPVSSYSA-N 1 0 291.730 2.861 20 5 CFBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227523567 776218959 /nfs/dbraw/zinc/21/89/59/776218959.db2.gz MORSNOPHYSIWGF-AWEZNQCLSA-N 1 0 264.325 2.846 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001227696657 776261494 /nfs/dbraw/zinc/26/14/94/776261494.db2.gz MKGZDDSGWLSANA-ZSBIGDGJSA-N 1 0 292.335 2.607 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1OC1CC[NH+](C2CC2)CC1 ZINC001227701988 776262801 /nfs/dbraw/zinc/26/28/01/776262801.db2.gz RKZHJRFGDMIWDL-UHFFFAOYSA-N 1 0 292.335 2.609 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228013960 776362760 /nfs/dbraw/zinc/36/27/60/776362760.db2.gz BFPOFCVHUOYUKJ-SECBINFHSA-N 1 0 287.747 2.752 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015679 776364743 /nfs/dbraw/zinc/36/47/43/776364743.db2.gz HKRZVOXEKQZRIH-JTQLQIEISA-N 1 0 286.278 2.735 20 5 CFBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)n1 ZINC001228064112 776382638 /nfs/dbraw/zinc/38/26/38/776382638.db2.gz BBWWKPKGNKECOF-JTQLQIEISA-N 1 0 288.209 2.626 20 5 CFBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228135280 776405401 /nfs/dbraw/zinc/40/54/01/776405401.db2.gz DEQKDRLSUPVTJM-NSHDSACASA-N 1 0 287.319 2.616 20 5 CFBDRO CCOCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228169084 776415107 /nfs/dbraw/zinc/41/51/07/776415107.db2.gz BZBMMXFPWYFNTK-ZDUSSCGKSA-N 1 0 282.404 2.705 20 5 CFBDRO C[C@@H](C[NH+](C)C)Oc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001228929856 776660485 /nfs/dbraw/zinc/66/04/85/776660485.db2.gz HEAIFWOPVBQCDD-QMMMGPOBSA-N 1 0 292.257 2.943 20 5 CFBDRO c1cnc2c(c1)ccc1ccc(CN3CCC[NH2+]CC3)nc12 ZINC001204675299 776698734 /nfs/dbraw/zinc/69/87/34/776698734.db2.gz LXQPVBYPALVLOI-UHFFFAOYSA-N 1 0 292.386 2.578 20 5 CFBDRO CC[N@@H+]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)C1 ZINC001229466148 776820573 /nfs/dbraw/zinc/82/05/73/776820573.db2.gz JTCWQNLTPPITJN-LBPRGKRZSA-N 1 0 264.325 2.685 20 5 CFBDRO CCCC[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126160830 776875431 /nfs/dbraw/zinc/87/54/31/776875431.db2.gz MYLVDSDPCKCBJX-UHFFFAOYSA-N 1 0 289.339 2.543 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1O ZINC001229751541 776887281 /nfs/dbraw/zinc/88/72/81/776887281.db2.gz VSWGIFRLZZVWAH-LLVKDONJSA-N 1 0 282.340 2.718 20 5 CFBDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001230143277 776955140 /nfs/dbraw/zinc/95/51/40/776955140.db2.gz ITVXGHVORXZJBX-GFCCVEGCSA-N 1 0 264.325 2.766 20 5 CFBDRO COc1ccc2sc(O[C@H](C)C[N+](C)(C)C)nc2c1 ZINC001230338836 776981567 /nfs/dbraw/zinc/98/15/67/776981567.db2.gz GUGCDKUZYISLGF-SNVBAGLBSA-N 1 0 281.401 2.778 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)C(F)(F)F)cc1 ZINC001230700253 777044713 /nfs/dbraw/zinc/04/47/13/777044713.db2.gz DNJINOZSVYMQLN-JTQLQIEISA-N 1 0 290.305 2.905 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])ccc1OC ZINC001225613854 777089113 /nfs/dbraw/zinc/08/91/13/777089113.db2.gz WOLCUAXBRHPZKH-NSHDSACASA-N 1 0 282.340 2.713 20 5 CFBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[NH2+]CC1(C)C ZINC000710784397 777113527 /nfs/dbraw/zinc/11/35/27/777113527.db2.gz JREDOTMHJYWPLX-AWEZNQCLSA-N 1 0 278.352 2.979 20 5 CFBDRO O=[N+]([O-])c1cccc2cc(O[C@H]3C[NH+]4CCC3CC4)cnc21 ZINC001231156427 777159370 /nfs/dbraw/zinc/15/93/70/777159370.db2.gz KPXVREXPYWFQDX-HNNXBMFYSA-N 1 0 299.330 2.616 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225709918 777213706 /nfs/dbraw/zinc/21/37/06/777213706.db2.gz FFIJGXULBSNXKW-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO Cc1cc(C(F)(F)F)cc(O[C@H](C)C[N+](C)(C)C)n1 ZINC001226187156 777472979 /nfs/dbraw/zinc/47/29/79/777472979.db2.gz RLKBBOHDCTYQQB-SNVBAGLBSA-N 1 0 277.310 2.882 20 5 CFBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncsc2c1 ZINC001226641341 777590070 /nfs/dbraw/zinc/59/00/70/777590070.db2.gz IXCOKKULEQVOME-SNVBAGLBSA-N 1 0 251.375 2.770 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762899 777637351 /nfs/dbraw/zinc/63/73/51/777637351.db2.gz XLOLIQHPRIQKJX-SNVBAGLBSA-N 1 0 270.716 2.721 20 5 CFBDRO C[C@H](C[NH+](C)C)Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000713928406 777879177 /nfs/dbraw/zinc/87/91/77/777879177.db2.gz WMOMJPRLQPMTDK-SSDOTTSWSA-N 1 0 276.695 2.716 20 5 CFBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)nc(C(F)(F)F)c1 ZINC001233559907 777991784 /nfs/dbraw/zinc/99/17/84/777991784.db2.gz RXRJLPNWJMLIJN-SNVBAGLBSA-N 1 0 277.310 2.882 20 5 CFBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233835862 778090769 /nfs/dbraw/zinc/09/07/69/778090769.db2.gz FEBCJXRIKRXURT-GFCCVEGCSA-N 1 0 287.319 2.616 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233836107 778092375 /nfs/dbraw/zinc/09/23/75/778092375.db2.gz IBEYMJWVRYZLKS-GFCCVEGCSA-N 1 0 287.319 2.616 20 5 CFBDRO Cc1ccc2nc(C)nc(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001234003614 778136792 /nfs/dbraw/zinc/13/67/92/778136792.db2.gz ZNULALKAPYYYGA-GFCCVEGCSA-N 1 0 274.388 2.720 20 5 CFBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)nc1 ZINC001234177132 778180474 /nfs/dbraw/zinc/18/04/74/778180474.db2.gz UBFWWXIYOSQWNC-LBPRGKRZSA-N 1 0 251.394 2.853 20 5 CFBDRO CC1(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)CC[NH2+]CC1 ZINC001168186209 778228527 /nfs/dbraw/zinc/22/85/27/778228527.db2.gz UQSYHUHACGOKLB-UHFFFAOYSA-N 1 0 274.324 2.630 20 5 CFBDRO COc1cccc2nc(O[C@@H](C)C[N+](C)(C)C)ccc21 ZINC001234576948 778256178 /nfs/dbraw/zinc/25/61/78/778256178.db2.gz OEQRJSCGJSWLHL-LBPRGKRZSA-N 1 0 275.372 2.717 20 5 CFBDRO CCc1cc(OC)c(O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001234648827 778275788 /nfs/dbraw/zinc/27/57/88/778275788.db2.gz KOCVFVZDJGJMMK-NSHDSACASA-N 1 0 270.368 2.870 20 5 CFBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234870256 778317465 /nfs/dbraw/zinc/31/74/65/778317465.db2.gz HFFKPLFDYHTNMX-CYBMUJFWSA-N 1 0 278.352 2.993 20 5 CFBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234872627 778318028 /nfs/dbraw/zinc/31/80/28/778318028.db2.gz YSDGIPFYDRHFFF-ZDUSSCGKSA-N 1 0 278.352 2.993 20 5 CFBDRO CCOc1nccc(O[C@@H](C)C[N+](C)(C)C)c1Cl ZINC001234952068 778339229 /nfs/dbraw/zinc/33/92/29/778339229.db2.gz LKCNYNNLXQDZID-JTQLQIEISA-N 1 0 273.784 2.607 20 5 CFBDRO Cc1cnc(F)c([C@H](C)OCCC[N+](C)(C)C)c1 ZINC001224621487 778603043 /nfs/dbraw/zinc/60/30/43/778603043.db2.gz VLFDBZPPSWKUMJ-LBPRGKRZSA-N 1 0 255.357 2.703 20 5 CFBDRO Cc1c(CNCC2([NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000160906743 778618450 /nfs/dbraw/zinc/61/84/50/778618450.db2.gz XGGFXJBTMAILFJ-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO C[C@H](OC[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224817309 778705883 /nfs/dbraw/zinc/70/58/83/778705883.db2.gz MJNRWJHWAXXKRF-RYUDHWBXSA-N 1 0 264.325 2.767 20 5 CFBDRO CCOc1cc(O[C@H](C)C[N+](C)(C)C)c(Cl)cn1 ZINC001234930228 779285989 /nfs/dbraw/zinc/28/59/89/779285989.db2.gz IXIMQLNUSSOUKX-SNVBAGLBSA-N 1 0 273.784 2.607 20 5 CFBDRO Cc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccn1 ZINC001127645101 779643414 /nfs/dbraw/zinc/64/34/14/779643414.db2.gz WVXLKRPTZLRCDB-UHFFFAOYSA-N 1 0 285.303 2.589 20 5 CFBDRO CCC1(Nc2cc3ccccc3c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168587040 780010196 /nfs/dbraw/zinc/01/01/96/780010196.db2.gz PUSUYCWFGXWJAK-UHFFFAOYSA-N 1 0 271.320 2.912 20 5 CFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)ccc1Cl ZINC000700636530 780711180 /nfs/dbraw/zinc/71/11/80/780711180.db2.gz WRCBAMHLMFVOPG-NWDGAFQWSA-N 1 0 296.754 2.717 20 5 CFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000701051560 780753026 /nfs/dbraw/zinc/75/30/26/780753026.db2.gz ZTQXDKCPROEPEI-PUXPGTEJSA-N 1 0 282.315 2.635 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922892401 780775076 /nfs/dbraw/zinc/77/50/76/780775076.db2.gz OSAZZYFRVIQXCY-GOEBONIOSA-N 1 0 290.363 2.890 20 5 CFBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000702006577 780866987 /nfs/dbraw/zinc/86/69/87/780866987.db2.gz TXSNYKHIELJHJU-YPMHNXCESA-N 1 0 266.366 2.887 20 5 CFBDRO CC1(C)C[C@]1(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000702377512 780918998 /nfs/dbraw/zinc/91/89/98/780918998.db2.gz MQWWIDFHROISRU-DZGCQCFKSA-N 1 0 278.352 2.654 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2SCCS2)c(F)c1 ZINC000703064872 780985546 /nfs/dbraw/zinc/98/55/46/780985546.db2.gz TWIQORXHNCNPPM-UHFFFAOYSA-N 1 0 288.369 2.630 20 5 CFBDRO COC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000711883973 781485554 /nfs/dbraw/zinc/48/55/54/781485554.db2.gz LLAXDPDBXZERGD-UHFFFAOYSA-N 1 0 270.304 2.639 20 5 CFBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H](C)C[N+](C)(C)C ZINC001231059909 781898164 /nfs/dbraw/zinc/89/81/64/781898164.db2.gz LQYMAFXMJGMXRJ-LBPRGKRZSA-N 1 0 267.349 2.685 20 5 CFBDRO COc1ccc(C[NH2+]C2(C)CC=CC2)cc1[N+](=O)[O-] ZINC000594513005 349436403 /nfs/dbraw/zinc/43/64/03/349436403.db2.gz ZJHRNHILOYENNY-UHFFFAOYSA-N 1 0 262.309 2.802 20 5 CFBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594518180 349439868 /nfs/dbraw/zinc/43/98/68/349439868.db2.gz MXDRHBCTVDSPGY-NSHDSACASA-N 1 0 289.310 2.850 20 5 CFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594599423 349456818 /nfs/dbraw/zinc/45/68/18/349456818.db2.gz JSAGKPDFFGSYOA-KGLIPLIRSA-N 1 0 290.367 2.727 20 5 CFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594601969 349457768 /nfs/dbraw/zinc/45/77/68/349457768.db2.gz QDGDVNLDOMRGPO-OLZOCXBDSA-N 1 0 294.330 2.558 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000127743476 187330419 /nfs/dbraw/zinc/33/04/19/187330419.db2.gz WDYWZBYQKHVAPF-LBPRGKRZSA-N 1 0 276.336 2.901 20 5 CFBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000594941949 349520943 /nfs/dbraw/zinc/52/09/43/349520943.db2.gz DDGFFNZSBSLUFX-CHWSQXEVSA-N 1 0 298.770 2.948 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000594959220 349529014 /nfs/dbraw/zinc/52/90/14/349529014.db2.gz AXNDANYOFZIBHF-GFCCVEGCSA-N 1 0 264.325 2.560 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCO[C@H]1CC1(F)F ZINC000594971111 349536025 /nfs/dbraw/zinc/53/60/25/349536025.db2.gz UWQWOGKAWLPYKZ-DXTPNHAXSA-N 1 0 298.289 2.622 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000594985173 349539310 /nfs/dbraw/zinc/53/93/10/349539310.db2.gz TYUPYBIIYXHJBX-PJXYFTJBSA-N 1 0 250.273 2.622 20 5 CFBDRO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083127050 178339663 /nfs/dbraw/zinc/33/96/63/178339663.db2.gz QHDFQLXNRFFMSW-SNVBAGLBSA-N 1 0 275.308 2.968 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000595011206 349548583 /nfs/dbraw/zinc/54/85/83/349548583.db2.gz BPIZHCPZNAKWBC-VXGBXAGGSA-N 1 0 295.383 2.594 20 5 CFBDRO C[C@@H](CSCCF)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000595012080 349549580 /nfs/dbraw/zinc/54/95/80/349549580.db2.gz BDOMRFIKRUAXKG-JTQLQIEISA-N 1 0 272.345 2.776 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595017856 349550843 /nfs/dbraw/zinc/55/08/43/349550843.db2.gz MEEMXKWFHDALQB-COPLHBTASA-N 1 0 296.367 2.661 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000595020071 349552199 /nfs/dbraw/zinc/55/21/99/349552199.db2.gz SXBZKODHFPHZSW-IAQYHMDHSA-N 1 0 294.351 2.681 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000595024477 349554268 /nfs/dbraw/zinc/55/42/68/349554268.db2.gz GHEOPQCHXGOIQB-SRVKXCTJSA-N 1 0 294.351 2.679 20 5 CFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595024988 349554712 /nfs/dbraw/zinc/55/47/12/349554712.db2.gz IXHPSKCLRWSDGE-SMDDNHRTSA-N 1 0 296.367 2.925 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595024987 349554909 /nfs/dbraw/zinc/55/49/09/349554909.db2.gz IXHPSKCLRWSDGE-RISCZKNCSA-N 1 0 296.367 2.925 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000595034513 349558575 /nfs/dbraw/zinc/55/85/75/349558575.db2.gz WMRZKIJLNSMRFF-NEPJUHHUSA-N 1 0 294.351 2.681 20 5 CFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000594996946 349543209 /nfs/dbraw/zinc/54/32/09/349543209.db2.gz VZPCESMOKRCYFZ-HWPRWLFBSA-N 1 0 286.335 2.692 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1=CCCOC1 ZINC000595049355 349563675 /nfs/dbraw/zinc/56/36/75/349563675.db2.gz IEHKGIYXXMVXBG-NSHDSACASA-N 1 0 292.335 2.601 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000595052203 349565494 /nfs/dbraw/zinc/56/54/94/349565494.db2.gz RDKVLEBKJDWXSH-RYUDHWBXSA-N 1 0 296.367 2.519 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](C)OC ZINC000595038847 349560007 /nfs/dbraw/zinc/56/00/07/349560007.db2.gz NTJDBJJVHLDHMV-QWRGUYRKSA-N 1 0 282.340 2.679 20 5 CFBDRO Cc1c(C[NH2+][C@H]2CCCn3nccc32)cccc1[N+](=O)[O-] ZINC000595041832 349560999 /nfs/dbraw/zinc/56/09/99/349560999.db2.gz SKSWAPDZCNSSDQ-ZDUSSCGKSA-N 1 0 286.335 2.724 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000595041376 349561257 /nfs/dbraw/zinc/56/12/57/349561257.db2.gz KPIWHAHQDXCFLW-ZLKJLUDKSA-N 1 0 294.351 2.822 20 5 CFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595316890 349599850 /nfs/dbraw/zinc/59/98/50/349599850.db2.gz AORMVFRPXQPCCU-LLVKDONJSA-N 1 0 282.315 2.592 20 5 CFBDRO CCCCC[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595313006 349600557 /nfs/dbraw/zinc/60/05/57/349600557.db2.gz OVBZJQPVZIGEEY-UHFFFAOYSA-N 1 0 284.331 2.718 20 5 CFBDRO Cc1noc(C[N@@H+](C)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC000595287104 349591288 /nfs/dbraw/zinc/59/12/88/349591288.db2.gz LGQNWIGLQHLJII-UHFFFAOYSA-N 1 0 267.329 2.902 20 5 CFBDRO Cc1noc(C[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595291295 349591916 /nfs/dbraw/zinc/59/19/16/349591916.db2.gz JFFHVVZZDBPGTI-UHFFFAOYSA-N 1 0 253.302 2.656 20 5 CFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333342 349604503 /nfs/dbraw/zinc/60/45/03/349604503.db2.gz SDHLGGRPJWXGCO-WPRPVWTQSA-N 1 0 253.302 2.512 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@H](C)CC2)c1[N+](=O)[O-] ZINC000595297354 349594913 /nfs/dbraw/zinc/59/49/13/349594913.db2.gz RQPKIHUCBGIGAM-VIFPVBQESA-N 1 0 253.302 2.513 20 5 CFBDRO Cc1noc(C[N@@H+](C)C(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000595297716 349595854 /nfs/dbraw/zinc/59/58/54/349595854.db2.gz JOJRRRYGGKRPOA-UHFFFAOYSA-N 1 0 265.313 2.512 20 5 CFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000595394999 349616337 /nfs/dbraw/zinc/61/63/37/349616337.db2.gz TWICVIRYWWFGHN-UHFFFAOYSA-N 1 0 296.342 2.717 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000595401749 349617038 /nfs/dbraw/zinc/61/70/38/349617038.db2.gz PAKSYZKNXAQWNO-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595403789 349617146 /nfs/dbraw/zinc/61/71/46/349617146.db2.gz IJEUAHROGLFCOF-NEPJUHHUSA-N 1 0 295.358 2.648 20 5 CFBDRO COCC1(C)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595422926 349620712 /nfs/dbraw/zinc/62/07/12/349620712.db2.gz QZUVWUUZBCBWOC-UHFFFAOYSA-N 1 0 296.342 2.982 20 5 CFBDRO Cc1noc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595427165 349622510 /nfs/dbraw/zinc/62/25/10/349622510.db2.gz ROPWWIGYHURDKF-VIFPVBQESA-N 1 0 267.329 2.759 20 5 CFBDRO C[NH+](C)C1(CNc2ccsc2[N+](=O)[O-])CCCC1 ZINC000068664704 346863248 /nfs/dbraw/zinc/86/32/48/346863248.db2.gz PEHLBBNAHDPVSS-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595441950 349627979 /nfs/dbraw/zinc/62/79/79/349627979.db2.gz OBRGGMRFKWJPGG-LBPRGKRZSA-N 1 0 296.342 2.982 20 5 CFBDRO Cc1noc(C[N@H+]2CCC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595452138 349630594 /nfs/dbraw/zinc/63/05/94/349630594.db2.gz YJDMYXISUPGIAT-LLVKDONJSA-N 1 0 267.329 2.759 20 5 CFBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595454361 349631683 /nfs/dbraw/zinc/63/16/83/349631683.db2.gz KHKUYCQTBOFJLO-NXEZZACHSA-N 1 0 253.302 2.560 20 5 CFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595473605 349637753 /nfs/dbraw/zinc/63/77/53/349637753.db2.gz YBUCQVJKRRFFGY-JSGCOSHPSA-N 1 0 282.315 2.781 20 5 CFBDRO Cc1noc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595513391 349648652 /nfs/dbraw/zinc/64/86/52/349648652.db2.gz UYNILSIHXVSEAR-RYUDHWBXSA-N 1 0 297.355 2.573 20 5 CFBDRO Cc1noc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595561988 349660616 /nfs/dbraw/zinc/66/06/16/349660616.db2.gz HLZKHEGPNPVXCC-QWRGUYRKSA-N 1 0 265.313 2.656 20 5 CFBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000595553024 349657383 /nfs/dbraw/zinc/65/73/83/349657383.db2.gz UFWHHKVUKOTKJS-VHSXEESVSA-N 1 0 267.329 2.806 20 5 CFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595670151 349694980 /nfs/dbraw/zinc/69/49/80/349694980.db2.gz AGDBEWCOWWZNSY-CJNGLKHVSA-N 1 0 292.379 2.620 20 5 CFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673032 349695565 /nfs/dbraw/zinc/69/55/65/349695565.db2.gz JHYMVQQLLGQXEK-FZMZJTMJSA-N 1 0 296.342 2.717 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000126008482 187210296 /nfs/dbraw/zinc/21/02/96/187210296.db2.gz FOIWZAUNJGAJOK-AWEZNQCLSA-N 1 0 278.352 2.904 20 5 CFBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000070327452 346909688 /nfs/dbraw/zinc/90/96/88/346909688.db2.gz GYCBNVIOLFTUAD-CHWSQXEVSA-N 1 0 264.325 2.642 20 5 CFBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595704782 349711165 /nfs/dbraw/zinc/71/11/65/349711165.db2.gz VJTDFGRZERUMKZ-WFASDCNBSA-N 1 0 278.352 2.578 20 5 CFBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000070327454 346909776 /nfs/dbraw/zinc/90/97/76/346909776.db2.gz GYCBNVIOLFTUAD-OLZOCXBDSA-N 1 0 264.325 2.642 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000595831977 349745624 /nfs/dbraw/zinc/74/56/24/349745624.db2.gz GNYANANDJMITBH-UHFFFAOYSA-N 1 0 287.319 2.962 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595876263 349759774 /nfs/dbraw/zinc/75/97/74/349759774.db2.gz RHPBLEWXZYNQII-JMSVASOKSA-N 1 0 278.352 2.606 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595837641 349749083 /nfs/dbraw/zinc/74/90/83/349749083.db2.gz PVSUINQPJQYUDV-UHFFFAOYSA-N 1 0 287.319 2.962 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000595872550 349759101 /nfs/dbraw/zinc/75/91/01/349759101.db2.gz VGWRPYGLNISQQR-CQSZACIVSA-N 1 0 292.383 2.836 20 5 CFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414531304 529625977 /nfs/dbraw/zinc/62/59/77/529625977.db2.gz RSNQUYWIRVAOPW-DZGCQCFKSA-N 1 0 280.368 2.788 20 5 CFBDRO COc1cc(NCCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596050050 349781152 /nfs/dbraw/zinc/78/11/52/349781152.db2.gz AMDNVLCFGARMAL-UHFFFAOYSA-N 1 0 287.747 2.620 20 5 CFBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596079632 349788895 /nfs/dbraw/zinc/78/88/95/349788895.db2.gz UYIWSAYLTXLPHR-JTQLQIEISA-N 1 0 281.381 2.861 20 5 CFBDRO O=C(CC[NH2+]CC1=CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000596064863 349785384 /nfs/dbraw/zinc/78/53/84/349785384.db2.gz BBAQDFLKLADKAY-UHFFFAOYSA-N 1 0 289.335 2.623 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596095379 349793515 /nfs/dbraw/zinc/79/35/15/349793515.db2.gz PUDMOVCHPCRQNB-NSHDSACASA-N 1 0 270.304 2.540 20 5 CFBDRO CC(C)c1ccc(CNCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596102299 349794693 /nfs/dbraw/zinc/79/46/93/349794693.db2.gz HJBUUQHRVBVVIB-UHFFFAOYSA-N 1 0 289.379 2.560 20 5 CFBDRO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596129151 349801396 /nfs/dbraw/zinc/80/13/96/349801396.db2.gz OFXWAJXLCGGWCN-LLVKDONJSA-N 1 0 283.397 2.743 20 5 CFBDRO CC/C=C/C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000294989625 199287172 /nfs/dbraw/zinc/28/71/72/199287172.db2.gz HITPXZCHPADYHZ-AATRIKPKSA-N 1 0 280.324 2.668 20 5 CFBDRO Cc1nccnc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000294991454 199287746 /nfs/dbraw/zinc/28/77/46/199287746.db2.gz LISURZCFLNVLDB-LLVKDONJSA-N 1 0 286.335 2.587 20 5 CFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072869525 346945138 /nfs/dbraw/zinc/94/51/38/346945138.db2.gz KOKJWHUSPCHPNG-TUAOUCFPSA-N 1 0 291.351 2.510 20 5 CFBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295014841 199300968 /nfs/dbraw/zinc/30/09/68/199300968.db2.gz MNZDZIGJSYPDFS-AWEZNQCLSA-N 1 0 278.352 2.842 20 5 CFBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596238856 349836559 /nfs/dbraw/zinc/83/65/59/349836559.db2.gz ZKGNXVHLQDDCEF-MRVPVSSYSA-N 1 0 257.359 2.574 20 5 CFBDRO COc1cccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596309867 349860079 /nfs/dbraw/zinc/86/00/79/349860079.db2.gz YVTZSKOAJXWJKD-NSHDSACASA-N 1 0 293.367 2.888 20 5 CFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000596306565 349858069 /nfs/dbraw/zinc/85/80/69/349858069.db2.gz GFPZKDIUBKVSNP-VIFPVBQESA-N 1 0 269.370 2.941 20 5 CFBDRO Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000219298858 539364058 /nfs/dbraw/zinc/36/40/58/539364058.db2.gz KDFLBEGQSNNZFR-KGLIPLIRSA-N 1 0 275.352 2.942 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCCn2cccn2)cccc1[N+](=O)[O-] ZINC000127059124 187279118 /nfs/dbraw/zinc/27/91/18/187279118.db2.gz GALKWQAXPBCAON-CYBMUJFWSA-N 1 0 288.351 2.841 20 5 CFBDRO Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074740790 347029839 /nfs/dbraw/zinc/02/98/39/347029839.db2.gz ACPFCNYOYFOPDE-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273187672 192069741 /nfs/dbraw/zinc/06/97/41/192069741.db2.gz GINDOHHIUPQJOP-UHFFFAOYSA-N 1 0 291.351 2.574 20 5 CFBDRO C[N@@H+]1CCC[C@H](CCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000413441652 530061000 /nfs/dbraw/zinc/06/10/00/530061000.db2.gz PYOWBEIATGMBIH-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO CC(C)C[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075586614 347085774 /nfs/dbraw/zinc/08/57/74/347085774.db2.gz HWQOJTLXEBCQOI-CQSZACIVSA-N 1 0 291.395 2.929 20 5 CFBDRO CCOc1cc(C[N@H+](C)[C@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000295089338 199340555 /nfs/dbraw/zinc/34/05/55/199340555.db2.gz FDWJLYSLBSUBJN-LLVKDONJSA-N 1 0 296.367 2.585 20 5 CFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000016446287 232171867 /nfs/dbraw/zinc/17/18/67/232171867.db2.gz YYILLUDXOMWJBE-NEPJUHHUSA-N 1 0 291.351 2.654 20 5 CFBDRO CCC[N@@H+]1CC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000596515998 349927496 /nfs/dbraw/zinc/92/74/96/349927496.db2.gz BKFQTFAFAAHAJF-LBPRGKRZSA-N 1 0 278.356 2.503 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596542633 349936381 /nfs/dbraw/zinc/93/63/81/349936381.db2.gz NEXQHTMAZKYBFR-UHFFFAOYSA-N 1 0 284.335 2.661 20 5 CFBDRO CCC[N@H+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])s1 ZINC000596542180 349936600 /nfs/dbraw/zinc/93/66/00/349936600.db2.gz KAVMNHISLHHIHZ-UHFFFAOYSA-N 1 0 272.374 2.584 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097439157 185603827 /nfs/dbraw/zinc/60/38/27/185603827.db2.gz TYOQERHVFBVXDF-SMDDNHRTSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000037649785 346332805 /nfs/dbraw/zinc/33/28/05/346332805.db2.gz WZLVLZURSRHFFD-LBPRGKRZSA-N 1 0 275.352 2.799 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046055662 346418870 /nfs/dbraw/zinc/41/88/70/346418870.db2.gz LTPSZUNWOITFOD-LBPRGKRZSA-N 1 0 264.325 2.848 20 5 CFBDRO COC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051155188 346500926 /nfs/dbraw/zinc/50/09/26/346500926.db2.gz ARBVUZYNEFJDIN-UHFFFAOYSA-N 1 0 264.325 2.514 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@@H]21 ZINC000085674337 179111698 /nfs/dbraw/zinc/11/16/98/179111698.db2.gz LDJDSKSTPZBZII-ZNMIVQPWSA-N 1 0 290.363 2.888 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000053582864 346549957 /nfs/dbraw/zinc/54/99/57/346549957.db2.gz YHGRNJYSWIFMIU-UHFFFAOYSA-N 1 0 286.335 2.534 20 5 CFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000057838821 346638783 /nfs/dbraw/zinc/63/87/83/346638783.db2.gz ISOABDVKFNGEKI-NSHDSACASA-N 1 0 283.759 2.779 20 5 CFBDRO CCC(CC)[C@H](CNc1ccncc1[N+](=O)[O-])[NH+](C)C ZINC000066797775 346780083 /nfs/dbraw/zinc/78/00/83/346780083.db2.gz RNAZFUIFQTXZNJ-ZDUSSCGKSA-N 1 0 280.372 2.768 20 5 CFBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000076744721 347151155 /nfs/dbraw/zinc/15/11/55/347151155.db2.gz XIMMZWWQXUFPRE-RYUDHWBXSA-N 1 0 278.356 2.665 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000078246726 347234221 /nfs/dbraw/zinc/23/42/21/347234221.db2.gz BMRHFPGZPYBVTI-HNNXBMFYSA-N 1 0 298.346 2.676 20 5 CFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078563123 347261807 /nfs/dbraw/zinc/26/18/07/347261807.db2.gz VGIPOAQSWYWISK-GFCCVEGCSA-N 1 0 295.358 2.902 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000078576093 347262536 /nfs/dbraw/zinc/26/25/36/347262536.db2.gz AQWHFYSSWFLQMA-GFCCVEGCSA-N 1 0 281.331 2.654 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000078575659 347262615 /nfs/dbraw/zinc/26/26/15/347262615.db2.gz CZVZBSJYMRXRFR-GFCCVEGCSA-N 1 0 263.341 2.515 20 5 CFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078868186 347277039 /nfs/dbraw/zinc/27/70/39/347277039.db2.gz ZWKZKKSYWLMGBF-GFCCVEGCSA-N 1 0 293.367 2.678 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605452 347368648 /nfs/dbraw/zinc/36/86/48/347368648.db2.gz REONFIBQIWJMHQ-CYBMUJFWSA-N 1 0 292.383 2.975 20 5 CFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080605373 347368892 /nfs/dbraw/zinc/36/88/92/347368892.db2.gz CMBLDEKYPQADEU-LBPRGKRZSA-N 1 0 278.356 2.585 20 5 CFBDRO CC(C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169556 347448825 /nfs/dbraw/zinc/44/88/25/347448825.db2.gz HPZPJRQLVRRAHB-UHFFFAOYSA-N 1 0 263.297 2.824 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000088721473 347507744 /nfs/dbraw/zinc/50/77/44/347507744.db2.gz LSXJANJGEFNFDF-CYBMUJFWSA-N 1 0 275.352 2.799 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)c1 ZINC000088719638 347507790 /nfs/dbraw/zinc/50/77/90/347507790.db2.gz BJNSEBDPMZZPCH-UHFFFAOYSA-N 1 0 277.368 2.681 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000088720119 347507835 /nfs/dbraw/zinc/50/78/35/347507835.db2.gz BEXMRMDDXAZFCE-CQSZACIVSA-N 1 0 263.341 2.655 20 5 CFBDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000089513249 347520823 /nfs/dbraw/zinc/52/08/23/347520823.db2.gz GPGMBJCDEKJXEN-SNVBAGLBSA-N 1 0 286.335 2.852 20 5 CFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000090910159 347563007 /nfs/dbraw/zinc/56/30/07/347563007.db2.gz AYJJGYLGRMHZRP-HNNXBMFYSA-N 1 0 288.351 2.612 20 5 CFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000091457565 347587761 /nfs/dbraw/zinc/58/77/61/347587761.db2.gz YPZJIBYQJJNMLC-GFCCVEGCSA-N 1 0 293.367 2.747 20 5 CFBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537975 347551964 /nfs/dbraw/zinc/55/19/64/347551964.db2.gz ZEQDSXOQBCBCJT-ZIAGYGMSSA-N 1 0 280.372 2.596 20 5 CFBDRO Cc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000092652098 347636383 /nfs/dbraw/zinc/63/63/83/347636383.db2.gz ISJVZSDGGAXTCP-CQSZACIVSA-N 1 0 275.352 2.799 20 5 CFBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000092649569 347636610 /nfs/dbraw/zinc/63/66/10/347636610.db2.gz ZHXNFFYEFDCWSH-VIFPVBQESA-N 1 0 297.330 2.637 20 5 CFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000120406084 347807237 /nfs/dbraw/zinc/80/72/37/347807237.db2.gz GJBIQBCUOMQTQK-UHFFFAOYSA-N 1 0 275.352 2.659 20 5 CFBDRO CC[C@@H]([NH2+]CC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000122014075 347813834 /nfs/dbraw/zinc/81/38/34/347813834.db2.gz FMJJPCWAKACLKZ-CYBMUJFWSA-N 1 0 266.341 2.654 20 5 CFBDRO Cc1c(C[N@@H+]2CCCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000156962273 347997779 /nfs/dbraw/zinc/99/77/79/347997779.db2.gz YXCUVIKWPZSJLX-AWEZNQCLSA-N 1 0 278.352 2.640 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000157747831 348002717 /nfs/dbraw/zinc/00/27/17/348002717.db2.gz PVGNBBBTXQRWGG-MNOVXSKESA-N 1 0 291.351 2.700 20 5 CFBDRO CC1(C)CC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000160235318 348016929 /nfs/dbraw/zinc/01/69/29/348016929.db2.gz YYAXPOOXHRNBBT-AWEZNQCLSA-N 1 0 278.352 2.685 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000412019769 232820942 /nfs/dbraw/zinc/82/09/42/232820942.db2.gz IYRQRMQRPLPJBO-NSHDSACASA-N 1 0 264.325 2.642 20 5 CFBDRO COc1ccc(OCC[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000173489081 348109099 /nfs/dbraw/zinc/10/90/99/348109099.db2.gz FERSNDAQURPROP-LLVKDONJSA-N 1 0 294.351 2.713 20 5 CFBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000183691010 348126772 /nfs/dbraw/zinc/12/67/72/348126772.db2.gz FPJCHICRNMBSIT-UHFFFAOYSA-N 1 0 264.325 2.562 20 5 CFBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087015164 179379970 /nfs/dbraw/zinc/37/99/70/179379970.db2.gz QOICJKJWGYPZHQ-NSHDSACASA-N 1 0 266.341 2.797 20 5 CFBDRO CC[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251921207 348294503 /nfs/dbraw/zinc/29/45/03/348294503.db2.gz YMLFGDUWMAFTGB-ZWNOBZJWSA-N 1 0 297.786 2.807 20 5 CFBDRO Cc1cccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000280488776 348341385 /nfs/dbraw/zinc/34/13/85/348341385.db2.gz FEKKKWZYAIBNHM-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO Cc1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000280728351 348342043 /nfs/dbraw/zinc/34/20/43/348342043.db2.gz YRQWQPWIDHVYTL-UHFFFAOYSA-N 1 0 271.320 2.631 20 5 CFBDRO C[NH+](C)C1(CNc2c(Cl)cncc2[N+](=O)[O-])CCC1 ZINC000311368513 348412412 /nfs/dbraw/zinc/41/24/12/348412412.db2.gz QOYXKNCHJLUZTJ-UHFFFAOYSA-N 1 0 284.747 2.539 20 5 CFBDRO CO[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000312780042 348419992 /nfs/dbraw/zinc/41/99/92/348419992.db2.gz PERCLMAQJXPQAU-OAHLLOKOSA-N 1 0 278.352 2.808 20 5 CFBDRO CC[C@](C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OC ZINC000323055100 348438418 /nfs/dbraw/zinc/43/84/18/348438418.db2.gz RSCHFLYVQBCSDN-CQSZACIVSA-N 1 0 266.341 2.542 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccn(C)c1 ZINC000273393394 192137620 /nfs/dbraw/zinc/13/76/20/192137620.db2.gz KKADSHVJJVMLHR-UHFFFAOYSA-N 1 0 259.309 2.532 20 5 CFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000273425011 192145997 /nfs/dbraw/zinc/14/59/97/192145997.db2.gz RNTKODMQXNPSKU-CQSZACIVSA-N 1 0 290.319 2.628 20 5 CFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000273425009 192146356 /nfs/dbraw/zinc/14/63/56/192146356.db2.gz RNTKODMQXNPSKU-AWEZNQCLSA-N 1 0 290.319 2.628 20 5 CFBDRO CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402254405 348581442 /nfs/dbraw/zinc/58/14/42/348581442.db2.gz AQQGKJZRHRHNMJ-OSMZGAPFSA-N 1 0 264.325 2.813 20 5 CFBDRO CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402254407 348581693 /nfs/dbraw/zinc/58/16/93/348581693.db2.gz AQQGKJZRHRHNMJ-QKCSRTOESA-N 1 0 264.325 2.813 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000584715254 348707740 /nfs/dbraw/zinc/70/77/40/348707740.db2.gz OLGFQBLQDBJIIH-HAQNSBGRSA-N 1 0 294.351 2.747 20 5 CFBDRO Cc1ccnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000586773240 348750352 /nfs/dbraw/zinc/75/03/52/348750352.db2.gz FTOOQHIYWCKADR-UHFFFAOYSA-N 1 0 285.347 2.973 20 5 CFBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586779984 348751309 /nfs/dbraw/zinc/75/13/09/348751309.db2.gz RZEOZABMDPQJOW-KCJUWKMLSA-N 1 0 293.348 2.577 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000589183630 348816835 /nfs/dbraw/zinc/81/68/35/348816835.db2.gz ASGOVHNJPFXRLV-UHFFFAOYSA-N 1 0 286.331 2.975 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000589494687 348835913 /nfs/dbraw/zinc/83/59/13/348835913.db2.gz YFJLJQFRHAQXOX-LLVKDONJSA-N 1 0 292.335 2.613 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496278 348836129 /nfs/dbraw/zinc/83/61/29/348836129.db2.gz FJXOXJLPKOJFPT-JTQLQIEISA-N 1 0 280.324 2.612 20 5 CFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000589501676 348836211 /nfs/dbraw/zinc/83/62/11/348836211.db2.gz AWKFDORQDZXAHN-GHMZBOCLSA-N 1 0 292.335 2.612 20 5 CFBDRO Cc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000589584233 348839594 /nfs/dbraw/zinc/83/95/94/348839594.db2.gz LAWSBIQZFOANQY-NWDGAFQWSA-N 1 0 275.352 2.940 20 5 CFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000589598951 348841040 /nfs/dbraw/zinc/84/10/40/348841040.db2.gz QFEIKFKTSDYAHK-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000589609000 348842910 /nfs/dbraw/zinc/84/29/10/348842910.db2.gz DGHXSLSVRGMONO-LLVKDONJSA-N 1 0 266.345 2.522 20 5 CFBDRO CC[N@@H+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000589689983 348850879 /nfs/dbraw/zinc/85/08/79/348850879.db2.gz QEMJUDCDZXHOIO-NSHDSACASA-N 1 0 281.331 2.573 20 5 CFBDRO C[N@H+](CCCCNc1sccc1[N+](=O)[O-])C1CC1 ZINC000591166356 348996151 /nfs/dbraw/zinc/99/61/51/348996151.db2.gz ATPZSLMOUIXXOO-UHFFFAOYSA-N 1 0 269.370 2.943 20 5 CFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000591266082 349005604 /nfs/dbraw/zinc/00/56/04/349005604.db2.gz YOZYKLDFGXTPMO-LDYMZIIASA-N 1 0 256.252 2.728 20 5 CFBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000591464357 349025836 /nfs/dbraw/zinc/02/58/36/349025836.db2.gz XKGBTRWQICPMJN-UHFFFAOYSA-N 1 0 269.370 2.941 20 5 CFBDRO CC1(C)C[C@@H](NCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000591577264 349030751 /nfs/dbraw/zinc/03/07/51/349030751.db2.gz KRGAMSAAGQWECX-OAHLLOKOSA-N 1 0 289.379 2.659 20 5 CFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2=CCCC2)CC1 ZINC000592059018 349077060 /nfs/dbraw/zinc/07/70/60/349077060.db2.gz TXSOQKVNNJOMMC-UHFFFAOYSA-N 1 0 287.363 2.827 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000592141852 349090115 /nfs/dbraw/zinc/09/01/15/349090115.db2.gz PWTWKGMNGOZYLC-HIFRSBDPSA-N 1 0 276.336 2.514 20 5 CFBDRO C[N@H+](CCC(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592145526 349090273 /nfs/dbraw/zinc/09/02/73/349090273.db2.gz XHBIQFAWNPAQDE-UHFFFAOYSA-N 1 0 293.367 2.562 20 5 CFBDRO O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OCC1C[NH2+]C1 ZINC000592160304 349093533 /nfs/dbraw/zinc/09/35/33/349093533.db2.gz JCLPPWRSGGGDDH-UHFFFAOYSA-N 1 0 298.342 2.784 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356133 349107845 /nfs/dbraw/zinc/10/78/45/349107845.db2.gz WZCOIRVRNCPFSN-LLVKDONJSA-N 1 0 288.307 2.686 20 5 CFBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182436 349095791 /nfs/dbraw/zinc/09/57/91/349095791.db2.gz AESZUROGLBBNMQ-CYBMUJFWSA-N 1 0 290.363 2.986 20 5 CFBDRO CCC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592993963 349183126 /nfs/dbraw/zinc/18/31/26/349183126.db2.gz LWASAXGRTJETEK-NSHDSACASA-N 1 0 279.340 2.702 20 5 CFBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000593068827 349201614 /nfs/dbraw/zinc/20/16/14/349201614.db2.gz PMEKOWBZVXAEAJ-CQSZACIVSA-N 1 0 278.352 2.904 20 5 CFBDRO C[C@@H](CO)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593082153 349203673 /nfs/dbraw/zinc/20/36/73/349203673.db2.gz GNARWPPOWJAZFP-STQMWFEESA-N 1 0 292.379 2.996 20 5 CFBDRO C[C@@H](CO)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593082150 349204135 /nfs/dbraw/zinc/20/41/35/349204135.db2.gz GNARWPPOWJAZFP-QWHCGFSZSA-N 1 0 292.379 2.996 20 5 CFBDRO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593694751 349311184 /nfs/dbraw/zinc/31/11/84/349311184.db2.gz RJPJFHKSEJGMLV-LBPRGKRZSA-N 1 0 280.368 2.921 20 5 CFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1(C)C ZINC000594496750 349431045 /nfs/dbraw/zinc/43/10/45/349431045.db2.gz UCQQOGFOULMSJV-VHDGCEQUSA-N 1 0 290.363 2.985 20 5 CFBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1(C)C ZINC000594496748 349431342 /nfs/dbraw/zinc/43/13/42/349431342.db2.gz UCQQOGFOULMSJV-BPLDGKMQSA-N 1 0 290.363 2.985 20 5 CFBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594503512 349433014 /nfs/dbraw/zinc/43/30/14/349433014.db2.gz WKLDPGSXNXKOAO-VXGBXAGGSA-N 1 0 296.392 2.847 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC34CC4)nc2c1 ZINC000597117406 350032709 /nfs/dbraw/zinc/03/27/09/350032709.db2.gz OVISLQQXOMRHDM-CYBMUJFWSA-N 1 0 286.335 2.893 20 5 CFBDRO C[C@@H]1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000597206755 350055034 /nfs/dbraw/zinc/05/50/34/350055034.db2.gz VKJBQAHFRPVTJR-WFMXKNRHSA-N 1 0 290.363 2.557 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC2(COC2)C1 ZINC000597228191 350064124 /nfs/dbraw/zinc/06/41/24/350064124.db2.gz AWLZEDUSANXVNG-QPEQYQDCSA-N 1 0 288.347 2.720 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597231701 350065427 /nfs/dbraw/zinc/06/54/27/350065427.db2.gz PSAJTAOHMFFBJY-OGCZOTBESA-N 1 0 288.347 2.576 20 5 CFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539694 180000512 /nfs/dbraw/zinc/00/05/12/180000512.db2.gz PALFVURFXUJQQI-VHDGCEQUSA-N 1 0 294.399 2.842 20 5 CFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCCC1 ZINC000104661214 186012586 /nfs/dbraw/zinc/01/25/86/186012586.db2.gz BGNZKQJUHJCNKN-UHFFFAOYSA-N 1 0 264.325 2.978 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000271301401 191060667 /nfs/dbraw/zinc/06/06/67/191060667.db2.gz UULJEZUPIXPLDF-WCQYABFASA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000271309173 191064792 /nfs/dbraw/zinc/06/47/92/191064792.db2.gz LYIJZQHYKFYEJH-GXTWGEPZSA-N 1 0 277.368 2.822 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271321188 191072150 /nfs/dbraw/zinc/07/21/50/191072150.db2.gz DJOOIJXQUSRIRJ-GXTWGEPZSA-N 1 0 278.352 2.808 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1cnccn1 ZINC000271324413 191074353 /nfs/dbraw/zinc/07/43/53/191074353.db2.gz KMJMYTNNFZEIFP-GFCCVEGCSA-N 1 0 286.335 2.620 20 5 CFBDRO CC1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598648447 350302551 /nfs/dbraw/zinc/30/25/51/350302551.db2.gz RRRZWDGMUGBWDG-UHFFFAOYSA-N 1 0 252.289 2.870 20 5 CFBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000091959919 180292181 /nfs/dbraw/zinc/29/21/81/180292181.db2.gz QTEYNMBNUPVINV-OBJOEFQTSA-N 1 0 277.368 2.728 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000598985597 350354105 /nfs/dbraw/zinc/35/41/05/350354105.db2.gz VGETVWRMFPWEQP-GFCCVEGCSA-N 1 0 264.325 2.501 20 5 CFBDRO C[NH+]1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019135 350359554 /nfs/dbraw/zinc/35/95/54/350359554.db2.gz DARWOSMEHMNUMR-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO CO[C@H]1C[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000599018324 350359621 /nfs/dbraw/zinc/35/96/21/350359621.db2.gz VORLBJAHKWAMMW-WFEYYVJBSA-N 1 0 276.336 2.623 20 5 CFBDRO C[N@@H+]1CC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599041869 350363423 /nfs/dbraw/zinc/36/34/23/350363423.db2.gz XJDGFWXDBCQCOM-NSHDSACASA-N 1 0 286.335 2.507 20 5 CFBDRO C[C@@H](O)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599079811 350371506 /nfs/dbraw/zinc/37/15/06/350371506.db2.gz PJQDMJDIULOFHA-SNVBAGLBSA-N 1 0 275.308 2.716 20 5 CFBDRO CC1(C)C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000599083296 350372469 /nfs/dbraw/zinc/37/24/69/350372469.db2.gz XOKBYOSRWVBLQN-NVBFEUDRSA-N 1 0 290.363 2.678 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)CCCC2 ZINC000599081250 350372599 /nfs/dbraw/zinc/37/25/99/350372599.db2.gz KCURMLUTKXNHIW-DIOULYMOSA-N 1 0 290.363 2.723 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599083499 350372607 /nfs/dbraw/zinc/37/26/07/350372607.db2.gz XXNVPGGTGUBOCY-BYCMXARLSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[NH+](CC)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794562 186071554 /nfs/dbraw/zinc/07/15/54/186071554.db2.gz KVZJQADIBNGIJR-UHFFFAOYSA-N 1 0 291.355 2.615 20 5 CFBDRO C[N@@H+]1CCCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599140691 350382891 /nfs/dbraw/zinc/38/28/91/350382891.db2.gz XNXNNPUXFPQWNR-LLVKDONJSA-N 1 0 281.331 2.878 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000599139849 350383035 /nfs/dbraw/zinc/38/30/35/350383035.db2.gz RCLUUEFECZLCLG-CYBMUJFWSA-N 1 0 292.383 2.750 20 5 CFBDRO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000599178874 350390440 /nfs/dbraw/zinc/39/04/40/350390440.db2.gz LQKOZMAJAUKWMF-WDEREUQCSA-N 1 0 281.331 2.619 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599624447 350466310 /nfs/dbraw/zinc/46/63/10/350466310.db2.gz FDSAMSVUFYSXRL-LMCGPQHNSA-N 1 0 294.351 2.505 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[NH+](C2CC2)C2CC2)cc1 ZINC000599596010 350462200 /nfs/dbraw/zinc/46/22/00/350462200.db2.gz YHGJVZBPVOYEPW-UHFFFAOYSA-N 1 0 276.336 2.991 20 5 CFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107695854 186186852 /nfs/dbraw/zinc/18/68/52/186186852.db2.gz WBORLQPUGPKPKW-SNVBAGLBSA-N 1 0 270.354 2.515 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000107692500 186187524 /nfs/dbraw/zinc/18/75/24/186187524.db2.gz BPNCOFBMKOHOEY-CYBMUJFWSA-N 1 0 278.352 2.762 20 5 CFBDRO C[C@@H]1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[NH2+]1 ZINC000600708230 350599471 /nfs/dbraw/zinc/59/94/71/350599471.db2.gz DQZHWHRAFDXUAV-PVXIVEMSSA-N 1 0 289.379 2.702 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109544242 186260509 /nfs/dbraw/zinc/26/05/09/186260509.db2.gz OJSJJBNFRPQCBX-WCQYABFASA-N 1 0 264.325 2.733 20 5 CFBDRO CC(C)C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000601101030 350668635 /nfs/dbraw/zinc/66/86/35/350668635.db2.gz GBSDVEAQUWRSPW-NSHDSACASA-N 1 0 284.335 2.517 20 5 CFBDRO COc1cc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1F ZINC000110793420 186324913 /nfs/dbraw/zinc/32/49/13/186324913.db2.gz OHMQYRKYWDEKHB-SNVBAGLBSA-N 1 0 297.330 2.544 20 5 CFBDRO CC(C)([NH2+]Cc1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000601108707 350670743 /nfs/dbraw/zinc/67/07/43/350670743.db2.gz JCNWDDOKZKSTLK-UHFFFAOYSA-N 1 0 287.319 2.720 20 5 CFBDRO CCOc1cc(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111048670 186348210 /nfs/dbraw/zinc/34/82/10/186348210.db2.gz PRKBZYYEJUQLIL-NSHDSACASA-N 1 0 281.356 2.746 20 5 CFBDRO CCC[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000601139897 350680104 /nfs/dbraw/zinc/68/01/04/350680104.db2.gz NJVHDVHEUKXBSW-ZDUSSCGKSA-N 1 0 296.367 2.634 20 5 CFBDRO CCC[C@H](CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000601140294 350680675 /nfs/dbraw/zinc/68/06/75/350680675.db2.gz SXQKVONXFZSORS-LHRNQBEKSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@](CO)([NH2+]Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000601148643 350682162 /nfs/dbraw/zinc/68/21/62/350682162.db2.gz GCWIRKNBVBCBNZ-AWEZNQCLSA-N 1 0 292.360 2.654 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1NCCCCC[NH+]1CCCC1 ZINC000601168960 350687362 /nfs/dbraw/zinc/68/73/62/350687362.db2.gz GYOMURDIQWECEQ-UHFFFAOYSA-N 1 0 296.346 2.807 20 5 CFBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000601189718 350692297 /nfs/dbraw/zinc/69/22/97/350692297.db2.gz MFDVNIXRQKQUES-NWDGAFQWSA-N 1 0 294.330 2.558 20 5 CFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)F ZINC000601287282 350717754 /nfs/dbraw/zinc/71/77/54/350717754.db2.gz GMVGEQQPEPHBEH-JTQLQIEISA-N 1 0 297.330 2.650 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601299066 350719039 /nfs/dbraw/zinc/71/90/39/350719039.db2.gz NIGXANSUMFZSNI-BXKDBHETSA-N 1 0 288.294 2.570 20 5 CFBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000111275665 186387546 /nfs/dbraw/zinc/38/75/46/186387546.db2.gz GPSPAFHQLGLIAV-WFASDCNBSA-N 1 0 278.352 2.637 20 5 CFBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602482030 350901290 /nfs/dbraw/zinc/90/12/90/350901290.db2.gz FGFOFNFIEXVNNB-ZDUSSCGKSA-N 1 0 280.372 2.729 20 5 CFBDRO CO[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000602543315 350918379 /nfs/dbraw/zinc/91/83/79/350918379.db2.gz AOHDVRURHZMFGM-INIZCTEOSA-N 1 0 292.379 2.932 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000602543323 350918628 /nfs/dbraw/zinc/91/86/28/350918628.db2.gz AXTVWVAEHMGVJO-BTTYYORXSA-N 1 0 260.337 2.773 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000602544041 350919344 /nfs/dbraw/zinc/91/93/44/350919344.db2.gz HMMPGPLRCMOYJY-SKDRFNHKSA-N 1 0 270.279 2.771 20 5 CFBDRO CO[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000602543644 350919374 /nfs/dbraw/zinc/91/93/74/350919374.db2.gz FCQSEZKGOIGCER-HNNXBMFYSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000602570479 350928263 /nfs/dbraw/zinc/92/82/63/350928263.db2.gz WEYBTBUWMZEUNY-LBPRGKRZSA-N 1 0 280.372 2.597 20 5 CFBDRO C[C@@H]([NH2+]CCC[C@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC000602581550 350933599 /nfs/dbraw/zinc/93/35/99/350933599.db2.gz KFFDPMHIOSUNBE-NEPJUHHUSA-N 1 0 264.325 2.815 20 5 CFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602581514 350933953 /nfs/dbraw/zinc/93/39/53/350933953.db2.gz JIKKQGHJCAYCNH-DZGCQCFKSA-N 1 0 278.352 2.542 20 5 CFBDRO Cc1c(NC(=O)[C@H]([NH3+])CCC(C)C)cccc1[N+](=O)[O-] ZINC000602436921 350881072 /nfs/dbraw/zinc/88/10/72/350881072.db2.gz OUMFPNXVVFDFTA-LLVKDONJSA-N 1 0 279.340 2.605 20 5 CFBDRO CC1CCC([N@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)CC1 ZINC000602441561 350885402 /nfs/dbraw/zinc/88/54/02/350885402.db2.gz QCDXGYNYPUVUTF-UHFFFAOYSA-N 1 0 292.383 2.871 20 5 CFBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000602444268 350885907 /nfs/dbraw/zinc/88/59/07/350885907.db2.gz DOVPOPMQYLMRPN-XBFCOCLRSA-N 1 0 292.383 2.729 20 5 CFBDRO CC[C@](C)(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000602651185 350961590 /nfs/dbraw/zinc/96/15/90/350961590.db2.gz QVAUMYHITJIAIA-OAHLLOKOSA-N 1 0 280.368 2.884 20 5 CFBDRO C[N@H+](CCC[C@@H]1CCO1)CCc1ccccc1[N+](=O)[O-] ZINC000602651048 350962212 /nfs/dbraw/zinc/96/22/12/350962212.db2.gz OSNXVPFIGOUBTA-CQSZACIVSA-N 1 0 278.352 2.638 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000602674070 350971618 /nfs/dbraw/zinc/97/16/18/350971618.db2.gz GWFFDALOHSEYTR-LLVKDONJSA-N 1 0 287.319 2.589 20 5 CFBDRO CC[C@H](C)C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602694637 350982275 /nfs/dbraw/zinc/98/22/75/350982275.db2.gz ADSNMXQLCBFSSW-JSGCOSHPSA-N 1 0 280.368 2.524 20 5 CFBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000602701446 350987050 /nfs/dbraw/zinc/98/70/50/350987050.db2.gz SWJCBNRLTYTNQO-MRXNPFEDSA-N 1 0 291.395 2.553 20 5 CFBDRO CC(C)CC[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602723004 351000695 /nfs/dbraw/zinc/00/06/95/351000695.db2.gz KFMNXAHNKLJUOU-CQSZACIVSA-N 1 0 280.368 2.524 20 5 CFBDRO CSC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000602725018 351001274 /nfs/dbraw/zinc/00/12/74/351001274.db2.gz HFROICGLGGWXLF-UHFFFAOYSA-N 1 0 282.365 2.628 20 5 CFBDRO CSC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602727332 351002485 /nfs/dbraw/zinc/00/24/85/351002485.db2.gz ZGZCVPCYWAHPSL-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO CC(C)C1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000602637212 350956104 /nfs/dbraw/zinc/95/61/04/350956104.db2.gz NAYLVCQVBGSQBN-UHFFFAOYSA-N 1 0 292.383 2.864 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1CC(C)C ZINC000602770692 351019442 /nfs/dbraw/zinc/01/94/42/351019442.db2.gz XXCZWSNWVUPTMR-ZDUSSCGKSA-N 1 0 280.372 2.610 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000602787023 351024889 /nfs/dbraw/zinc/02/48/89/351024889.db2.gz GBPSYIYCSOBSBF-AWEZNQCLSA-N 1 0 294.399 2.858 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000602800142 351030238 /nfs/dbraw/zinc/03/02/38/351030238.db2.gz JWJATPRZQWFWEF-GFCCVEGCSA-N 1 0 288.351 2.759 20 5 CFBDRO CCC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602802617 351031651 /nfs/dbraw/zinc/03/16/51/351031651.db2.gz RQDNGQFGGCJXGX-AWEZNQCLSA-N 1 0 288.351 2.959 20 5 CFBDRO CCCC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602807911 351034172 /nfs/dbraw/zinc/03/41/72/351034172.db2.gz XETLJUVNYJCOIM-ZDUSSCGKSA-N 1 0 280.372 2.777 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000602813432 351036087 /nfs/dbraw/zinc/03/60/87/351036087.db2.gz XNUGWJQVVYGVMF-ZIAGYGMSSA-N 1 0 294.399 2.904 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccsc1 ZINC000602822387 351037419 /nfs/dbraw/zinc/03/74/19/351037419.db2.gz CPACDGOBFSSQQH-SECBINFHSA-N 1 0 280.353 2.512 20 5 CFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000602902645 351061373 /nfs/dbraw/zinc/06/13/73/351061373.db2.gz KBNBVVPKSXMGLM-AWEZNQCLSA-N 1 0 292.383 2.612 20 5 CFBDRO CC/C=C\CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962665 351073413 /nfs/dbraw/zinc/07/34/13/351073413.db2.gz NMMAWUUNOBVZDH-FOSCPCJNSA-N 1 0 278.352 2.748 20 5 CFBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000603031022 351092821 /nfs/dbraw/zinc/09/28/21/351092821.db2.gz ZPPOUWNSSCRBSS-HNNXBMFYSA-N 1 0 292.383 2.836 20 5 CFBDRO C[C@H]1C[C@H](C)C[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000603661535 351177516 /nfs/dbraw/zinc/17/75/16/351177516.db2.gz ADORJVGKMILDHD-STQMWFEESA-N 1 0 278.352 2.952 20 5 CFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cccnc1[N+](=O)[O-] ZINC000604323391 351207242 /nfs/dbraw/zinc/20/72/42/351207242.db2.gz LPFUPDICHJETPU-VXGBXAGGSA-N 1 0 278.356 2.522 20 5 CFBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])s1 ZINC000604408739 351211360 /nfs/dbraw/zinc/21/13/60/351211360.db2.gz FQURPKXPJGOYKY-UHFFFAOYSA-N 1 0 257.359 2.656 20 5 CFBDRO C[N@H+](CCOC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000604482990 351214588 /nfs/dbraw/zinc/21/45/88/351214588.db2.gz KXERUMUTURMCHL-UHFFFAOYSA-N 1 0 266.341 2.842 20 5 CFBDRO Cc1c(CN2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609385598 351499998 /nfs/dbraw/zinc/49/99/98/351499998.db2.gz CDNAFMLUNGKGBM-OAHLLOKOSA-N 1 0 291.395 2.866 20 5 CFBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])s2)CCSC1 ZINC000610489215 351569683 /nfs/dbraw/zinc/56/96/83/351569683.db2.gz UJUTWLLARWKRCV-NSHDSACASA-N 1 0 287.410 2.506 20 5 CFBDRO CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610517411 351576224 /nfs/dbraw/zinc/57/62/24/351576224.db2.gz DTGPEMRFRKXJKT-AWEZNQCLSA-N 1 0 274.324 2.867 20 5 CFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000610575767 351582584 /nfs/dbraw/zinc/58/25/84/351582584.db2.gz NXHRUDSRDRTWCR-SNVBAGLBSA-N 1 0 298.774 2.930 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000610707549 351594545 /nfs/dbraw/zinc/59/45/45/351594545.db2.gz XDGWGETXWXXSSY-XVDXGNGTSA-N 1 0 290.363 2.749 20 5 CFBDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000610341303 351555995 /nfs/dbraw/zinc/55/59/95/351555995.db2.gz RDVWXQUGRBEGNG-GFCCVEGCSA-N 1 0 288.351 2.612 20 5 CFBDRO CC[N@@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092033 351639918 /nfs/dbraw/zinc/63/99/18/351639918.db2.gz HCXJISLOKTZZAT-QWHCGFSZSA-N 1 0 277.368 2.682 20 5 CFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000611116281 351642129 /nfs/dbraw/zinc/64/21/29/351642129.db2.gz VMBFSUFNXJEFGL-LBPRGKRZSA-N 1 0 295.408 2.824 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC3)CC2)cc1 ZINC000611177640 351647764 /nfs/dbraw/zinc/64/77/64/351647764.db2.gz PSPKZALEXULRJM-UHFFFAOYSA-N 1 0 276.336 2.850 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC000611180687 351649651 /nfs/dbraw/zinc/64/96/51/351649651.db2.gz PKHKMWILTKDVCL-UHFFFAOYSA-N 1 0 282.290 2.868 20 5 CFBDRO CCC[NH+](CCC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249501 351656695 /nfs/dbraw/zinc/65/66/95/351656695.db2.gz UOASXXLEHOMCOM-UHFFFAOYSA-N 1 0 294.351 2.988 20 5 CFBDRO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000611271600 351661106 /nfs/dbraw/zinc/66/11/06/351661106.db2.gz KHFPFSWAAJZPMI-UHFFFAOYSA-N 1 0 292.335 2.598 20 5 CFBDRO CC[NH+](CC)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000611412437 351685979 /nfs/dbraw/zinc/68/59/79/351685979.db2.gz OZRIMHFSIQOHSS-VIFPVBQESA-N 1 0 257.359 2.799 20 5 CFBDRO CC[N@@H+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611516709 351702613 /nfs/dbraw/zinc/70/26/13/351702613.db2.gz DENTZBZECLWCBZ-UONOGXRCSA-N 1 0 291.395 2.990 20 5 CFBDRO CC[N@@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611516707 351702655 /nfs/dbraw/zinc/70/26/55/351702655.db2.gz DENTZBZECLWCBZ-KBPBESRZSA-N 1 0 291.395 2.990 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CC1 ZINC000611337433 351669960 /nfs/dbraw/zinc/66/99/60/351669960.db2.gz FCJQUSFMYGPAHS-SWLSCSKDSA-N 1 0 292.379 2.667 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000611337482 351670020 /nfs/dbraw/zinc/67/00/20/351670020.db2.gz PPCXQEIGRKHYCZ-YPMHNXCESA-N 1 0 278.352 2.715 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000611337500 351670245 /nfs/dbraw/zinc/67/02/45/351670245.db2.gz UXNCZWIOZYQWSP-DGCLKSJQSA-N 1 0 278.352 2.715 20 5 CFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)C1CCCCC1 ZINC000611684721 351723242 /nfs/dbraw/zinc/72/32/42/351723242.db2.gz OMTHEUPDQWCQBJ-CQSZACIVSA-N 1 0 296.342 2.765 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H](OC(F)F)C2)c1 ZINC000611578776 351711655 /nfs/dbraw/zinc/71/16/55/351711655.db2.gz RZPITYZQNPNICW-LBPRGKRZSA-N 1 0 286.278 2.798 20 5 CFBDRO C[C@H](CCNc1cccnc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000612113637 351777789 /nfs/dbraw/zinc/77/77/89/351777789.db2.gz NRHOXMJHOYNWGD-GFCCVEGCSA-N 1 0 278.356 2.666 20 5 CFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295159213 199378727 /nfs/dbraw/zinc/37/87/27/199378727.db2.gz DPUDMXYFJSARHG-CYBMUJFWSA-N 1 0 278.352 2.578 20 5 CFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611943525 351754446 /nfs/dbraw/zinc/75/44/46/351754446.db2.gz KRQVIYMCGHKGFY-CYBMUJFWSA-N 1 0 282.315 2.735 20 5 CFBDRO CCC[C@H]([NH2+]CCCNC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000121396345 186969861 /nfs/dbraw/zinc/96/98/61/186969861.db2.gz LSEWWULPACVOKL-HNNXBMFYSA-N 1 0 293.367 2.552 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122857244 187056085 /nfs/dbraw/zinc/05/60/85/187056085.db2.gz BYKAXKUXYIBEIP-SMDDNHRTSA-N 1 0 266.341 2.797 20 5 CFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000123321694 187084934 /nfs/dbraw/zinc/08/49/34/187084934.db2.gz QIJMKOPEVRDVIH-GFCCVEGCSA-N 1 0 278.352 2.542 20 5 CFBDRO COc1ccc(OCC[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000123325533 187085117 /nfs/dbraw/zinc/08/51/17/187085117.db2.gz JYZJZTDWPQYKOR-TXEJJXNPSA-N 1 0 294.351 2.855 20 5 CFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123742469 187107372 /nfs/dbraw/zinc/10/73/72/187107372.db2.gz BLCAFDOTUKYIEI-BXUZGUMPSA-N 1 0 296.342 2.859 20 5 CFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(F)ccc1[N+](=O)[O-] ZINC000376261134 297263746 /nfs/dbraw/zinc/26/37/46/297263746.db2.gz XKUVSIIVNOOAMQ-DGCLKSJQSA-N 1 0 293.342 2.797 20 5 CFBDRO CCC(=O)c1ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291980508 198124006 /nfs/dbraw/zinc/12/40/06/198124006.db2.gz WZNRLDLGTTZFJG-LLVKDONJSA-N 1 0 293.367 2.797 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CO ZINC000615726112 352236092 /nfs/dbraw/zinc/23/60/92/352236092.db2.gz VXBLPDJNSDZDDM-GHXNOFRVSA-N 1 0 278.352 2.606 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCN(C)C1 ZINC000615720614 352236299 /nfs/dbraw/zinc/23/62/99/352236299.db2.gz YADBFPSFYPAHMO-CTXBLAANSA-N 1 0 289.379 2.682 20 5 CFBDRO CCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000271503356 191178155 /nfs/dbraw/zinc/17/81/55/191178155.db2.gz NOIDZFVOUHAQFT-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO CC[C@@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000616487691 352358244 /nfs/dbraw/zinc/35/82/44/352358244.db2.gz CGAFUWNAMKZUBG-ZQMJAJRESA-N 1 0 276.336 2.767 20 5 CFBDRO COCCC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271529609 191194713 /nfs/dbraw/zinc/19/47/13/191194713.db2.gz PIAPZYIFHVXZSP-LBPRGKRZSA-N 1 0 266.341 2.542 20 5 CFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271532703 191195494 /nfs/dbraw/zinc/19/54/94/191195494.db2.gz MNKNKEATFJUTRV-KYOSRNDESA-N 1 0 278.352 2.891 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000221820680 539890378 /nfs/dbraw/zinc/89/03/78/539890378.db2.gz MIGVSFZSTMBPKI-UHFFFAOYSA-N 1 0 277.349 2.692 20 5 CFBDRO CC(C)([NH2+]CC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000292142861 198180473 /nfs/dbraw/zinc/18/04/73/198180473.db2.gz MPYJXSBGDCPXMA-LBPRGKRZSA-N 1 0 278.352 2.989 20 5 CFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCCC1)CCC2 ZINC000618568429 352811806 /nfs/dbraw/zinc/81/18/06/352811806.db2.gz SJYQROHVFNULMG-OAHLLOKOSA-N 1 0 290.363 2.867 20 5 CFBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000618579305 352817985 /nfs/dbraw/zinc/81/79/85/352817985.db2.gz LTKUKTCXJDMFGL-SQWLQELKSA-N 1 0 290.363 2.683 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H](C)CO ZINC000292164070 198187055 /nfs/dbraw/zinc/18/70/55/198187055.db2.gz LEQKUPHEYISVEA-GFCCVEGCSA-N 1 0 296.367 2.585 20 5 CFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136807275 187887912 /nfs/dbraw/zinc/88/79/12/187887912.db2.gz CUVSNGIVJMIVNB-DFBGVHRSSA-N 1 0 278.352 2.797 20 5 CFBDRO CC[C@H]([NH2+]CCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000148772711 187918643 /nfs/dbraw/zinc/91/86/43/187918643.db2.gz DRRPIZVQIRIZJH-HNNXBMFYSA-N 1 0 288.351 2.612 20 5 CFBDRO C[C@@H]1CC[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])O1 ZINC000292221059 198208157 /nfs/dbraw/zinc/20/81/57/198208157.db2.gz VADZVGXSAZESAW-VXGBXAGGSA-N 1 0 278.352 2.987 20 5 CFBDRO C[NH+]1CCC(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153659877 188095759 /nfs/dbraw/zinc/09/57/59/188095759.db2.gz VVSVFBVMKCPXQV-UHFFFAOYSA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000153930899 188112818 /nfs/dbraw/zinc/11/28/18/188112818.db2.gz LXNGJPPMWDMXLH-SCZZXKLOSA-N 1 0 296.758 2.680 20 5 CFBDRO C[C@@H](CCO)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000295163791 199381554 /nfs/dbraw/zinc/38/15/54/199381554.db2.gz SOFZHKPPOBHANP-DIECRNLCSA-N 1 0 278.352 2.606 20 5 CFBDRO C[C@@H]1C[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000153829773 188106385 /nfs/dbraw/zinc/10/63/85/188106385.db2.gz ZMUAVCGYQOBUIG-MWLCHTKSSA-N 1 0 298.774 2.562 20 5 CFBDRO Cc1ccc([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157694356 188332604 /nfs/dbraw/zinc/33/26/04/188332604.db2.gz PBFRUWSAIVMUPA-CYBMUJFWSA-N 1 0 288.351 2.793 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000174311131 188891665 /nfs/dbraw/zinc/89/16/65/188891665.db2.gz VNGCGOWWWOCRDI-OAHLLOKOSA-N 1 0 291.395 2.819 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000375235841 283152274 /nfs/dbraw/zinc/15/22/74/283152274.db2.gz WYSZUHNUPXRYSY-HZMBPMFUSA-N 1 0 295.770 2.779 20 5 CFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])nc1 ZINC000569089988 290585350 /nfs/dbraw/zinc/58/53/50/290585350.db2.gz RTZAVWHNVVQNSY-JHJVBQTASA-N 1 0 292.383 2.768 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569150904 290589080 /nfs/dbraw/zinc/58/90/80/290589080.db2.gz YJNDJJWIEPDONI-WDEREUQCSA-N 1 0 291.351 2.632 20 5 CFBDRO C[C@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294677500 199129601 /nfs/dbraw/zinc/12/96/01/199129601.db2.gz BHLCJURONXKDGB-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO CCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000294814223 199194934 /nfs/dbraw/zinc/19/49/34/199194934.db2.gz OELSBCAINYTSKT-UHFFFAOYSA-N 1 0 250.298 2.636 20 5 CFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751964 291158123 /nfs/dbraw/zinc/15/81/23/291158123.db2.gz XDVBPXZFJVLQAF-DVOMOZLQSA-N 1 0 289.379 2.761 20 5 CFBDRO Cc1nc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000178020985 189086085 /nfs/dbraw/zinc/08/60/85/189086085.db2.gz HUKHINSMTPKBSO-UHFFFAOYSA-N 1 0 290.367 2.585 20 5 CFBDRO CSCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179519351 189198807 /nfs/dbraw/zinc/19/88/07/189198807.db2.gz MUCAAEVABKMYLY-UHFFFAOYSA-N 1 0 266.366 2.922 20 5 CFBDRO C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000301980400 540969482 /nfs/dbraw/zinc/96/94/82/540969482.db2.gz ARJBBMZGIUVLIM-RKDXNWHRSA-N 1 0 267.354 2.693 20 5 CFBDRO CCOC(=O)CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180437720 189255471 /nfs/dbraw/zinc/25/54/71/189255471.db2.gz AWZQHXFBSYTLTF-LBPRGKRZSA-N 1 0 294.351 2.979 20 5 CFBDRO Cc1ccnc(NC[C@@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301310046 200971756 /nfs/dbraw/zinc/97/17/56/200971756.db2.gz YPKBMJGYVKUHGQ-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000301440729 201009718 /nfs/dbraw/zinc/00/97/18/201009718.db2.gz MEONNVYKEGFCMQ-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000182329306 189320572 /nfs/dbraw/zinc/32/05/72/189320572.db2.gz AXXCBPNTVVAMBJ-ZFWWWQNUSA-N 1 0 278.352 2.950 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000301567195 201071598 /nfs/dbraw/zinc/07/15/98/201071598.db2.gz WPZUSQWHROSIIO-CYBMUJFWSA-N 1 0 293.367 2.890 20 5 CFBDRO COc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301627812 201104178 /nfs/dbraw/zinc/10/41/78/201104178.db2.gz HMOBCIWRAMKLNT-NSHDSACASA-N 1 0 295.383 2.992 20 5 CFBDRO Cc1nc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301653868 201119604 /nfs/dbraw/zinc/11/96/04/201119604.db2.gz RIZWVSLFJZDNPQ-NWDGAFQWSA-N 1 0 292.383 2.831 20 5 CFBDRO C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000183101695 189346699 /nfs/dbraw/zinc/34/66/99/189346699.db2.gz IIEQNCGGVOFGCP-LBPRGKRZSA-N 1 0 286.331 2.938 20 5 CFBDRO COc1cc(C[N@H+](C)C2CCC2)c([N+](=O)[O-])cc1F ZINC000184223694 189380287 /nfs/dbraw/zinc/38/02/87/189380287.db2.gz AMRJBWAYYRGQFE-UHFFFAOYSA-N 1 0 268.288 2.727 20 5 CFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000301930751 201266581 /nfs/dbraw/zinc/26/65/81/201266581.db2.gz KVYZPHCUVQPDAB-SNVBAGLBSA-N 1 0 269.370 2.943 20 5 CFBDRO Cc1cc(N(C)Cc2ncc[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000428109777 239386490 /nfs/dbraw/zinc/38/64/90/239386490.db2.gz YDFLRHCBYCJHJU-UHFFFAOYSA-N 1 0 297.318 2.811 20 5 CFBDRO CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616333 240332231 /nfs/dbraw/zinc/33/22/31/240332231.db2.gz RZKIAAMLSAYSAB-LBPRGKRZSA-N 1 0 295.358 2.698 20 5 CFBDRO Cc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000439657677 240787992 /nfs/dbraw/zinc/78/79/92/240787992.db2.gz FZAKRUCBMLNEJX-JSGCOSHPSA-N 1 0 263.341 2.798 20 5 CFBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275859755 193149607 /nfs/dbraw/zinc/14/96/07/193149607.db2.gz MKJNPMUVXXNQLE-JOCQHMNTSA-N 1 0 298.770 2.984 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CCC[C@H]43)nc2c1 ZINC000444681838 241165810 /nfs/dbraw/zinc/16/58/10/241165810.db2.gz XEDWRSDGBDAABV-IINYFYTJSA-N 1 0 286.335 2.846 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000444681837 241167885 /nfs/dbraw/zinc/16/78/85/241167885.db2.gz XEDWRSDGBDAABV-HZMBPMFUSA-N 1 0 286.335 2.846 20 5 CFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC23CCC3)cc1 ZINC000444773152 241190450 /nfs/dbraw/zinc/19/04/50/241190450.db2.gz CPFGLRIYEMGFSU-UHFFFAOYSA-N 1 0 276.336 2.992 20 5 CFBDRO CC(C)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000446730394 241320301 /nfs/dbraw/zinc/32/03/01/241320301.db2.gz VNYMXKURUZNUNN-ZDUSSCGKSA-N 1 0 278.352 2.952 20 5 CFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000447801428 241411555 /nfs/dbraw/zinc/41/15/55/241411555.db2.gz CERCIRMXPFOECL-LBPRGKRZSA-N 1 0 278.356 2.522 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000449417007 241914865 /nfs/dbraw/zinc/91/48/65/241914865.db2.gz WHPKQUXRTVURDH-RISCZKNCSA-N 1 0 278.352 2.683 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000449592849 242056211 /nfs/dbraw/zinc/05/62/11/242056211.db2.gz ZBSNVQUIXDEDFP-CQSZACIVSA-N 1 0 280.368 2.824 20 5 CFBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449633536 242082245 /nfs/dbraw/zinc/08/22/45/242082245.db2.gz UMDSEHKVALLXNA-MKBNYLNASA-N 1 0 292.379 2.929 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000449549841 242020208 /nfs/dbraw/zinc/02/02/08/242020208.db2.gz AWHPMKPPOQEPAX-IIAWOOMASA-N 1 0 290.363 2.578 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449687447 242109971 /nfs/dbraw/zinc/10/99/71/242109971.db2.gz PNYLXUORBLBCEE-OAHLLOKOSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000449740572 242128300 /nfs/dbraw/zinc/12/83/00/242128300.db2.gz PYAYBDZDWOIKDO-BLLLJJGKSA-N 1 0 292.379 2.667 20 5 CFBDRO CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000449643758 242090129 /nfs/dbraw/zinc/09/01/29/242090129.db2.gz ZHXLLBOPDWRQPV-NQSJFCTJSA-N 1 0 278.352 2.747 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)c(Cl)c1 ZINC000449793860 242169947 /nfs/dbraw/zinc/16/99/47/242169947.db2.gz YLSNBCTXLIHINZ-LLVKDONJSA-N 1 0 298.770 2.843 20 5 CFBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275897033 193158532 /nfs/dbraw/zinc/15/85/32/193158532.db2.gz CNVRESRGGSNOLH-JDCQKFBDSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@@H](C)C1 ZINC000452059691 243028880 /nfs/dbraw/zinc/02/88/80/243028880.db2.gz CLSXXKPBNKJRMT-AGIUHOORSA-N 1 0 280.372 2.596 20 5 CFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330817141 203271729 /nfs/dbraw/zinc/27/17/29/203271729.db2.gz GKAIYQTWZLGKJF-JHJVBQTASA-N 1 0 294.399 2.879 20 5 CFBDRO C[C@@H](CO)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276418192 193322705 /nfs/dbraw/zinc/32/27/05/193322705.db2.gz HZTHDPRFPGZLHV-LBPRGKRZSA-N 1 0 278.352 2.720 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000037154552 296148235 /nfs/dbraw/zinc/14/82/35/296148235.db2.gz GJWAJRROLRKQAP-NWDGAFQWSA-N 1 0 274.324 2.531 20 5 CFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000276902864 193494471 /nfs/dbraw/zinc/49/44/71/193494471.db2.gz DNEWZDYOSJZOTD-LSDHHAIUSA-N 1 0 294.351 2.521 20 5 CFBDRO CC[NH+]1C[C@H](C)N(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000459489214 245196203 /nfs/dbraw/zinc/19/62/03/245196203.db2.gz XJGULADOMMEZKI-QWRGUYRKSA-N 1 0 283.397 2.571 20 5 CFBDRO COCC1(C)C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459621904 245245909 /nfs/dbraw/zinc/24/59/09/245245909.db2.gz MKVYSOQPNIRUFD-QPEQYQDCSA-N 1 0 290.363 2.966 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000459764379 245311230 /nfs/dbraw/zinc/31/12/30/245311230.db2.gz OKGCCJWNQIUOKS-OUAUKWLOSA-N 1 0 252.339 2.935 20 5 CFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)nc2c1 ZINC000459769926 245315972 /nfs/dbraw/zinc/31/59/72/245315972.db2.gz GLHSFGFSFHPGKP-USWWRNFRSA-N 1 0 286.335 2.749 20 5 CFBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000461956039 245374470 /nfs/dbraw/zinc/37/44/70/245374470.db2.gz GNQYMFAUVXTJPU-YGRLFVJLSA-N 1 0 293.342 2.937 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000016442841 372106832 /nfs/dbraw/zinc/10/68/32/372106832.db2.gz JTTKIVJOKIUAPS-GFCCVEGCSA-N 1 0 291.351 2.798 20 5 CFBDRO CC[NH+](CC)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020090572 372228005 /nfs/dbraw/zinc/22/80/05/372228005.db2.gz FQNKSUZBRSPNJE-ZDUSSCGKSA-N 1 0 279.384 2.977 20 5 CFBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023991743 372269570 /nfs/dbraw/zinc/26/95/70/372269570.db2.gz WJTRQCNAYVHFJE-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO CC[C@@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036319316 372571505 /nfs/dbraw/zinc/57/15/05/372571505.db2.gz SLMZWMAIGOVMRY-CQSZACIVSA-N 1 0 264.325 2.815 20 5 CFBDRO CC[C@@H]([NH2+][C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000036721084 372586491 /nfs/dbraw/zinc/58/64/91/372586491.db2.gz VFJGRPZIKVKSJD-ZWNOBZJWSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000036721082 372586976 /nfs/dbraw/zinc/58/69/76/372586976.db2.gz VFJGRPZIKVKSJD-GXFFZTMASA-N 1 0 252.314 2.670 20 5 CFBDRO CC[NH+](CC)CCC[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000036749265 372588679 /nfs/dbraw/zinc/58/86/79/372588679.db2.gz CFEPNROMUFUHDW-NSHDSACASA-N 1 0 297.403 2.559 20 5 CFBDRO CCC[C@@H]([NH2+]CC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036781480 372591884 /nfs/dbraw/zinc/59/18/84/372591884.db2.gz GNCNTAHNRCPYCV-CQSZACIVSA-N 1 0 293.367 2.550 20 5 CFBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793917 372593337 /nfs/dbraw/zinc/59/33/37/372593337.db2.gz FAUAUPAOIKASHM-SMDDNHRTSA-N 1 0 293.367 2.502 20 5 CFBDRO CC[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037157501 372660415 /nfs/dbraw/zinc/66/04/15/372660415.db2.gz ZJXJEHPKNMFILA-SWLSCSKDSA-N 1 0 288.351 2.921 20 5 CFBDRO CC[C@H]([NH2+]CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037010517 372626595 /nfs/dbraw/zinc/62/65/95/372626595.db2.gz OEUXXGFGTODSIU-HNNXBMFYSA-N 1 0 277.368 2.731 20 5 CFBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037157523 372660566 /nfs/dbraw/zinc/66/05/66/372660566.db2.gz BYEMCPQUBZUOQT-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000037997555 372756572 /nfs/dbraw/zinc/75/65/72/372756572.db2.gz YADDUOQMAXSJAV-AWEZNQCLSA-N 1 0 291.395 2.806 20 5 CFBDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040775066 372786620 /nfs/dbraw/zinc/78/66/20/372786620.db2.gz MUTGOUYAHGPBKZ-AAEUAGOBSA-N 1 0 266.341 2.652 20 5 CFBDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814539 372957934 /nfs/dbraw/zinc/95/79/34/372957934.db2.gz NOQKXCYTTFNDBY-FZMZJTMJSA-N 1 0 264.325 2.815 20 5 CFBDRO CC(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049442737 373297416 /nfs/dbraw/zinc/29/74/16/373297416.db2.gz PCOPEIPQSOMJKZ-NSHDSACASA-N 1 0 279.340 2.510 20 5 CFBDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050182605 373362010 /nfs/dbraw/zinc/36/20/10/373362010.db2.gz SVDARDRXCPUQFT-LLVKDONJSA-N 1 0 288.351 2.910 20 5 CFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050372494 373372228 /nfs/dbraw/zinc/37/22/28/373372228.db2.gz WRLQTTTVBOYCPG-CHWSQXEVSA-N 1 0 284.743 2.905 20 5 CFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000051149553 373388957 /nfs/dbraw/zinc/38/89/57/373388957.db2.gz CWQPDUILJMBOMS-LLVKDONJSA-N 1 0 264.325 2.835 20 5 CFBDRO COCCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051455066 373396583 /nfs/dbraw/zinc/39/65/83/373396583.db2.gz CHUWOPFGUYFHGP-NSHDSACASA-N 1 0 252.314 2.624 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCCCCC2)c1 ZINC000052926338 373459228 /nfs/dbraw/zinc/45/92/28/373459228.db2.gz BRARLCPBMVKZCS-UHFFFAOYSA-N 1 0 278.352 2.770 20 5 CFBDRO Cc1ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000054128483 373499419 /nfs/dbraw/zinc/49/94/19/373499419.db2.gz VHAIGUQYMVFQHW-UHFFFAOYSA-N 1 0 251.330 2.655 20 5 CFBDRO Cc1ccc(-c2csc(CCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000054139540 373500357 /nfs/dbraw/zinc/50/03/57/373500357.db2.gz ZCANKJPJEAVFIK-UHFFFAOYSA-N 1 0 277.349 2.918 20 5 CFBDRO Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000063201260 373797035 /nfs/dbraw/zinc/79/70/35/373797035.db2.gz KVZOBFFYNRIOSS-OAHLLOKOSA-N 1 0 289.379 2.872 20 5 CFBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068449929 374029713 /nfs/dbraw/zinc/02/97/13/374029713.db2.gz RBXXKRUPEVEXMO-VIFPVBQESA-N 1 0 299.758 2.917 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000068451178 374030803 /nfs/dbraw/zinc/03/08/03/374030803.db2.gz MZAXNDZNIDCLTH-JTQLQIEISA-N 1 0 290.323 2.875 20 5 CFBDRO [NH3+]CC[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070149747 374129897 /nfs/dbraw/zinc/12/98/97/374129897.db2.gz WTLIZAWPWSJIAL-CYBMUJFWSA-N 1 0 297.786 2.952 20 5 CFBDRO CC[C@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072601538 374268847 /nfs/dbraw/zinc/26/88/47/374268847.db2.gz KCMUEFPINNAPAD-JTQLQIEISA-N 1 0 290.323 2.875 20 5 CFBDRO C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072876056 374297761 /nfs/dbraw/zinc/29/77/61/374297761.db2.gz OITSMSHJSNGUJV-JTQLQIEISA-N 1 0 288.307 2.629 20 5 CFBDRO COCC(C)(C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000491457975 246070164 /nfs/dbraw/zinc/07/01/64/246070164.db2.gz KWDGNIKECSSJPW-VURMDHGXSA-N 1 0 278.352 2.870 20 5 CFBDRO CCOC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072975529 374310345 /nfs/dbraw/zinc/31/03/45/374310345.db2.gz IHSNKFVWADXDHC-OAHLLOKOSA-N 1 0 292.379 2.886 20 5 CFBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000072744198 374281528 /nfs/dbraw/zinc/28/15/28/374281528.db2.gz MDUNDQGAGMRGCC-HNNXBMFYSA-N 1 0 278.352 2.890 20 5 CFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000076004724 374520460 /nfs/dbraw/zinc/52/04/60/374520460.db2.gz JSXYHDFFBXJATA-AWEZNQCLSA-N 1 0 291.395 2.759 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079735431 374628139 /nfs/dbraw/zinc/62/81/39/374628139.db2.gz BMIQOTVZIGUFCD-AAEUAGOBSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@H](COC)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000079735241 374628918 /nfs/dbraw/zinc/62/89/18/374628918.db2.gz PSYHSARKGMDQDE-GHMZBOCLSA-N 1 0 252.314 2.670 20 5 CFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081571647 374705566 /nfs/dbraw/zinc/70/55/66/374705566.db2.gz PMAIUZUCEPUJGG-HNNXBMFYSA-N 1 0 291.395 2.759 20 5 CFBDRO CC[C@@H]([NH2+]CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087016207 374808395 /nfs/dbraw/zinc/80/83/95/374808395.db2.gz ZJGALIZYKMFETI-CQSZACIVSA-N 1 0 278.352 2.941 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCOC1 ZINC000084440123 374775486 /nfs/dbraw/zinc/77/54/86/374775486.db2.gz URVKSVFXFYBTFA-NSHDSACASA-N 1 0 270.716 2.517 20 5 CFBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000090529871 375019821 /nfs/dbraw/zinc/01/98/21/375019821.db2.gz RNJKZTJRXFOWBK-JQWIXIFHSA-N 1 0 288.351 2.908 20 5 CFBDRO CCc1nn(C)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092371495 375103495 /nfs/dbraw/zinc/10/34/95/375103495.db2.gz YGDGGIIJVINTFP-NSHDSACASA-N 1 0 288.351 2.742 20 5 CFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097769 375187514 /nfs/dbraw/zinc/18/75/14/375187514.db2.gz MLUZRANANKINRF-JTQLQIEISA-N 1 0 294.742 2.623 20 5 CFBDRO CSCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093509426 375260218 /nfs/dbraw/zinc/26/02/18/375260218.db2.gz NPXOOAKFHPORBE-FNORWQNLSA-N 1 0 266.366 2.903 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCCO1 ZINC000094774501 375377604 /nfs/dbraw/zinc/37/76/04/375377604.db2.gz BAJODGFFAYFUBR-LBPRGKRZSA-N 1 0 282.315 2.735 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094797828 375380759 /nfs/dbraw/zinc/38/07/59/375380759.db2.gz QVJDJXLWEUNXCA-AWEZNQCLSA-N 1 0 264.325 2.562 20 5 CFBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000264208003 383709879 /nfs/dbraw/zinc/70/98/79/383709879.db2.gz LNTWQPKFXAJHRT-UHFFFAOYSA-N 1 0 281.331 2.512 20 5 CFBDRO CCC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112408610 375917652 /nfs/dbraw/zinc/91/76/52/375917652.db2.gz MYLNBTIFQXZVPJ-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO CC(C)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116272391 376176216 /nfs/dbraw/zinc/17/62/16/376176216.db2.gz PQZLQJDDXOFBGP-UHFFFAOYSA-N 1 0 297.786 2.774 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119642457 376446852 /nfs/dbraw/zinc/44/68/52/376446852.db2.gz BGYWUBWMFFKJAM-SGMGOOAPSA-N 1 0 278.352 2.979 20 5 CFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000119777904 376470992 /nfs/dbraw/zinc/47/09/92/376470992.db2.gz JECMDSRCHJNWBX-UMVBOHGHSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000119905946 376501963 /nfs/dbraw/zinc/50/19/63/376501963.db2.gz RQXHBKKLNDVJNO-CQSZACIVSA-N 1 0 296.342 2.981 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119857731 376490367 /nfs/dbraw/zinc/49/03/67/376490367.db2.gz LWJFJDXBOJCNPS-LBPRGKRZSA-N 1 0 286.759 2.745 20 5 CFBDRO C[C@@H]1C[C@H](N(C)c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000121738420 376896061 /nfs/dbraw/zinc/89/60/61/376896061.db2.gz PXXWBEJQFBSEAQ-NXEZZACHSA-N 1 0 299.321 2.792 20 5 CFBDRO CCC[C@@H]([NH2+]C[C@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000124434074 377049773 /nfs/dbraw/zinc/04/97/73/377049773.db2.gz JTCXQAOVUIPEGT-ZIAGYGMSSA-N 1 0 266.341 2.797 20 5 CFBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000125580537 377172483 /nfs/dbraw/zinc/17/24/83/377172483.db2.gz AXYPPLPHMFKANL-JTQLQIEISA-N 1 0 252.289 2.966 20 5 CFBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000128457468 377339911 /nfs/dbraw/zinc/33/99/11/377339911.db2.gz UUOOXOKALKKGOC-NXEZZACHSA-N 1 0 284.743 2.763 20 5 CFBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000129623668 377453148 /nfs/dbraw/zinc/45/31/48/377453148.db2.gz NNPGTHVTMJHBNU-GARJFASQSA-N 1 0 252.314 2.669 20 5 CFBDRO Cc1cc(NCC(C)(C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000130445660 377558670 /nfs/dbraw/zinc/55/86/70/377558670.db2.gz RCEXYIPIOFSLDN-UHFFFAOYSA-N 1 0 275.308 2.634 20 5 CFBDRO CC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130898538 377627033 /nfs/dbraw/zinc/62/70/33/377627033.db2.gz QYKCKGNPKRRXAD-UHFFFAOYSA-N 1 0 262.309 2.538 20 5 CFBDRO Cc1ccc(C[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000134414688 378011508 /nfs/dbraw/zinc/01/15/08/378011508.db2.gz FAZXUJGZQQENQV-UHFFFAOYSA-N 1 0 266.366 2.888 20 5 CFBDRO CCOc1cccc(NC[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000134902800 378060465 /nfs/dbraw/zinc/06/04/65/378060465.db2.gz PYKNNXCTXYNGGT-GFCCVEGCSA-N 1 0 293.367 2.890 20 5 CFBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135336911 378120618 /nfs/dbraw/zinc/12/06/18/378120618.db2.gz TVLKDGYZLFLEQT-STQMWFEESA-N 1 0 280.372 2.692 20 5 CFBDRO COC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135471177 378136483 /nfs/dbraw/zinc/13/64/83/378136483.db2.gz WDZXLZSQYYUBIL-SNVBAGLBSA-N 1 0 252.314 2.670 20 5 CFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000135277193 378108384 /nfs/dbraw/zinc/10/83/84/378108384.db2.gz YVLVTZRNCUXYJX-UHFFFAOYSA-N 1 0 264.325 2.706 20 5 CFBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000136297367 378194529 /nfs/dbraw/zinc/19/45/29/378194529.db2.gz UWXFBHZOYZRTGY-UHFFFAOYSA-N 1 0 288.351 2.622 20 5 CFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[NH+]1CCCCCC1 ZINC000148484684 378257356 /nfs/dbraw/zinc/25/73/56/378257356.db2.gz AVFGBDNXBJROPT-UHFFFAOYSA-N 1 0 298.774 2.931 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000148772917 378259722 /nfs/dbraw/zinc/25/97/22/378259722.db2.gz DRRPIZVQIRIZJH-OAHLLOKOSA-N 1 0 288.351 2.612 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000151193855 378305003 /nfs/dbraw/zinc/30/50/03/378305003.db2.gz CSCBEZVCAKNZIR-CHWSQXEVSA-N 1 0 280.368 2.961 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCSCCCO)cc1[N+](=O)[O-] ZINC000151201820 378306759 /nfs/dbraw/zinc/30/67/59/378306759.db2.gz LXIXSFCJBNSCGE-LBPRGKRZSA-N 1 0 298.408 2.669 20 5 CFBDRO CC[C@@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000151230395 378309531 /nfs/dbraw/zinc/30/95/31/378309531.db2.gz HCBURBCUMPRHCX-CQSZACIVSA-N 1 0 298.408 2.751 20 5 CFBDRO CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151229755 378309816 /nfs/dbraw/zinc/30/98/16/378309816.db2.gz GEPDUHZUQGHXIW-GHMZBOCLSA-N 1 0 292.257 2.559 20 5 CFBDRO C[C@H](CCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151898653 378371721 /nfs/dbraw/zinc/37/17/21/378371721.db2.gz JSJUGDXDQXEJME-IUODEOHRSA-N 1 0 292.379 2.524 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153971788 378527399 /nfs/dbraw/zinc/52/73/99/378527399.db2.gz FNNQXUORARWWQK-AWEZNQCLSA-N 1 0 296.754 2.861 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000330395692 378544912 /nfs/dbraw/zinc/54/49/12/378544912.db2.gz FGTKULXOFARTPH-ZYHUDNBSSA-N 1 0 291.351 2.620 20 5 CFBDRO CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000154526201 378576940 /nfs/dbraw/zinc/57/69/40/378576940.db2.gz NTRADRNHFYVGGM-DGCLKSJQSA-N 1 0 293.367 2.598 20 5 CFBDRO Cc1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000331122367 378637834 /nfs/dbraw/zinc/63/78/34/378637834.db2.gz XVSJWKXABQHDJI-AWEZNQCLSA-N 1 0 280.368 2.788 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332297606 378744322 /nfs/dbraw/zinc/74/43/22/378744322.db2.gz URWJKGTYWIZFGH-NWDGAFQWSA-N 1 0 264.325 2.624 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331568277 378709655 /nfs/dbraw/zinc/70/96/55/378709655.db2.gz UQXBWJIZEJBKJU-OLZOCXBDSA-N 1 0 289.379 2.791 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159520442 378714010 /nfs/dbraw/zinc/71/40/10/378714010.db2.gz WZFLAJOGDMMLNA-ZNMIVQPWSA-N 1 0 288.347 2.642 20 5 CFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045626 378720447 /nfs/dbraw/zinc/72/04/47/378720447.db2.gz LPABCJZBNQPZGV-GHMZBOCLSA-N 1 0 292.335 2.692 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC000159786203 378730578 /nfs/dbraw/zinc/73/05/78/378730578.db2.gz WJKDOGIHTFTAMD-TXEJJXNPSA-N 1 0 264.300 2.966 20 5 CFBDRO O=C1CCC(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332525232 378773094 /nfs/dbraw/zinc/77/30/94/378773094.db2.gz RQXISKYIUISYID-UHFFFAOYSA-N 1 0 288.347 2.712 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160754412 378796949 /nfs/dbraw/zinc/79/69/49/378796949.db2.gz WEQJSGLLYOPVIN-GDBMZVCRSA-N 1 0 290.363 2.722 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CCOC(C)C)cc1[N+](=O)[O-] ZINC000164132890 379008258 /nfs/dbraw/zinc/00/82/58/379008258.db2.gz AGVWUCOFIPBXRY-LBPRGKRZSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@@H](CSC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000163874026 378995304 /nfs/dbraw/zinc/99/53/04/378995304.db2.gz CESCLZKJRSVMEA-NSHDSACASA-N 1 0 284.381 2.835 20 5 CFBDRO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000165466073 379040200 /nfs/dbraw/zinc/04/02/00/379040200.db2.gz JHTXFLIFWSXRRR-SMDDNHRTSA-N 1 0 266.341 2.652 20 5 CFBDRO CC(C)OCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000168954363 379101102 /nfs/dbraw/zinc/10/11/02/379101102.db2.gz IUXVVHSQOABYPJ-UHFFFAOYSA-N 1 0 272.732 2.763 20 5 CFBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000171128565 379238927 /nfs/dbraw/zinc/23/89/27/379238927.db2.gz VFCTZBBNNWMMNX-GHMZBOCLSA-N 1 0 294.351 2.986 20 5 CFBDRO CC(C)[NH2+]C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000171692848 379375278 /nfs/dbraw/zinc/37/52/78/379375278.db2.gz VNMCRFYEHJDXHC-UHFFFAOYSA-N 1 0 283.397 2.619 20 5 CFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000171734418 379389609 /nfs/dbraw/zinc/38/96/09/379389609.db2.gz OXGKQNYXGBCBOS-LLVKDONJSA-N 1 0 294.351 2.805 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000171948822 379447309 /nfs/dbraw/zinc/44/73/09/379447309.db2.gz AAJXZSKHEKSKGY-NSHDSACASA-N 1 0 293.367 2.820 20 5 CFBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171949792 379448382 /nfs/dbraw/zinc/44/83/82/379448382.db2.gz JCBAEEVXBQPQHN-LBPRGKRZSA-N 1 0 293.367 2.901 20 5 CFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173410236 379735678 /nfs/dbraw/zinc/73/56/78/379735678.db2.gz RMIAAHLDSJYDAB-COPLHBTASA-N 1 0 266.341 2.652 20 5 CFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000173947684 379803705 /nfs/dbraw/zinc/80/37/05/379803705.db2.gz PUZZXOQBPNIEGM-OAHLLOKOSA-N 1 0 291.395 2.901 20 5 CFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000174809800 379944448 /nfs/dbraw/zinc/94/44/48/379944448.db2.gz FCMQTORTRLZIPI-JTQLQIEISA-N 1 0 294.742 2.796 20 5 CFBDRO C[C@@H]1COCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000432368936 383743689 /nfs/dbraw/zinc/74/36/89/383743689.db2.gz OUYUWCPOPQVKLL-UDGJJRABSA-N 1 0 276.336 2.623 20 5 CFBDRO CC[C@H](C)[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176231793 380199749 /nfs/dbraw/zinc/19/97/49/380199749.db2.gz NVMANCPEWMNFGP-NWDGAFQWSA-N 1 0 280.372 2.690 20 5 CFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000452112257 383745735 /nfs/dbraw/zinc/74/57/35/383745735.db2.gz FOYFYIKDKVSPKD-LBPRGKRZSA-N 1 0 295.358 2.648 20 5 CFBDRO Cc1c([C@@H](C)[NH2+]CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000178309487 380433745 /nfs/dbraw/zinc/43/37/45/380433745.db2.gz NKCNNUZXOYKIBF-CYBMUJFWSA-N 1 0 277.368 2.650 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3nccn32)cc1 ZINC000178491374 380455893 /nfs/dbraw/zinc/45/58/93/380455893.db2.gz BHJLMCXMCADNMR-UHFFFAOYSA-N 1 0 296.330 2.575 20 5 CFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178205768 380421332 /nfs/dbraw/zinc/42/13/32/380421332.db2.gz BZCVOYCRLYIDJR-MNOVXSKESA-N 1 0 279.340 2.558 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023832 380887824 /nfs/dbraw/zinc/88/78/24/380887824.db2.gz PVTVNJTYLXMCFL-MZBDJJRSSA-N 1 0 289.379 2.618 20 5 CFBDRO C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000347041555 380898888 /nfs/dbraw/zinc/89/88/88/380898888.db2.gz LCSSXNOJUQSBMM-DSGJPFBLSA-N 1 0 289.379 2.667 20 5 CFBDRO Nc1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000287827643 380949126 /nfs/dbraw/zinc/94/91/26/380949126.db2.gz QQKZFVSUUSMWRZ-CYBMUJFWSA-N 1 0 290.367 2.606 20 5 CFBDRO C[C@H](C[NH3+])N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347128406 380959170 /nfs/dbraw/zinc/95/91/70/380959170.db2.gz PHPLGLXKLPAHPC-LLVKDONJSA-N 1 0 289.335 2.634 20 5 CFBDRO CCCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000347165091 380980101 /nfs/dbraw/zinc/98/01/01/380980101.db2.gz JPFGBGCCRJMBPD-ZKKXHLJNSA-N 1 0 289.379 2.682 20 5 CFBDRO C[C@@H](C[NH+](C)C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295628372 380982822 /nfs/dbraw/zinc/98/28/22/380982822.db2.gz BSOURZMNDYNPHS-JTQLQIEISA-N 1 0 274.324 2.505 20 5 CFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCCCC2)c(F)c1 ZINC000341335190 380943861 /nfs/dbraw/zinc/94/38/61/380943861.db2.gz DCJLMWQGONAAJS-UHFFFAOYSA-N 1 0 282.315 2.989 20 5 CFBDRO C[N@@H+]1CC[C@H]2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]21 ZINC000368389738 381010519 /nfs/dbraw/zinc/01/05/19/381010519.db2.gz YLRBLHJQTJAJAK-GXFFZTMASA-N 1 0 295.770 2.779 20 5 CFBDRO CCCC[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1C ZINC000182153282 381003238 /nfs/dbraw/zinc/00/32/38/381003238.db2.gz DSISEYJWARRREK-UHFFFAOYSA-N 1 0 280.368 2.888 20 5 CFBDRO Cc1cc(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000358672456 381005678 /nfs/dbraw/zinc/00/56/78/381005678.db2.gz ZPSYMRVTQXQSTC-UHFFFAOYSA-N 1 0 277.368 2.825 20 5 CFBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000341554118 381084734 /nfs/dbraw/zinc/08/47/34/381084734.db2.gz GZXCRPARDMSALD-LLVKDONJSA-N 1 0 293.367 2.940 20 5 CFBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279335798 194389722 /nfs/dbraw/zinc/38/97/22/194389722.db2.gz PFYNQCLKXURFIT-WBMJQRKESA-N 1 0 290.363 2.637 20 5 CFBDRO COC1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000412020469 381092282 /nfs/dbraw/zinc/09/22/82/381092282.db2.gz KQPSCGALUQPRRN-NSHDSACASA-N 1 0 264.325 2.642 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1(O)CCC1 ZINC000347365442 381100313 /nfs/dbraw/zinc/10/03/13/381100313.db2.gz CYMGAVNLJOCMJL-LCYFTJDESA-N 1 0 290.363 2.845 20 5 CFBDRO Cc1ccc(C[N@H+]2CC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000368667511 381104291 /nfs/dbraw/zinc/10/42/91/381104291.db2.gz SBJAQSMTMMMGAE-INIZCTEOSA-N 1 0 292.379 2.744 20 5 CFBDRO CC[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000289690651 381104503 /nfs/dbraw/zinc/10/45/03/381104503.db2.gz ICDQAOTZNOIZPY-CQSZACIVSA-N 1 0 274.324 2.601 20 5 CFBDRO CO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347375975 381108964 /nfs/dbraw/zinc/10/89/64/381108964.db2.gz SPVDGYWFENMQRB-LDCOFTPGSA-N 1 0 276.336 2.719 20 5 CFBDRO CC[N@H+](CCOC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000347330210 381076221 /nfs/dbraw/zinc/07/62/21/381076221.db2.gz FJZQOJBXUAQTNO-GFCCVEGCSA-N 1 0 266.341 2.933 20 5 CFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279348903 194395998 /nfs/dbraw/zinc/39/59/98/194395998.db2.gz VJBOHKONCFULSH-RYUDHWBXSA-N 1 0 291.351 2.702 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000289746268 381134015 /nfs/dbraw/zinc/13/40/15/381134015.db2.gz WBRBWXJZUMMUQU-CQSZACIVSA-N 1 0 278.352 2.544 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCSCC(F)(F)F)c1 ZINC000354290621 381187491 /nfs/dbraw/zinc/18/74/91/381187491.db2.gz WRNGKMRDZCRTLL-UHFFFAOYSA-N 1 0 294.298 2.980 20 5 CFBDRO Nc1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000295994839 381202552 /nfs/dbraw/zinc/20/25/52/381202552.db2.gz MERWQWKRNDYLLD-UHFFFAOYSA-N 1 0 290.367 2.606 20 5 CFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000183061818 381205593 /nfs/dbraw/zinc/20/55/93/381205593.db2.gz NWFOOOJIWHWWQU-NWDGAFQWSA-N 1 0 266.341 2.998 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+](C)C)n1 ZINC000359083365 381254077 /nfs/dbraw/zinc/25/40/77/381254077.db2.gz OCSLFAYNWBVXMK-CYBMUJFWSA-N 1 0 294.399 2.995 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC000359084944 381255973 /nfs/dbraw/zinc/25/59/73/381255973.db2.gz RPBAYWYJUMOGJE-UHFFFAOYSA-N 1 0 280.372 2.606 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000359085854 381256676 /nfs/dbraw/zinc/25/66/76/381256676.db2.gz UGKNXQVSNBULQF-STQMWFEESA-N 1 0 290.367 2.645 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000359086607 381257444 /nfs/dbraw/zinc/25/74/44/381257444.db2.gz VXRFMZDNKOHADZ-OLZOCXBDSA-N 1 0 290.367 2.645 20 5 CFBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000347617266 381259783 /nfs/dbraw/zinc/25/97/83/381259783.db2.gz NSXBVTJJXBQJSJ-VXGBXAGGSA-N 1 0 294.399 2.975 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1=CCCOC1 ZINC000342274974 381240589 /nfs/dbraw/zinc/24/05/89/381240589.db2.gz IOGAVVXMVIRAJE-CLTKARDFSA-N 1 0 274.320 2.544 20 5 CFBDRO CC[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000289969767 381242001 /nfs/dbraw/zinc/24/20/01/381242001.db2.gz YUIPWRVVFLVAQG-CFNZNRNTSA-N 1 0 264.325 2.623 20 5 CFBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1 ZINC000347676240 381291843 /nfs/dbraw/zinc/29/18/43/381291843.db2.gz PRGXNDVSIUCULL-NEPJUHHUSA-N 1 0 288.351 2.610 20 5 CFBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000296191320 381295205 /nfs/dbraw/zinc/29/52/05/381295205.db2.gz YMNOUGDPNNPPBP-LLVKDONJSA-N 1 0 295.408 2.572 20 5 CFBDRO CC[N@H+]1C[C@@H](C)N(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000347702603 381304216 /nfs/dbraw/zinc/30/42/16/381304216.db2.gz JBCZGYDRTOWOCN-OKILXGFUSA-N 1 0 291.395 2.552 20 5 CFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183697062 381307442 /nfs/dbraw/zinc/30/74/42/381307442.db2.gz IPGMZQAOIOVUFI-GFCCVEGCSA-N 1 0 294.351 2.677 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000369676483 381312507 /nfs/dbraw/zinc/31/25/07/381312507.db2.gz PWTWKGMNGOZYLC-DZGCQCFKSA-N 1 0 276.336 2.514 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](CO)C1 ZINC000370071539 381378055 /nfs/dbraw/zinc/37/80/55/381378055.db2.gz TXHYFHOXIUZQRX-OLZOCXBDSA-N 1 0 278.352 2.750 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000369956417 381356906 /nfs/dbraw/zinc/35/69/06/381356906.db2.gz BOALOKYCCQYAQO-HNNXBMFYSA-N 1 0 290.363 2.843 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000296346832 381356977 /nfs/dbraw/zinc/35/69/77/381356977.db2.gz IBPVGOSEISHAJN-SCRDCRAPSA-N 1 0 278.352 2.715 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000370044961 381372156 /nfs/dbraw/zinc/37/21/56/381372156.db2.gz ITCGOYAZZOGWBH-CYBMUJFWSA-N 1 0 292.383 2.873 20 5 CFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000370071540 381377848 /nfs/dbraw/zinc/37/78/48/381377848.db2.gz TXHYFHOXIUZQRX-QWHCGFSZSA-N 1 0 278.352 2.750 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000296481601 381415766 /nfs/dbraw/zinc/41/57/66/381415766.db2.gz OFSOJFAUISSKJY-YPMHNXCESA-N 1 0 280.368 2.962 20 5 CFBDRO COc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000184234542 381389746 /nfs/dbraw/zinc/38/97/46/381389746.db2.gz BQWURBLLNQBKNW-QWRGUYRKSA-N 1 0 294.326 2.974 20 5 CFBDRO COc1ccc(C[N@H+](C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342611415 381434381 /nfs/dbraw/zinc/43/43/81/381434381.db2.gz XRAQFBAICXCGLV-ZDUSSCGKSA-N 1 0 294.351 2.604 20 5 CFBDRO Cc1ccc(C[N@@H+](C)C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000290484678 381449006 /nfs/dbraw/zinc/44/90/06/381449006.db2.gz OFMVEKZINAYEMO-UHFFFAOYSA-N 1 0 292.379 2.886 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000370663380 381484958 /nfs/dbraw/zinc/48/49/58/381484958.db2.gz UNCOYSRZYDWVBX-GWCFXTLKSA-N 1 0 286.335 2.526 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CCC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000296647609 381488911 /nfs/dbraw/zinc/48/89/11/381488911.db2.gz YQBCTLBWPXKCSZ-LBPRGKRZSA-N 1 0 280.368 2.962 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000296654788 381493560 /nfs/dbraw/zinc/49/35/60/381493560.db2.gz ZFQDTGIJSTXTDS-KPXOXKRLSA-N 1 0 288.294 2.650 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000290775675 381546558 /nfs/dbraw/zinc/54/65/58/381546558.db2.gz MOIKLXFNQSXMSD-LLVKDONJSA-N 1 0 280.372 2.709 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414331455 381579983 /nfs/dbraw/zinc/57/99/83/381579983.db2.gz FVOVLFUIEYPEAB-IPYPFGDCSA-N 1 0 292.379 2.667 20 5 CFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290978008 381616795 /nfs/dbraw/zinc/61/67/95/381616795.db2.gz PCGIYTMXCSUDRQ-SNVBAGLBSA-N 1 0 299.396 2.507 20 5 CFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000355120292 381625518 /nfs/dbraw/zinc/62/55/18/381625518.db2.gz YFTZUSBREIKNPS-HUUCEWRRSA-N 1 0 290.363 2.904 20 5 CFBDRO C[C@@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414941030 381631407 /nfs/dbraw/zinc/63/14/07/381631407.db2.gz HZMDLYKJPTYLPB-JTQLQIEISA-N 1 0 291.376 2.760 20 5 CFBDRO CO[C@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000291046465 381645443 /nfs/dbraw/zinc/64/54/43/381645443.db2.gz MCQWAJAEASSKHX-GFCCVEGCSA-N 1 0 270.354 2.561 20 5 CFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C1CCCCC1 ZINC000185503287 381651933 /nfs/dbraw/zinc/65/19/33/381651933.db2.gz UTPSZMZJIMSUTO-OLZOCXBDSA-N 1 0 294.399 2.986 20 5 CFBDRO CO[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000343440800 381712352 /nfs/dbraw/zinc/71/23/52/381712352.db2.gz JJEQBNOEEFYVQL-VWEWAFOGSA-N 1 0 290.363 2.965 20 5 CFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000298580299 381680046 /nfs/dbraw/zinc/68/00/46/381680046.db2.gz XQPVFAHYVHFMKJ-MRVWCRGKSA-N 1 0 296.392 2.593 20 5 CFBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415006163 381698756 /nfs/dbraw/zinc/69/87/56/381698756.db2.gz KAWWURKDIVWBTK-MNOVXSKESA-N 1 0 289.335 2.680 20 5 CFBDRO CC(C)c1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415005812 381698980 /nfs/dbraw/zinc/69/89/80/381698980.db2.gz JUSORARVNPLXOH-QWRGUYRKSA-N 1 0 265.357 2.544 20 5 CFBDRO COC(=O)CCCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000348896939 381758225 /nfs/dbraw/zinc/75/82/25/381758225.db2.gz VBXVWEUUWMBBFO-UHFFFAOYSA-N 1 0 294.351 2.726 20 5 CFBDRO CC1(C)[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000360034782 381742394 /nfs/dbraw/zinc/74/23/94/381742394.db2.gz FSLAMERPSSDFAP-RTXFEEFZSA-N 1 0 296.392 2.950 20 5 CFBDRO O=[N+]([O-])c1cccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056556 381742429 /nfs/dbraw/zinc/74/24/29/381742429.db2.gz SHCYEQQSUCIJNF-HOCLYGCPSA-N 1 0 289.379 2.559 20 5 CFBDRO C[C@@H]1[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000343481465 381743106 /nfs/dbraw/zinc/74/31/06/381743106.db2.gz SSBYRXVMDSLUSS-PELKAZGASA-N 1 0 285.294 2.768 20 5 CFBDRO CCC[C@H](C)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372271863 381782835 /nfs/dbraw/zinc/78/28/35/381782835.db2.gz DWYRRWRUIDXUAL-STQMWFEESA-N 1 0 280.372 2.864 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)c1 ZINC000372283804 381784844 /nfs/dbraw/zinc/78/48/44/381784844.db2.gz UZKSEPYPCJYPKZ-OLZOCXBDSA-N 1 0 276.340 2.537 20 5 CFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372337847 381793670 /nfs/dbraw/zinc/79/36/70/381793670.db2.gz GAWHELMVDYOODA-LLVKDONJSA-N 1 0 264.300 2.966 20 5 CFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000372155481 381764827 /nfs/dbraw/zinc/76/48/27/381764827.db2.gz KQVSQNNYOQUTKW-GJZGRUSLSA-N 1 0 276.336 2.503 20 5 CFBDRO COCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000185880342 381765656 /nfs/dbraw/zinc/76/56/56/381765656.db2.gz YGDGBFLIYFFSKI-UHFFFAOYSA-N 1 0 276.336 2.682 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000343591539 381821963 /nfs/dbraw/zinc/82/19/63/381821963.db2.gz ZFUJZQJNKWNLHR-CQSZACIVSA-N 1 0 286.335 2.569 20 5 CFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC ZINC000349249452 381865943 /nfs/dbraw/zinc/86/59/43/381865943.db2.gz VNATTWKLNHRFDM-LLVKDONJSA-N 1 0 284.381 2.702 20 5 CFBDRO Cc1nocc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000293133989 382001770 /nfs/dbraw/zinc/00/17/70/382001770.db2.gz CFXQMQKKZBLUFQ-SNVBAGLBSA-N 1 0 261.281 2.742 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000293148029 382007745 /nfs/dbraw/zinc/00/77/45/382007745.db2.gz USTLZCZHTSLBBT-SWLSCSKDSA-N 1 0 278.352 2.544 20 5 CFBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000293160070 382013469 /nfs/dbraw/zinc/01/34/69/382013469.db2.gz VNWYKPPEJABUBZ-QWRGUYRKSA-N 1 0 264.325 2.834 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CC2 ZINC000417345020 382048201 /nfs/dbraw/zinc/04/82/01/382048201.db2.gz XDGFOYHLORPPAU-YPMHNXCESA-N 1 0 260.337 2.916 20 5 CFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000299678615 382024528 /nfs/dbraw/zinc/02/45/28/382024528.db2.gz UUNOIRSAWUPSSP-NSHDSACASA-N 1 0 291.351 2.574 20 5 CFBDRO Cc1nccnc1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000293217499 382034818 /nfs/dbraw/zinc/03/48/18/382034818.db2.gz YPEDFVKBFIWCAO-GQCTYLIASA-N 1 0 298.346 2.539 20 5 CFBDRO C[C@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000362434850 382068384 /nfs/dbraw/zinc/06/83/84/382068384.db2.gz QBMYWVNZSXGVEY-RYUDHWBXSA-N 1 0 264.325 2.561 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H](C)CO ZINC000293396185 382107032 /nfs/dbraw/zinc/10/70/32/382107032.db2.gz LEQKUPHEYISVEA-LBPRGKRZSA-N 1 0 296.367 2.585 20 5 CFBDRO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000293317083 382076851 /nfs/dbraw/zinc/07/68/51/382076851.db2.gz XIFVQHPWZOUBLZ-OAHLLOKOSA-N 1 0 278.352 2.842 20 5 CFBDRO COc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351938521 382079625 /nfs/dbraw/zinc/07/96/25/382079625.db2.gz WLTOXWYLBCEFON-GHMZBOCLSA-N 1 0 296.392 2.929 20 5 CFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(C)C ZINC000357256781 382079933 /nfs/dbraw/zinc/07/99/33/382079933.db2.gz APQCAEYITSXTQQ-UHFFFAOYSA-N 1 0 293.367 2.940 20 5 CFBDRO COCC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293346588 382088441 /nfs/dbraw/zinc/08/84/41/382088441.db2.gz GTRIUQQKUXPNDU-NSHDSACASA-N 1 0 266.341 2.918 20 5 CFBDRO COCCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000301165498 382096321 /nfs/dbraw/zinc/09/63/21/382096321.db2.gz UMUVBUFVBUUSKZ-UHFFFAOYSA-N 1 0 293.367 2.508 20 5 CFBDRO CC(C)(CCCO)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000357360943 382133206 /nfs/dbraw/zinc/13/32/06/382133206.db2.gz XPJBWPSIHIQGPX-YVMONPNESA-N 1 0 292.379 2.996 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000301309771 382145817 /nfs/dbraw/zinc/14/58/17/382145817.db2.gz YBZIYIGWCDIPSA-ZDUSSCGKSA-N 1 0 292.383 2.975 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000301327720 382149535 /nfs/dbraw/zinc/14/95/35/382149535.db2.gz BZHKYFMVCLZRPD-ZDUSSCGKSA-N 1 0 277.368 2.681 20 5 CFBDRO COc1cc(NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301352125 382156162 /nfs/dbraw/zinc/15/61/62/382156162.db2.gz JBZCQYAJZWCPSJ-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]2[NH+](C)C)n1 ZINC000362678308 382196642 /nfs/dbraw/zinc/19/66/42/382196642.db2.gz AZIQHIXFVJEKJW-NWDGAFQWSA-N 1 0 278.356 2.501 20 5 CFBDRO CCC[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000293674951 382227897 /nfs/dbraw/zinc/22/78/97/382227897.db2.gz MRICHZGPQYLRKB-GFCCVEGCSA-N 1 0 282.340 2.508 20 5 CFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000357569534 382230518 /nfs/dbraw/zinc/23/05/18/382230518.db2.gz OWOKXZMLEHKPFY-NSHDSACASA-N 1 0 292.383 2.703 20 5 CFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@@H](CO)C1 ZINC000377236529 382239466 /nfs/dbraw/zinc/23/94/66/382239466.db2.gz FTTBRMCDXRBOIH-LHRNQBEKSA-N 1 0 290.363 2.702 20 5 CFBDRO Cc1cnc(OCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000187691618 382250243 /nfs/dbraw/zinc/25/02/43/382250243.db2.gz WBONCFJAURQURK-UHFFFAOYSA-N 1 0 279.340 2.553 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC000364061531 382256050 /nfs/dbraw/zinc/25/60/50/382256050.db2.gz CPILDRKZBGOFAO-UHFFFAOYSA-N 1 0 276.336 2.644 20 5 CFBDRO CCOC1CC(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000352363748 382290898 /nfs/dbraw/zinc/29/08/98/382290898.db2.gz UHNLIPNFJZHCFA-UHFFFAOYSA-N 1 0 292.379 2.884 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000364251552 382291047 /nfs/dbraw/zinc/29/10/47/382291047.db2.gz KJSUBCFNNTZSJY-ZDUSSCGKSA-N 1 0 292.383 2.731 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000357781220 382319732 /nfs/dbraw/zinc/31/97/32/382319732.db2.gz KOZYAPMZYGNORX-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000357802656 382330034 /nfs/dbraw/zinc/33/00/34/382330034.db2.gz KCKFAINYCFAXLU-LBPRGKRZSA-N 1 0 280.372 2.831 20 5 CFBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364274704 382295827 /nfs/dbraw/zinc/29/58/27/382295827.db2.gz UUQAUNAERBGHLF-CQSZACIVSA-N 1 0 278.352 2.843 20 5 CFBDRO COc1ccc(C[NH2+]C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000346485910 382382491 /nfs/dbraw/zinc/38/24/91/382382491.db2.gz KOECEDURUFCJGS-UHFFFAOYSA-N 1 0 294.351 2.651 20 5 CFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(N)c1 ZINC000420374544 382390411 /nfs/dbraw/zinc/39/04/11/382390411.db2.gz OAWFORPQRZUAEO-UHFFFAOYSA-N 1 0 285.347 2.852 20 5 CFBDRO CO[C@@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188114734 382348628 /nfs/dbraw/zinc/34/86/28/382348628.db2.gz ZUNGKXGGRCORDD-GUTXKFCHSA-N 1 0 292.379 2.931 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cccc1[N+](=O)[O-] ZINC000305206664 382433555 /nfs/dbraw/zinc/43/35/55/382433555.db2.gz YGGYHDCKKNMKEM-CQSZACIVSA-N 1 0 278.352 2.639 20 5 CFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000294149769 382435094 /nfs/dbraw/zinc/43/50/94/382435094.db2.gz HJOQWHSPVOZGBJ-RISCZKNCSA-N 1 0 266.341 2.746 20 5 CFBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000294151045 382436570 /nfs/dbraw/zinc/43/65/70/382436570.db2.gz QBFNUYBZZQHJIE-SMDDNHRTSA-N 1 0 286.335 2.629 20 5 CFBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352659570 382437105 /nfs/dbraw/zinc/43/71/05/382437105.db2.gz OALJUEYTPUGROS-YPMHNXCESA-N 1 0 284.743 2.593 20 5 CFBDRO CCOc1cc(N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420637464 382437786 /nfs/dbraw/zinc/43/77/86/382437786.db2.gz OPLVEVWJGMNYEI-CYBMUJFWSA-N 1 0 293.367 2.524 20 5 CFBDRO CC[N@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000305737008 382443157 /nfs/dbraw/zinc/44/31/57/382443157.db2.gz UHXPIXJNNREXIV-UHFFFAOYSA-N 1 0 266.341 2.532 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000378131553 382404177 /nfs/dbraw/zinc/40/41/77/382404177.db2.gz PNMNOPDMGXJCLV-MRXNPFEDSA-N 1 0 292.379 2.744 20 5 CFBDRO Cc1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000346814996 382525850 /nfs/dbraw/zinc/52/58/50/382525850.db2.gz AFUCHULEBVJGND-UHFFFAOYSA-N 1 0 275.308 2.532 20 5 CFBDRO Cc1c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000366649740 382538767 /nfs/dbraw/zinc/53/87/67/382538767.db2.gz DAIWJSRCJYKJBB-LSDHHAIUSA-N 1 0 290.363 2.762 20 5 CFBDRO Cc1c([C@H](C)[NH2+]CC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000346868994 382551561 /nfs/dbraw/zinc/55/15/61/382551561.db2.gz JTAFBNSCYRRVQD-STQMWFEESA-N 1 0 278.352 2.980 20 5 CFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000294962820 382554393 /nfs/dbraw/zinc/55/43/93/382554393.db2.gz JKKGZQVIOGKWJQ-GWCFXTLKSA-N 1 0 266.341 2.795 20 5 CFBDRO CSCC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358319820 382565378 /nfs/dbraw/zinc/56/53/78/382565378.db2.gz PDOICKVYMVFMPJ-VXGBXAGGSA-N 1 0 298.408 2.668 20 5 CFBDRO CSCC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358319818 382566107 /nfs/dbraw/zinc/56/61/07/382566107.db2.gz PDOICKVYMVFMPJ-NWDGAFQWSA-N 1 0 298.408 2.668 20 5 CFBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358324131 382568639 /nfs/dbraw/zinc/56/86/39/382568639.db2.gz WISMTBCQGXVXRY-AAEUAGOBSA-N 1 0 298.408 2.668 20 5 CFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000385604413 382572503 /nfs/dbraw/zinc/57/25/03/382572503.db2.gz FDJJCQNPULYXKA-OUJBWJOFSA-N 1 0 264.325 2.738 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000385610421 382572581 /nfs/dbraw/zinc/57/25/81/382572581.db2.gz GLSPPCFEEZLWBY-GYSYKLTISA-N 1 0 264.325 2.608 20 5 CFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC2(C1)CCCCCC2 ZINC000366648289 382537934 /nfs/dbraw/zinc/53/79/34/382537934.db2.gz ZTLNXJYJBGNPNZ-UHFFFAOYSA-N 1 0 292.383 2.875 20 5 CFBDRO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000189350650 382596701 /nfs/dbraw/zinc/59/67/01/382596701.db2.gz VUMGHFMAASKFAK-XHDPSFHLSA-N 1 0 278.352 2.760 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000353743223 382622578 /nfs/dbraw/zinc/62/25/78/382622578.db2.gz BPOFHFOQXUYDQP-UKRRQHHQSA-N 1 0 291.395 2.899 20 5 CFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000353755931 382627497 /nfs/dbraw/zinc/62/74/97/382627497.db2.gz TUSBMWHUSFRPDJ-WCQYABFASA-N 1 0 297.424 2.961 20 5 CFBDRO Cc1c(C[N@H+](CC(C)(C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000189903973 382644431 /nfs/dbraw/zinc/64/44/31/382644431.db2.gz PLSCFFNYDUPYSQ-UHFFFAOYSA-N 1 0 278.352 2.639 20 5 CFBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])cn1 ZINC000190966123 382686965 /nfs/dbraw/zinc/68/69/65/382686965.db2.gz BKWZUDLCXZRBQA-UHFFFAOYSA-N 1 0 280.372 2.548 20 5 CFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000190286615 382660699 /nfs/dbraw/zinc/66/06/99/382660699.db2.gz DONKBJNZHKGSPR-UHFFFAOYSA-N 1 0 265.357 2.681 20 5 CFBDRO CCN(CCC[NH+](C)C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000190289447 382660745 /nfs/dbraw/zinc/66/07/45/382660745.db2.gz KYZGGCLZNWNXGT-UHFFFAOYSA-N 1 0 293.367 2.575 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190333522 382662606 /nfs/dbraw/zinc/66/26/06/382662606.db2.gz BEPZSHVMAYXBRW-KFWWJZLASA-N 1 0 276.336 2.560 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000189713355 382636898 /nfs/dbraw/zinc/63/68/98/382636898.db2.gz AGWJCPBQXABSSJ-GFCCVEGCSA-N 1 0 294.351 2.651 20 5 CFBDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721427 382711455 /nfs/dbraw/zinc/71/14/55/382711455.db2.gz NWFWZCSIWGNAEA-CZUORRHYSA-N 1 0 292.379 2.969 20 5 CFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193429591 382719759 /nfs/dbraw/zinc/71/97/59/382719759.db2.gz ZWXYMJNYDSDBMJ-ZDUSSCGKSA-N 1 0 292.383 2.853 20 5 CFBDRO CN(CC[NH+]1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000193469064 382720076 /nfs/dbraw/zinc/72/00/76/382720076.db2.gz QOTXRWFVMLICLD-UHFFFAOYSA-N 1 0 277.368 2.513 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(SC)CC1 ZINC000193653654 382722007 /nfs/dbraw/zinc/72/20/07/382722007.db2.gz ASGQIRLUEMCMKI-UHFFFAOYSA-N 1 0 296.392 2.979 20 5 CFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000193646534 382722048 /nfs/dbraw/zinc/72/20/48/382722048.db2.gz ALGURDPFWHVAFV-UHFFFAOYSA-N 1 0 279.296 2.877 20 5 CFBDRO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000193895872 382728800 /nfs/dbraw/zinc/72/88/00/382728800.db2.gz CEQQGMSZCQMOGO-LLVKDONJSA-N 1 0 299.330 2.545 20 5 CFBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000337263100 382788789 /nfs/dbraw/zinc/78/87/89/382788789.db2.gz ZLVLDWVTLGJNIA-UHFFFAOYSA-N 1 0 291.351 2.798 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOCC1CC1 ZINC000218989386 382791522 /nfs/dbraw/zinc/79/15/22/382791522.db2.gz GBANTMCCJSNILT-UHFFFAOYSA-N 1 0 284.743 2.764 20 5 CFBDRO CC(C)OCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000228565639 382847972 /nfs/dbraw/zinc/84/79/72/382847972.db2.gz OURJMANGHQXJQW-UHFFFAOYSA-N 1 0 272.370 2.951 20 5 CFBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000220626880 382796698 /nfs/dbraw/zinc/79/66/98/382796698.db2.gz CTAXMTXWWVWICE-SKDRFNHKSA-N 1 0 252.339 2.578 20 5 CFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000222470206 382802045 /nfs/dbraw/zinc/80/20/45/382802045.db2.gz VZXGWMZQJKLSRD-VHSXEESVSA-N 1 0 260.297 2.730 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC1(C)C ZINC000576289507 382817792 /nfs/dbraw/zinc/81/77/92/382817792.db2.gz GYKFNRLOMBHSMA-LBPRGKRZSA-N 1 0 291.351 2.620 20 5 CFBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576655707 382831119 /nfs/dbraw/zinc/83/11/19/382831119.db2.gz AWQKKPCBSBYRDQ-NSHDSACASA-N 1 0 274.324 2.786 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577209224 382851849 /nfs/dbraw/zinc/85/18/49/382851849.db2.gz AJKYSEYVVQLEGX-MELADBBJSA-N 1 0 289.379 2.791 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCOCC1 ZINC000577231471 382852531 /nfs/dbraw/zinc/85/25/31/382852531.db2.gz LJVRQAHPNNENDO-FZMZJTMJSA-N 1 0 276.336 2.741 20 5 CFBDRO C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000230142696 382855961 /nfs/dbraw/zinc/85/59/61/382855961.db2.gz STRXPERSXJVHOJ-SNVBAGLBSA-N 1 0 297.786 2.821 20 5 CFBDRO COc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000230223990 382857896 /nfs/dbraw/zinc/85/78/96/382857896.db2.gz IQDWXYFDFMTLPS-NSHDSACASA-N 1 0 294.351 2.508 20 5 CFBDRO CC(C)(CF)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577529558 382862549 /nfs/dbraw/zinc/86/25/49/382862549.db2.gz VFIOUZOWNSSZFI-NSHDSACASA-N 1 0 252.289 2.920 20 5 CFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230891860 382863385 /nfs/dbraw/zinc/86/33/85/382863385.db2.gz FBOJEAABVUFUDP-SNVBAGLBSA-N 1 0 272.370 2.543 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884221 382867355 /nfs/dbraw/zinc/86/73/55/382867355.db2.gz AXNWHPCFQSVUSA-BXUZGUMPSA-N 1 0 289.379 2.618 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000231884226 382867425 /nfs/dbraw/zinc/86/74/25/382867425.db2.gz AXNWHPCFQSVUSA-SMDDNHRTSA-N 1 0 289.379 2.618 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000231884456 382867696 /nfs/dbraw/zinc/86/76/96/382867696.db2.gz LBXVMHQOYISLIQ-LBPRGKRZSA-N 1 0 288.351 2.970 20 5 CFBDRO CCn1cccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000578113162 382891819 /nfs/dbraw/zinc/89/18/19/382891819.db2.gz CVPHWEVTZCARIT-UHFFFAOYSA-N 1 0 289.335 2.585 20 5 CFBDRO COc1cccc([N+](=O)[O-])c1NCC[NH+]1CCCCC1 ZINC000578522390 382929014 /nfs/dbraw/zinc/92/90/14/382929014.db2.gz KCNNNJJKGPRILY-UHFFFAOYSA-N 1 0 279.340 2.501 20 5 CFBDRO CC(C)CC[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000578980118 382971692 /nfs/dbraw/zinc/97/16/92/382971692.db2.gz VKEHUVZJAORUBW-OAHLLOKOSA-N 1 0 280.368 2.524 20 5 CFBDRO C[C@H]([NH2+]Cc1ncccc1O)c1cccc([N+](=O)[O-])c1 ZINC000579221007 382992534 /nfs/dbraw/zinc/99/25/34/382992534.db2.gz VZVDUDBHXIEJOE-JTQLQIEISA-N 1 0 273.292 2.546 20 5 CFBDRO CC[NH+](CC)CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000549136687 383000126 /nfs/dbraw/zinc/00/01/26/383000126.db2.gz ZZUUJGNBLOEUIT-UHFFFAOYSA-N 1 0 291.395 2.685 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](C)CCO ZINC000579317650 383002723 /nfs/dbraw/zinc/00/27/23/383002723.db2.gz MBMGMSSMAKPZHG-WCQYABFASA-N 1 0 280.368 2.962 20 5 CFBDRO [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000423017758 383014314 /nfs/dbraw/zinc/01/43/14/383014314.db2.gz XAVCHFYMDYZJRM-IAGOWNOFSA-N 1 0 297.358 2.872 20 5 CFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000495191632 382968513 /nfs/dbraw/zinc/96/85/13/382968513.db2.gz HKYAYVOYJZKMHB-GXFFZTMASA-N 1 0 284.381 2.639 20 5 CFBDRO CC[C@@]1(O)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000495211756 382971315 /nfs/dbraw/zinc/97/13/15/382971315.db2.gz OYPFLYCQUKMKHQ-CYBMUJFWSA-N 1 0 284.743 2.595 20 5 CFBDRO Cc1c([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423378144 383072440 /nfs/dbraw/zinc/07/24/40/383072440.db2.gz ZGHFEHMEHZUSOW-VHRBIJSZSA-N 1 0 277.368 2.552 20 5 CFBDRO Cc1c([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000423383266 383076677 /nfs/dbraw/zinc/07/66/77/383076677.db2.gz PLIMCSVQNRXDFF-DRZSPHRISA-N 1 0 277.368 2.694 20 5 CFBDRO CC[NH+](CC)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000339021988 383123549 /nfs/dbraw/zinc/12/35/49/383123549.db2.gz QCTWVRGIFCOJTL-UHFFFAOYSA-N 1 0 292.383 2.548 20 5 CFBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000247145920 383147065 /nfs/dbraw/zinc/14/70/65/383147065.db2.gz WQLGFISXHFGVSD-QWHCGFSZSA-N 1 0 279.384 2.976 20 5 CFBDRO CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000338907587 383081950 /nfs/dbraw/zinc/08/19/50/383081950.db2.gz ZMMUTDYZTHNFBR-UHFFFAOYSA-N 1 0 252.314 2.778 20 5 CFBDRO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246812981 383107309 /nfs/dbraw/zinc/10/73/09/383107309.db2.gz ARXMLUBFGDQHPT-DVOMOZLQSA-N 1 0 291.395 2.974 20 5 CFBDRO COCC[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110363 383179646 /nfs/dbraw/zinc/17/96/46/383179646.db2.gz CKDBRABJDOBSPQ-NWDGAFQWSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000339459197 383204507 /nfs/dbraw/zinc/20/45/07/383204507.db2.gz KKWPKPXVIRUMCN-SNVBAGLBSA-N 1 0 273.292 2.546 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339585913 383254820 /nfs/dbraw/zinc/25/48/20/383254820.db2.gz CVFAUUAIGLPLKB-QWHCGFSZSA-N 1 0 252.289 2.883 20 5 CFBDRO CC[NH2+]CCCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000567259684 383256601 /nfs/dbraw/zinc/25/66/01/383256601.db2.gz QXUHWSUJHYMHBH-GFCCVEGCSA-N 1 0 295.383 2.644 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCOCC1 ZINC000449403856 383268735 /nfs/dbraw/zinc/26/87/35/383268735.db2.gz RQSKIUJXRYRBSQ-ZDUSSCGKSA-N 1 0 290.363 2.852 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000449417006 383277610 /nfs/dbraw/zinc/27/76/10/383277610.db2.gz WHPKQUXRTVURDH-FZMZJTMJSA-N 1 0 278.352 2.683 20 5 CFBDRO C[C@@H](F)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000339498154 383217269 /nfs/dbraw/zinc/21/72/69/383217269.db2.gz XXZXRKDWPVRHHL-DUMNWFOQSA-N 1 0 252.289 2.946 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339508098 383222887 /nfs/dbraw/zinc/22/28/87/383222887.db2.gz ROCKPEYPWUFDSX-UHFFFAOYSA-N 1 0 298.346 2.595 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248324957 383223153 /nfs/dbraw/zinc/22/31/53/383223153.db2.gz AXYHNWNQLATRFZ-ZYHUDNBSSA-N 1 0 291.351 2.572 20 5 CFBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492088 383330843 /nfs/dbraw/zinc/33/08/43/383330843.db2.gz BFCLWBCHFMXSDO-IUODEOHRSA-N 1 0 278.352 2.760 20 5 CFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000449504619 383341453 /nfs/dbraw/zinc/34/14/53/383341453.db2.gz QUCSNAMZISBGAC-IAQYHMDHSA-N 1 0 296.342 2.981 20 5 CFBDRO COc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449431094 383290357 /nfs/dbraw/zinc/29/03/57/383290357.db2.gz ZMZVNHTVLHMGPJ-GFCCVEGCSA-N 1 0 262.309 2.588 20 5 CFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CC1 ZINC000449446870 383298400 /nfs/dbraw/zinc/29/84/00/383298400.db2.gz VAVRTOXQILTKRH-MNOVXSKESA-N 1 0 291.351 2.700 20 5 CFBDRO C[C@H](CC(C)(C)O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449447965 383299465 /nfs/dbraw/zinc/29/94/65/383299465.db2.gz CWOLZAONAIUYCR-XYLWRLHESA-N 1 0 278.352 2.747 20 5 CFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567725132 383306876 /nfs/dbraw/zinc/30/68/76/383306876.db2.gz WAOYBJASBUWJFX-NSHDSACASA-N 1 0 297.786 2.774 20 5 CFBDRO CC[C@@](C)(C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449479757 383320647 /nfs/dbraw/zinc/32/06/47/383320647.db2.gz WCYVZRJKVRPFJF-WFASDCNBSA-N 1 0 280.368 2.931 20 5 CFBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249051548 383321345 /nfs/dbraw/zinc/32/13/45/383321345.db2.gz OFYLWURMIIKYJP-SCDSUCTJSA-N 1 0 264.325 2.813 20 5 CFBDRO CC(C)=CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000479277616 383401790 /nfs/dbraw/zinc/40/17/90/383401790.db2.gz ZQWAWJAYDIQBCB-LBPRGKRZSA-N 1 0 291.351 2.868 20 5 CFBDRO CO[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1C ZINC000251988158 383402000 /nfs/dbraw/zinc/40/20/00/383402000.db2.gz VUMGHFMAASKFAK-NHYWBVRUSA-N 1 0 278.352 2.760 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000468637265 383361667 /nfs/dbraw/zinc/36/16/67/383361667.db2.gz FKFVNNUZLLJQTB-IZNWKUDASA-N 1 0 288.347 2.908 20 5 CFBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000524619684 383376543 /nfs/dbraw/zinc/37/65/43/383376543.db2.gz DCWGEOYAMKSWQB-NWDGAFQWSA-N 1 0 264.325 2.704 20 5 CFBDRO Cc1c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000250882373 383382365 /nfs/dbraw/zinc/38/23/65/383382365.db2.gz CBWVAYOWGNJQNL-CABCVRRESA-N 1 0 289.379 2.620 20 5 CFBDRO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000252674152 383426103 /nfs/dbraw/zinc/42/61/03/383426103.db2.gz PIUJFWSRZSJOKF-CABCVRRESA-N 1 0 289.379 2.620 20 5 CFBDRO COC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255389690 383481090 /nfs/dbraw/zinc/48/10/90/383481090.db2.gz DUDZVICRIQAUST-BMWLXYDHSA-N 1 0 290.363 2.966 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000483437275 383448782 /nfs/dbraw/zinc/44/87/82/383448782.db2.gz FWCQJPQFRUHSOI-OZOQIHSDSA-N 1 0 290.363 2.558 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000450827707 383508041 /nfs/dbraw/zinc/50/80/41/383508041.db2.gz KWIPIFQXWHHZMW-YHWZYXNKSA-N 1 0 290.367 2.644 20 5 CFBDRO CCn1ccnc1[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000450828479 383508260 /nfs/dbraw/zinc/50/82/60/383508260.db2.gz KOTVCEQDGRVQAV-NSHDSACASA-N 1 0 289.339 2.996 20 5 CFBDRO CC[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000570283982 383591006 /nfs/dbraw/zinc/59/10/06/383591006.db2.gz XWSZPNFEIXSVPV-CABCVRRESA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ncccc1[N+](=O)[O-] ZINC000341095488 383563696 /nfs/dbraw/zinc/56/36/96/383563696.db2.gz GMHUEQUGLYIZTA-VXGBXAGGSA-N 1 0 278.356 2.665 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC2(C)C)n1 ZINC000450953522 383565852 /nfs/dbraw/zinc/56/58/52/383565852.db2.gz YSZFRICVQPSZKF-UHFFFAOYSA-N 1 0 278.356 2.585 20 5 CFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000570844812 383641556 /nfs/dbraw/zinc/64/15/56/383641556.db2.gz COSSYPXFXMTNBP-HIFRSBDPSA-N 1 0 276.336 2.514 20 5 CFBDRO C[C@@H](O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548471 383642417 /nfs/dbraw/zinc/64/24/17/383642417.db2.gz NMMRYFZUOBHWOP-OCCSQVGLSA-N 1 0 278.352 2.545 20 5 CFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCCO)C2)cc1 ZINC000451550799 383643476 /nfs/dbraw/zinc/64/34/76/383643476.db2.gz RYROWXCBEBJEHV-AWEZNQCLSA-N 1 0 278.352 2.547 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000451512442 383632716 /nfs/dbraw/zinc/63/27/16/383632716.db2.gz XPJYFSBVDWNQMQ-ZIAGYGMSSA-N 1 0 294.351 2.507 20 5 CFBDRO CCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)COC1 ZINC000570791839 383634658 /nfs/dbraw/zinc/63/46/58/383634658.db2.gz BWUYLYRCSDJVBZ-LBPRGKRZSA-N 1 0 278.352 2.980 20 5 CFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000572126268 383756641 /nfs/dbraw/zinc/75/66/41/383756641.db2.gz UEEMCRFLUBUMJP-LLVKDONJSA-N 1 0 296.346 2.663 20 5 CFBDRO Cc1c(C[NH2+]C[C@H](O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000572834975 383824078 /nfs/dbraw/zinc/82/40/78/383824078.db2.gz KAYVXZVJDIBLHU-INIZCTEOSA-N 1 0 292.379 2.934 20 5 CFBDRO CCC[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000264863349 383792513 /nfs/dbraw/zinc/79/25/13/383792513.db2.gz PMEWTKNDOHNSOI-PMGBHYCQSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H](CCCCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572975237 383851134 /nfs/dbraw/zinc/85/11/34/383851134.db2.gz PWTGTARQGSWTOB-FZMZJTMJSA-N 1 0 278.352 2.723 20 5 CFBDRO C[C@H](CC[NH+](C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984323 383853943 /nfs/dbraw/zinc/85/39/43/383853943.db2.gz AACBSSRXJKMNJC-RISCZKNCSA-N 1 0 277.368 2.512 20 5 CFBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000453578714 383855735 /nfs/dbraw/zinc/85/57/35/383855735.db2.gz JJDFUHKAVJVWBY-CYBMUJFWSA-N 1 0 278.352 2.890 20 5 CFBDRO CC1(C)C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000453585006 383859377 /nfs/dbraw/zinc/85/93/77/383859377.db2.gz RTGVIFKRKIFQNP-JTQLQIEISA-N 1 0 284.381 2.951 20 5 CFBDRO COc1ccc(OCC[N@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000173727448 533014918 /nfs/dbraw/zinc/01/49/18/533014918.db2.gz UOWSWFHQKOJLGV-UHFFFAOYSA-N 1 0 294.351 2.714 20 5 CFBDRO CC(C)n1nccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000281045286 195081259 /nfs/dbraw/zinc/08/12/59/195081259.db2.gz ZTRDUXHVRZSBAS-UHFFFAOYSA-N 1 0 288.351 2.705 20 5 CFBDRO COC1([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000412021560 533017867 /nfs/dbraw/zinc/01/78/67/533017867.db2.gz MSTXZHVGHHDAJW-GFCCVEGCSA-N 1 0 294.351 2.521 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453630720 383893898 /nfs/dbraw/zinc/89/38/98/383893898.db2.gz MMIWHIASHJNWNG-SMDDNHRTSA-N 1 0 294.351 2.651 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000532239408 383998696 /nfs/dbraw/zinc/99/86/96/383998696.db2.gz LJZJMSFHXUSAJS-GXTWGEPZSA-N 1 0 291.395 2.896 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000531962928 383948023 /nfs/dbraw/zinc/94/80/23/383948023.db2.gz JJFFEGVGUAQAIC-CHWSQXEVSA-N 1 0 279.384 2.894 20 5 CFBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265600338 383955315 /nfs/dbraw/zinc/95/53/15/383955315.db2.gz ZMUPNIRXVNOPRN-JTQLQIEISA-N 1 0 298.774 2.787 20 5 CFBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000265877611 384021806 /nfs/dbraw/zinc/02/18/06/384021806.db2.gz NQTBADHOHUSYKA-AWEZNQCLSA-N 1 0 292.360 2.654 20 5 CFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C2CCC1CC2 ZINC000532466918 384033447 /nfs/dbraw/zinc/03/34/47/384033447.db2.gz UZOBBPNGITWGLY-QFWMXSHPSA-N 1 0 289.335 2.549 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000574284665 384072407 /nfs/dbraw/zinc/07/24/07/384072407.db2.gz GXZITHAFGHJKOE-DZGCQCFKSA-N 1 0 288.347 2.596 20 5 CFBDRO COc1cc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000266178216 384106239 /nfs/dbraw/zinc/10/62/39/384106239.db2.gz UGDLRUACTYQGCB-UHFFFAOYSA-N 1 0 291.351 2.642 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCC2)CC1 ZINC000266522458 384191910 /nfs/dbraw/zinc/19/19/10/384191910.db2.gz JEFVUDIAYCORHP-CYBMUJFWSA-N 1 0 289.379 2.826 20 5 CFBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000266745414 384231442 /nfs/dbraw/zinc/23/14/42/384231442.db2.gz ATSVECNSDFRUDV-FZMZJTMJSA-N 1 0 266.341 2.916 20 5 CFBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000266746847 384231560 /nfs/dbraw/zinc/23/15/60/384231560.db2.gz BGMICIATTZVBKI-WOPDTQHZSA-N 1 0 266.341 2.652 20 5 CFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCc2c[nH+]ccc21 ZINC000175004209 285096596 /nfs/dbraw/zinc/09/65/96/285096596.db2.gz QWJJVDZNTZDPMB-UHFFFAOYSA-N 1 0 259.240 2.823 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(CCO)CCCC1 ZINC000266634319 384211526 /nfs/dbraw/zinc/21/15/26/384211526.db2.gz QYMZWYIJAIJMLX-UHFFFAOYSA-N 1 0 278.352 2.627 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000266653043 384216790 /nfs/dbraw/zinc/21/67/90/384216790.db2.gz JWORVYXDNDVEKQ-LBPRGKRZSA-N 1 0 293.367 2.818 20 5 CFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277341838 384272835 /nfs/dbraw/zinc/27/28/35/384272835.db2.gz FLTBRURNUAISSN-JOYOIKCWSA-N 1 0 284.743 2.763 20 5 CFBDRO Cc1ccnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277483811 384316562 /nfs/dbraw/zinc/31/65/62/384316562.db2.gz RFLSCCILZDREMW-ZDUSSCGKSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267032575 384281708 /nfs/dbraw/zinc/28/17/08/384281708.db2.gz BNDCKHKYYSTRLG-CYBMUJFWSA-N 1 0 288.351 2.527 20 5 CFBDRO C[NH+](C)[C@]1(CNc2cccc(F)c2[N+](=O)[O-])CCSC1 ZINC000267045302 384285819 /nfs/dbraw/zinc/28/58/19/384285819.db2.gz DHPMNZGSCOBTRV-ZDUSSCGKSA-N 1 0 299.371 2.583 20 5 CFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000355141881 285112939 /nfs/dbraw/zinc/11/29/39/285112939.db2.gz YSRRSTIFYQPXCK-ZFWWWQNUSA-N 1 0 276.336 2.596 20 5 CFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267799756 384467042 /nfs/dbraw/zinc/46/70/42/384467042.db2.gz KOKJWHUSPCHPNG-GRYCIOLGSA-N 1 0 291.351 2.510 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000289411884 197334538 /nfs/dbraw/zinc/33/45/38/197334538.db2.gz HYDWFSZKLVJACP-INIZCTEOSA-N 1 0 286.331 2.808 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000092299705 285115172 /nfs/dbraw/zinc/11/51/72/285115172.db2.gz YRLLPRBRYGNBNA-CYBMUJFWSA-N 1 0 284.315 2.861 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1 ZINC000225990701 285115197 /nfs/dbraw/zinc/11/51/97/285115197.db2.gz VYOYHKZYOQRKCQ-MRXNPFEDSA-N 1 0 284.315 2.956 20 5 CFBDRO CC[N@H+](CCO)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000268012186 384509704 /nfs/dbraw/zinc/50/97/04/384509704.db2.gz PSTAHUQSBCHZMN-UHFFFAOYSA-N 1 0 297.354 2.760 20 5 CFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000301122839 285123440 /nfs/dbraw/zinc/12/34/40/285123440.db2.gz XVVXWKZAPCGESM-OAHLLOKOSA-N 1 0 275.352 2.659 20 5 CFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCSC1 ZINC000278464853 384584803 /nfs/dbraw/zinc/58/48/03/384584803.db2.gz POVJHOIDCONWHR-LLVKDONJSA-N 1 0 266.366 2.780 20 5 CFBDRO COCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110362 285131855 /nfs/dbraw/zinc/13/18/55/285131855.db2.gz CKDBRABJDOBSPQ-NEPJUHHUSA-N 1 0 266.341 2.540 20 5 CFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268881421 384684711 /nfs/dbraw/zinc/68/47/11/384684711.db2.gz LRYSVRBNFVDHTN-WDMOLILDSA-N 1 0 266.341 2.652 20 5 CFBDRO CC[C@H](C)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269660857 384825141 /nfs/dbraw/zinc/82/51/41/384825141.db2.gz QJDZLZBOOYANKG-SMDDNHRTSA-N 1 0 266.341 2.606 20 5 CFBDRO CC(C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269664897 384826833 /nfs/dbraw/zinc/82/68/33/384826833.db2.gz ROCNPTQNPUCVGQ-OAHLLOKOSA-N 1 0 278.352 2.749 20 5 CFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000269676456 384831836 /nfs/dbraw/zinc/83/18/36/384831836.db2.gz WRNPSAFEDDZRCE-FZMZJTMJSA-N 1 0 278.352 2.749 20 5 CFBDRO COC(=O)CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000280417208 385010592 /nfs/dbraw/zinc/01/05/92/385010592.db2.gz LTPMFTVFZAKKTH-UHFFFAOYSA-N 1 0 298.364 2.622 20 5 CFBDRO CCC(=O)c1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000280724104 385128701 /nfs/dbraw/zinc/12/87/01/385128701.db2.gz MPNBPBLEBIDWGT-NSHDSACASA-N 1 0 293.367 2.940 20 5 CFBDRO CN(CCC[NH+]1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000281157680 385183686 /nfs/dbraw/zinc/18/36/86/385183686.db2.gz FVPSSLGGDGDWSR-UHFFFAOYSA-N 1 0 283.397 2.574 20 5 CFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000368390500 285155200 /nfs/dbraw/zinc/15/52/00/285155200.db2.gz ARWLYFZYXOGOND-NSHDSACASA-N 1 0 295.770 2.923 20 5 CFBDRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270815681 385235097 /nfs/dbraw/zinc/23/50/97/385235097.db2.gz XMELAOFMIIORIT-NSHDSACASA-N 1 0 279.340 2.654 20 5 CFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncc(F)c1 ZINC000282412476 385305183 /nfs/dbraw/zinc/30/51/83/385305183.db2.gz IOPGWXVUSMVNCB-UHFFFAOYSA-N 1 0 289.310 2.803 20 5 CFBDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282464246 385317676 /nfs/dbraw/zinc/31/76/76/385317676.db2.gz UEVHFBOYTKEDHV-DGCLKSJQSA-N 1 0 294.351 2.603 20 5 CFBDRO CCSCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282328436 385284233 /nfs/dbraw/zinc/28/42/33/385284233.db2.gz ARTMAQDZUJLUCQ-UHFFFAOYSA-N 1 0 268.382 2.822 20 5 CFBDRO CC(C)OCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282535313 385337246 /nfs/dbraw/zinc/33/72/46/385337246.db2.gz VKCJBMWFIJFNPP-UHFFFAOYSA-N 1 0 280.368 2.884 20 5 CFBDRO COC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283227372 385449259 /nfs/dbraw/zinc/44/92/59/385449259.db2.gz TZEGUSGLMKYTCE-UHFFFAOYSA-N 1 0 282.315 2.735 20 5 CFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000283046265 385428011 /nfs/dbraw/zinc/42/80/11/385428011.db2.gz RVENAUNHCWIPPB-UHFFFAOYSA-N 1 0 284.331 2.765 20 5 CFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2(O)CCC2)c1 ZINC000283989574 385521380 /nfs/dbraw/zinc/52/13/80/385521380.db2.gz LYKYSWDVESJQIS-UHFFFAOYSA-N 1 0 284.743 2.643 20 5 CFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000272516005 385556782 /nfs/dbraw/zinc/55/67/82/385556782.db2.gz KTVYHQJLARRWNL-DZGCQCFKSA-N 1 0 278.352 2.578 20 5 CFBDRO CO[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000285821785 385558054 /nfs/dbraw/zinc/55/80/54/385558054.db2.gz VOJSTYFZSSFFPU-QWRGUYRKSA-N 1 0 252.314 2.623 20 5 CFBDRO Cc1c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000272620767 385577573 /nfs/dbraw/zinc/57/75/73/385577573.db2.gz YHZYIELWWKYJAR-GOEBONIOSA-N 1 0 292.379 2.886 20 5 CFBDRO CCOC1CC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000286981638 385755209 /nfs/dbraw/zinc/75/52/09/385755209.db2.gz OSPMIORETGMYAZ-UHFFFAOYSA-N 1 0 264.325 2.594 20 5 CFBDRO C[C@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000274426712 385794798 /nfs/dbraw/zinc/79/47/98/385794798.db2.gz VBPBQYQWKGHKPX-SNVBAGLBSA-N 1 0 286.759 2.889 20 5 CFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCSC2)cs1 ZINC000288564824 197113469 /nfs/dbraw/zinc/11/34/69/197113469.db2.gz ZABSAZSGIOQDKQ-VIFPVBQESA-N 1 0 272.395 2.889 20 5 CFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccccc1[N+](=O)[O-] ZINC000275109620 385934715 /nfs/dbraw/zinc/93/47/15/385934715.db2.gz HAODMHJKUNYVTM-SGMGOOAPSA-N 1 0 278.352 2.797 20 5 CFBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000276745463 386031990 /nfs/dbraw/zinc/03/19/90/386031990.db2.gz HBDSMJHLWRMJGE-BPLDGKMQSA-N 1 0 290.363 2.806 20 5 CFBDRO CCOc1cc(C[N@H+](C)CC2CC2)ccc1[N+](=O)[O-] ZINC000276881053 386069044 /nfs/dbraw/zinc/06/90/44/386069044.db2.gz ITPGHQZEAOPMPB-UHFFFAOYSA-N 1 0 264.325 2.835 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000288352429 197056998 /nfs/dbraw/zinc/05/69/98/197056998.db2.gz CFGCLFJIFMRILA-HUUCEWRRSA-N 1 0 278.352 2.686 20 5 CFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000288283381 197043080 /nfs/dbraw/zinc/04/30/80/197043080.db2.gz HIQSCWYDUFPJCD-LLVKDONJSA-N 1 0 281.331 2.654 20 5 CFBDRO CC[C@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000094953992 184903180 /nfs/dbraw/zinc/90/31/80/184903180.db2.gz NRELAGCDHHTSGN-SNVBAGLBSA-N 1 0 286.759 2.746 20 5 CFBDRO C[N@H+](CCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000281694138 195340552 /nfs/dbraw/zinc/34/05/52/195340552.db2.gz GHMISIAMWLOHHY-UHFFFAOYSA-N 1 0 290.319 2.669 20 5 CFBDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000283904482 195940972 /nfs/dbraw/zinc/94/09/72/195940972.db2.gz DJBQGKYSPGSCGT-LLVKDONJSA-N 1 0 264.325 2.551 20 5 CFBDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000422938168 533341184 /nfs/dbraw/zinc/34/11/84/533341184.db2.gz GTCFBPHALYJUIA-BKQLOGFTSA-N 1 0 275.352 2.528 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000353193252 533408455 /nfs/dbraw/zinc/40/84/55/533408455.db2.gz OVIORMVDZFORGW-JQIVSHAJSA-N 1 0 290.363 2.749 20 5 CFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCCF)C2)nc1 ZINC000341908857 130121751 /nfs/dbraw/zinc/12/17/51/130121751.db2.gz GCIGCEMITMXZNO-GFCCVEGCSA-N 1 0 296.346 2.616 20 5 CFBDRO Cc1ccc(CN2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000355356741 130288721 /nfs/dbraw/zinc/28/87/21/130288721.db2.gz ROAYEFQLDKVWQE-ZDUSSCGKSA-N 1 0 252.289 2.837 20 5 CFBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191956515 130338830 /nfs/dbraw/zinc/33/88/30/130338830.db2.gz CKPZWRUCMIEDQJ-OAHLLOKOSA-N 1 0 278.352 2.640 20 5 CFBDRO Cc1cc(NC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484459 130867929 /nfs/dbraw/zinc/86/79/29/130867929.db2.gz KJQGZIFHPAPCQH-LLVKDONJSA-N 1 0 287.319 2.900 20 5 CFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000251757235 131131833 /nfs/dbraw/zinc/13/18/33/131131833.db2.gz LSPWCCGWOQFEBH-UKRRQHHQSA-N 1 0 278.352 2.893 20 5 CFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000252196246 131133931 /nfs/dbraw/zinc/13/39/31/131133931.db2.gz SJSCSOWDXFPUPO-SMDDNHRTSA-N 1 0 264.325 2.503 20 5 CFBDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263688920 131309520 /nfs/dbraw/zinc/30/95/20/131309520.db2.gz OKEPPIJJBKKVLO-ZDUSSCGKSA-N 1 0 299.330 2.863 20 5 CFBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000263784661 131329901 /nfs/dbraw/zinc/32/99/01/131329901.db2.gz MLJKFSBYRSBLGF-UHFFFAOYSA-N 1 0 279.340 2.511 20 5 CFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000264235981 131418757 /nfs/dbraw/zinc/41/87/57/131418757.db2.gz DDATWYRVJLGJLI-YGRLFVJLSA-N 1 0 292.335 2.740 20 5 CFBDRO Cc1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268498436 132018204 /nfs/dbraw/zinc/01/82/04/132018204.db2.gz PREWGZHUSJPOMZ-ZDUSSCGKSA-N 1 0 292.383 2.831 20 5 CFBDRO Cc1nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000268524933 132022147 /nfs/dbraw/zinc/02/21/47/132022147.db2.gz VVGOXPPIYDTPMA-RYUDHWBXSA-N 1 0 278.356 2.583 20 5 CFBDRO Cc1nc(NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268538180 132024035 /nfs/dbraw/zinc/02/40/35/132024035.db2.gz YTFHMDMXSADKME-UHFFFAOYSA-N 1 0 292.383 2.831 20 5 CFBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268869011 132080381 /nfs/dbraw/zinc/08/03/81/132080381.db2.gz TZFBCAWUZHISRN-RYUDHWBXSA-N 1 0 266.341 2.979 20 5 CFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268901401 132085331 /nfs/dbraw/zinc/08/53/31/132085331.db2.gz CRJPRKSCDPLSKY-AWEZNQCLSA-N 1 0 288.351 2.612 20 5 CFBDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268914581 132087047 /nfs/dbraw/zinc/08/70/47/132087047.db2.gz ZXADLRVDEXJJBD-LBPRGKRZSA-N 1 0 288.351 2.841 20 5 CFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000268996984 132098351 /nfs/dbraw/zinc/09/83/51/132098351.db2.gz IDGYOAXZVHRORX-CMPLNLGQSA-N 1 0 266.341 2.715 20 5 CFBDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000180449629 393481938 /nfs/dbraw/zinc/48/19/38/393481938.db2.gz QUWFRLOYLPXWCO-JTQLQIEISA-N 1 0 274.324 2.520 20 5 CFBDRO C[NH+](C)C1(CNCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000020094661 393486441 /nfs/dbraw/zinc/48/64/41/393486441.db2.gz YQRXSMWKBOZWFM-UHFFFAOYSA-N 1 0 291.395 2.949 20 5 CFBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331285159 393556050 /nfs/dbraw/zinc/55/60/50/393556050.db2.gz GEYJEYKXTFPWLJ-RYUDHWBXSA-N 1 0 280.372 2.729 20 5 CFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000048739058 393597840 /nfs/dbraw/zinc/59/78/40/393597840.db2.gz TVAKBVZTLYPBPV-CYBMUJFWSA-N 1 0 292.335 2.512 20 5 CFBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000384767151 393581162 /nfs/dbraw/zinc/58/11/62/393581162.db2.gz BHJPSPWIKJQBEH-VIFPVBQESA-N 1 0 286.759 2.887 20 5 CFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000194086744 393677150 /nfs/dbraw/zinc/67/71/50/393677150.db2.gz MBHIXBYUDRRJHU-UHFFFAOYSA-N 1 0 252.314 2.834 20 5 CFBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000191876063 393610244 /nfs/dbraw/zinc/61/02/44/393610244.db2.gz OEKLRJCYOYSXCH-KGLIPLIRSA-N 1 0 294.399 2.986 20 5 CFBDRO CC(C)[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411141204 393672980 /nfs/dbraw/zinc/67/29/80/393672980.db2.gz IUKRIIADCRQDJP-GFCCVEGCSA-N 1 0 293.367 2.900 20 5 CFBDRO COc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000081055348 393731319 /nfs/dbraw/zinc/73/13/19/393731319.db2.gz BXHCMSONLZVZQY-NSHDSACASA-N 1 0 266.341 2.985 20 5 CFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195512759 393742913 /nfs/dbraw/zinc/74/29/13/393742913.db2.gz YTKVSGSFCXBRGF-SNVBAGLBSA-N 1 0 298.412 2.974 20 5 CFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000077323156 393697390 /nfs/dbraw/zinc/69/73/90/393697390.db2.gz QJYGKXDCMDYPSO-UHFFFAOYSA-N 1 0 278.352 2.984 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000337416207 393765778 /nfs/dbraw/zinc/76/57/78/393765778.db2.gz NRXSATNMSUMBCO-GXFFZTMASA-N 1 0 264.325 2.882 20 5 CFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC12CC2 ZINC000424188159 393790250 /nfs/dbraw/zinc/79/02/50/393790250.db2.gz XCUZUKROIIHWBD-ZDUSSCGKSA-N 1 0 262.309 2.636 20 5 CFBDRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1[N+](=O)[O-] ZINC000093661041 393805171 /nfs/dbraw/zinc/80/51/71/393805171.db2.gz PGRUFWJYCAHJPA-BETUJISGSA-N 1 0 260.337 2.991 20 5 CFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000342681762 393868604 /nfs/dbraw/zinc/86/86/04/393868604.db2.gz QXTAENRAUOSPEV-CQSZACIVSA-N 1 0 277.368 2.509 20 5 CFBDRO CO[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000425420920 393879218 /nfs/dbraw/zinc/87/92/18/393879218.db2.gz NDWBGMJVJBQCIL-MRXNPFEDSA-N 1 0 290.363 2.984 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCOC1 ZINC000470172820 393899320 /nfs/dbraw/zinc/89/93/20/393899320.db2.gz CWDMNYZRRQCCPL-JEMSNHSXSA-N 1 0 290.363 2.966 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C ZINC000430200812 393967014 /nfs/dbraw/zinc/96/70/14/393967014.db2.gz HZKJOMNNONAGBJ-NSHDSACASA-N 1 0 264.325 2.978 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000430208255 393967723 /nfs/dbraw/zinc/96/77/23/393967723.db2.gz AZNKCHPCWWBNLI-TXEJJXNPSA-N 1 0 276.336 2.835 20 5 CFBDRO C[C@@H]1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000123029626 393975003 /nfs/dbraw/zinc/97/50/03/393975003.db2.gz KNUFDNFSWPGNGK-GHMZBOCLSA-N 1 0 264.325 2.640 20 5 CFBDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123557534 393983967 /nfs/dbraw/zinc/98/39/67/393983967.db2.gz GBMNUPLUSIDMCR-ZDUSSCGKSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000268973560 393997863 /nfs/dbraw/zinc/99/78/63/393997863.db2.gz IOLNGHZKUAPMHK-MDZLAQPJSA-N 1 0 280.368 2.961 20 5 CFBDRO CC(C)[C@@](C)(CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353238143 394026135 /nfs/dbraw/zinc/02/61/35/394026135.db2.gz GLQRJCDEOCOZIT-PMGBHYCQSA-N 1 0 278.352 2.605 20 5 CFBDRO C[C@H]1CC[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353458320 394030090 /nfs/dbraw/zinc/03/00/90/394030090.db2.gz BOMQWDCNCIEYGR-DYLGSBMWSA-N 1 0 289.379 2.634 20 5 CFBDRO CN(CCC[NH+]1CCCC1)c1cccc(F)c1[N+](=O)[O-] ZINC000281998445 394107852 /nfs/dbraw/zinc/10/78/52/394107852.db2.gz WGYRWYHJFABMMO-UHFFFAOYSA-N 1 0 281.331 2.656 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420283155 394116104 /nfs/dbraw/zinc/11/61/04/394116104.db2.gz NSENVOZGTXSSOG-RYUDHWBXSA-N 1 0 263.341 2.833 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420938675 394131292 /nfs/dbraw/zinc/13/12/92/394131292.db2.gz KXKYGCJVERAKED-FRRDWIJNSA-N 1 0 278.352 2.606 20 5 CFBDRO CCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000285748880 394146390 /nfs/dbraw/zinc/14/63/90/394146390.db2.gz YOVAGXGGJYJCLJ-HNNXBMFYSA-N 1 0 294.351 2.652 20 5 CFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H](O)C3)C2)cc1 ZINC000420982300 394147442 /nfs/dbraw/zinc/14/74/42/394147442.db2.gz ZMRRQPKCKRYTHE-XPKDYRNWSA-N 1 0 290.363 2.545 20 5 CFBDRO CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539089 394151842 /nfs/dbraw/zinc/15/18/42/394151842.db2.gz FLSNACQSAMWLEO-NEPJUHHUSA-N 1 0 280.372 2.911 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000363796293 394201373 /nfs/dbraw/zinc/20/13/73/394201373.db2.gz KEOYUJWVMXPPEA-UHFFFAOYSA-N 1 0 290.363 2.952 20 5 CFBDRO COc1cccc(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000134912352 394206690 /nfs/dbraw/zinc/20/66/90/394206690.db2.gz PCSGDFUCNWCVIM-LBPRGKRZSA-N 1 0 293.367 2.890 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCOC1 ZINC000449149171 394230335 /nfs/dbraw/zinc/23/03/35/394230335.db2.gz MJSRTQYOVPKENI-DOMZBBRYSA-N 1 0 278.352 2.542 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cn1 ZINC000449189969 394247164 /nfs/dbraw/zinc/24/71/64/394247164.db2.gz HXVMFIGVPYZUGQ-LLVKDONJSA-N 1 0 289.310 2.850 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000449194200 394248562 /nfs/dbraw/zinc/24/85/62/394248562.db2.gz OWKFTXDCZFMUJN-WFASDCNBSA-N 1 0 278.352 2.685 20 5 CFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449198857 394249346 /nfs/dbraw/zinc/24/93/46/394249346.db2.gz AEIWBCKAFQUQKB-XNRPHZJLSA-N 1 0 292.379 2.931 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCCC1 ZINC000449218216 394254957 /nfs/dbraw/zinc/25/49/57/394254957.db2.gz GJTAPYBPHKTLTB-AWEZNQCLSA-N 1 0 291.395 2.601 20 5 CFBDRO Cc1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)ncc1[N+](=O)[O-] ZINC000363449807 394195878 /nfs/dbraw/zinc/19/58/78/394195878.db2.gz MPTUOWMUZRJZCZ-CQSZACIVSA-N 1 0 298.346 2.897 20 5 CFBDRO CC(C)OCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449239072 394263685 /nfs/dbraw/zinc/26/36/85/394263685.db2.gz UODARTCTOJPPDD-LBPRGKRZSA-N 1 0 266.341 2.540 20 5 CFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000449245651 394265902 /nfs/dbraw/zinc/26/59/02/394265902.db2.gz BSVDLOROYCQJJB-RDBSUJKOSA-N 1 0 292.379 2.931 20 5 CFBDRO CCC(CC)(C[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000291820128 394266403 /nfs/dbraw/zinc/26/64/03/394266403.db2.gz ZDVGPZHAIKEGLN-UHFFFAOYSA-N 1 0 272.370 2.951 20 5 CFBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000292353409 394272880 /nfs/dbraw/zinc/27/28/80/394272880.db2.gz QWCCDXBHNBAKTD-HNNXBMFYSA-N 1 0 293.342 2.574 20 5 CFBDRO CO[C@](C)(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449338335 394273583 /nfs/dbraw/zinc/27/35/83/394273583.db2.gz VJKXXGAXDUJSKA-MLGOLLRUSA-N 1 0 292.379 2.931 20 5 CFBDRO CC(C)[C@H]([NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423280446 394275847 /nfs/dbraw/zinc/27/58/47/394275847.db2.gz UEUYYXOTHRSPFA-CABCVRRESA-N 1 0 291.395 2.890 20 5 CFBDRO CC[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293765506 394285097 /nfs/dbraw/zinc/28/50/97/394285097.db2.gz SISOJVVMUJKZNJ-SMDDNHRTSA-N 1 0 278.352 2.678 20 5 CFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000450596090 394295992 /nfs/dbraw/zinc/29/59/92/394295992.db2.gz MVBPIHVALRKOSO-NSHDSACASA-N 1 0 298.412 2.974 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159149315 394364000 /nfs/dbraw/zinc/36/40/00/394364000.db2.gz YXGZIGYDPVLCMD-VXGBXAGGSA-N 1 0 266.341 2.715 20 5 CFBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176270321 394381175 /nfs/dbraw/zinc/38/11/75/394381175.db2.gz LRRWEYFQFYQDDQ-OLZOCXBDSA-N 1 0 280.372 2.692 20 5 CFBDRO Cc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000453412682 394399696 /nfs/dbraw/zinc/39/96/96/394399696.db2.gz WHCDGDZXZQYIFE-GFCCVEGCSA-N 1 0 286.335 2.587 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cncn1C ZINC000530460177 394519671 /nfs/dbraw/zinc/51/96/71/394519671.db2.gz RNPRCYDBLYQQKG-GFCCVEGCSA-N 1 0 288.351 2.530 20 5 CFBDRO COC(C)(C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538828013 394617237 /nfs/dbraw/zinc/61/72/37/394617237.db2.gz FOAMZKATIZIDOE-VQHVLOKHSA-N 1 0 278.352 2.965 20 5 CFBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539086783 394621703 /nfs/dbraw/zinc/62/17/03/394621703.db2.gz LVMIHYNJNVOFMI-STQMWFEESA-N 1 0 296.367 2.605 20 5 CFBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000548487728 394935979 /nfs/dbraw/zinc/93/59/79/394935979.db2.gz PNGNKNSQDWVASF-OCCSQVGLSA-N 1 0 280.372 2.740 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000356357443 155238584 /nfs/dbraw/zinc/23/85/84/155238584.db2.gz FXISKQUBXUWABK-WFASDCNBSA-N 1 0 292.379 2.886 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279776752 292297052 /nfs/dbraw/zinc/29/70/52/292297052.db2.gz NKRYUNBABXBJIN-SMDDNHRTSA-N 1 0 278.352 2.667 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412041247 292297057 /nfs/dbraw/zinc/29/70/57/292297057.db2.gz RZSMUPHHMYBWRD-VHRBIJSZSA-N 1 0 278.352 2.667 20 5 CFBDRO CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000345540669 154200441 /nfs/dbraw/zinc/20/04/41/154200441.db2.gz KGZKTNGPRFIPTC-CYBMUJFWSA-N 1 0 293.367 2.962 20 5 CFBDRO CC(C)[C@H](CO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000348258626 154384024 /nfs/dbraw/zinc/38/40/24/154384024.db2.gz XRLUNUQGLQCDIH-XJKSGUPXSA-N 1 0 292.379 2.826 20 5 CFBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000355787127 155086960 /nfs/dbraw/zinc/08/69/60/155086960.db2.gz STAPRFRVJLNXTM-LBPRGKRZSA-N 1 0 278.356 2.666 20 5 CFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000359080363 155978559 /nfs/dbraw/zinc/97/85/59/155978559.db2.gz FJQQTQXOLWWSFH-NSHDSACASA-N 1 0 292.383 2.750 20 5 CFBDRO CCCCC[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362949733 156123159 /nfs/dbraw/zinc/12/31/59/156123159.db2.gz SIACLWLBWGBUJQ-ZDUSSCGKSA-N 1 0 280.372 2.836 20 5 CFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC23CCCCC3)c1 ZINC000363162684 156156479 /nfs/dbraw/zinc/15/64/79/156156479.db2.gz NERZFXMWTPRESF-UHFFFAOYSA-N 1 0 278.356 2.590 20 5 CFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367065975 156275152 /nfs/dbraw/zinc/27/51/52/156275152.db2.gz HQEROKHYJGYWKN-MRXNPFEDSA-N 1 0 290.363 2.640 20 5 CFBDRO Cc1c(C[N@@H+]2CCC[C@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000367106855 156283002 /nfs/dbraw/zinc/28/30/02/156283002.db2.gz KTSVPHPGRBLWCQ-DZGCQCFKSA-N 1 0 276.336 2.514 20 5 CFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CC3CCCC3)C2)c1 ZINC000373586212 157009862 /nfs/dbraw/zinc/00/98/62/157009862.db2.gz RAGXCXGJAVLOAK-ZDUSSCGKSA-N 1 0 278.356 2.618 20 5 CFBDRO Cc1cc(NC2CC([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000373674800 157019861 /nfs/dbraw/zinc/01/98/61/157019861.db2.gz XHGKVVDEQIGXKR-UHFFFAOYSA-N 1 0 290.367 2.727 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000375019418 157185251 /nfs/dbraw/zinc/18/52/51/157185251.db2.gz MBERLBODXUDGOR-WWGRRREGSA-N 1 0 289.379 2.682 20 5 CFBDRO O=[N+]([O-])c1ccc(CN2CCOCC3(CCC3)C2)c(F)c1 ZINC000408217095 157387625 /nfs/dbraw/zinc/38/76/25/157387625.db2.gz XPCHRIZCHYKAMR-UHFFFAOYSA-N 1 0 294.326 2.736 20 5 CFBDRO CCC[C@@](C)(CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344336296 162016012 /nfs/dbraw/zinc/01/60/12/162016012.db2.gz BMQHJCLAVFSPPI-LYASGUKUSA-N 1 0 278.352 2.749 20 5 CFBDRO CC[C@H](C)[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344368736 162027734 /nfs/dbraw/zinc/02/77/34/162027734.db2.gz FRJGVUJBAAVMSU-JXHQUJACSA-N 1 0 292.379 2.995 20 5 CFBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344577453 162070892 /nfs/dbraw/zinc/07/08/92/162070892.db2.gz JKHJHCBQWRNESR-ONGXEEELSA-N 1 0 272.370 2.543 20 5 CFBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344781631 162120556 /nfs/dbraw/zinc/12/05/56/162120556.db2.gz WYTWHEUVQJFATI-SNVBAGLBSA-N 1 0 277.349 2.772 20 5 CFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@H](C)CO ZINC000344792724 162123535 /nfs/dbraw/zinc/12/35/35/162123535.db2.gz NHKYMRKOELIASX-PGJRDNSLSA-N 1 0 278.352 2.605 20 5 CFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)CCO ZINC000344975082 162155815 /nfs/dbraw/zinc/15/58/15/162155815.db2.gz HOTYPBQEUVBZEJ-LCYFTJDESA-N 1 0 292.379 2.996 20 5 CFBDRO CC[N@@H+]1C[C@H](C)N(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345154536 162189361 /nfs/dbraw/zinc/18/93/61/162189361.db2.gz XJXVDHPWNLRQFE-RYUDHWBXSA-N 1 0 263.341 2.514 20 5 CFBDRO COc1cc(C[NH2+][C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000346261267 162364606 /nfs/dbraw/zinc/36/46/06/162364606.db2.gz MJZPDWRBOCAEEC-NSHDSACASA-N 1 0 294.351 2.977 20 5 CFBDRO CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423478676 286932846 /nfs/dbraw/zinc/93/28/46/286932846.db2.gz NOHMHBZERRLZLS-OLZOCXBDSA-N 1 0 299.321 2.633 20 5 CFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000350278458 163069854 /nfs/dbraw/zinc/06/98/54/163069854.db2.gz MFGSUICDBMJJEV-UHFFFAOYSA-N 1 0 286.335 2.534 20 5 CFBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350340368 163071941 /nfs/dbraw/zinc/07/19/41/163071941.db2.gz CZQGVKIXUREREO-UHFFFAOYSA-N 1 0 298.314 2.555 20 5 CFBDRO CC[NH+](CC)[C@@H](C)CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000351477796 163131887 /nfs/dbraw/zinc/13/18/87/163131887.db2.gz UVURFRSEDLNQHR-JTQLQIEISA-N 1 0 299.346 2.885 20 5 CFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352676051 163221304 /nfs/dbraw/zinc/22/13/04/163221304.db2.gz SQVMZDUXYWMQQW-SWHYSGLUSA-N 1 0 264.325 2.501 20 5 CFBDRO CCOc1cc(C[NH2+][C@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352816342 163241930 /nfs/dbraw/zinc/24/19/30/163241930.db2.gz OTMFHGBDFRNUAQ-PWSUYJOCSA-N 1 0 296.392 2.835 20 5 CFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000353023712 163290714 /nfs/dbraw/zinc/29/07/14/163290714.db2.gz XQQHRBKKWPLJLV-GXFFZTMASA-N 1 0 266.366 2.744 20 5 CFBDRO C[C@@H]1COCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353036099 163292584 /nfs/dbraw/zinc/29/25/84/163292584.db2.gz FDPKBYWVXMCTNZ-ZZEYUXRUSA-N 1 0 290.363 2.870 20 5 CFBDRO Cc1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353138001 163313332 /nfs/dbraw/zinc/31/33/32/163313332.db2.gz XRSFYLVDADCXIP-ZDUSSCGKSA-N 1 0 279.384 2.722 20 5 CFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353447328 163368254 /nfs/dbraw/zinc/36/82/54/163368254.db2.gz JPMDCPDMAHBKKK-DGCLKSJQSA-N 1 0 293.367 2.636 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000120234208 287071043 /nfs/dbraw/zinc/07/10/43/287071043.db2.gz XTXGZLAJCNQIQU-YRGRVCCFSA-N 1 0 278.352 2.797 20 5 CFBDRO CCCCOCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284266152 196016589 /nfs/dbraw/zinc/01/65/89/196016589.db2.gz WOHXJZFIVGFZDN-LLVKDONJSA-N 1 0 281.356 2.644 20 5 CFBDRO CC[C@@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000322749071 270296772 /nfs/dbraw/zinc/29/67/72/270296772.db2.gz DBGGFUURQVYECT-AWEZNQCLSA-N 1 0 266.341 2.808 20 5 CFBDRO CCn1nccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000284428915 196052723 /nfs/dbraw/zinc/05/27/23/196052723.db2.gz PBUPDHAKAAFTAJ-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000020126005 171009471 /nfs/dbraw/zinc/00/94/71/171009471.db2.gz VZRRWNUCKLVSGW-GFCCVEGCSA-N 1 0 279.384 2.894 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000020126006 171009995 /nfs/dbraw/zinc/00/99/95/171009995.db2.gz VZRRWNUCKLVSGW-LBPRGKRZSA-N 1 0 279.384 2.894 20 5 CFBDRO CC1CC[NH+](CCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000020146341 171032625 /nfs/dbraw/zinc/03/26/25/171032625.db2.gz QPMAZBQVFNIZEH-UHFFFAOYSA-N 1 0 291.395 2.806 20 5 CFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000021848182 171334879 /nfs/dbraw/zinc/33/48/79/171334879.db2.gz KRCKEUIAEMFFGH-GFCCVEGCSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284879796 196150337 /nfs/dbraw/zinc/15/03/37/196150337.db2.gz BJDYSYBSKODTQW-WCQYABFASA-N 1 0 293.367 2.787 20 5 CFBDRO Cc1ccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000035258547 172089917 /nfs/dbraw/zinc/08/99/17/172089917.db2.gz JSGZPYCFAAQNBC-OAHLLOKOSA-N 1 0 293.411 2.969 20 5 CFBDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035273846 172094498 /nfs/dbraw/zinc/09/44/98/172094498.db2.gz WJLHNNNHSXPZBB-BXUZGUMPSA-N 1 0 264.325 2.560 20 5 CFBDRO C[C@H](c1cnccn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285177020 196214489 /nfs/dbraw/zinc/21/44/89/196214489.db2.gz BMPUFFMMBJXJGZ-GFCCVEGCSA-N 1 0 286.335 2.620 20 5 CFBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285340332 196254144 /nfs/dbraw/zinc/25/41/44/196254144.db2.gz UTNGSQOQNUVVGK-NEPJUHHUSA-N 1 0 294.399 2.558 20 5 CFBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000035601098 172289273 /nfs/dbraw/zinc/28/92/73/172289273.db2.gz OIKITPOQMGZSNB-LRDDRELGSA-N 1 0 286.331 2.979 20 5 CFBDRO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285391661 196269455 /nfs/dbraw/zinc/26/94/55/196269455.db2.gz WTQVWTZLLLEZGH-IINYFYTJSA-N 1 0 295.383 2.625 20 5 CFBDRO C[N@H+](CCCCF)CCc1cccc([N+](=O)[O-])c1 ZINC000285360049 196260837 /nfs/dbraw/zinc/26/08/37/196260837.db2.gz QOOICUHLQIWVAD-UHFFFAOYSA-N 1 0 254.305 2.819 20 5 CFBDRO CCC[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285566598 196328953 /nfs/dbraw/zinc/32/89/53/196328953.db2.gz NLNUEZIZPLBTHA-OAHLLOKOSA-N 1 0 278.352 2.686 20 5 CFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1csc([N+](=O)[O-])c1 ZINC000285624378 196347862 /nfs/dbraw/zinc/34/78/62/196347862.db2.gz QVZPXJXCPGJHDW-AAEUAGOBSA-N 1 0 295.408 2.715 20 5 CFBDRO C[C@@H]([NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177110 173010327 /nfs/dbraw/zinc/01/03/27/173010327.db2.gz MNPFZEVOOIIJRD-LLVKDONJSA-N 1 0 257.293 2.841 20 5 CFBDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038095958 174110345 /nfs/dbraw/zinc/11/03/45/174110345.db2.gz WSSSDIQNMRZEBF-SMDDNHRTSA-N 1 0 264.325 2.815 20 5 CFBDRO O=[N+]([O-])c1ccc(CNCC[NH+]2CCCCCC2)cc1 ZINC000040433277 174260652 /nfs/dbraw/zinc/26/06/52/174260652.db2.gz OOCUDHWXTHZTND-UHFFFAOYSA-N 1 0 277.368 2.560 20 5 CFBDRO C[NH2+]C[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000040591661 174347146 /nfs/dbraw/zinc/34/71/46/174347146.db2.gz CDGRZZRXQWLNKG-QWHCGFSZSA-N 1 0 277.368 2.587 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccsc2)c1 ZINC000042249133 174665581 /nfs/dbraw/zinc/66/55/81/174665581.db2.gz UDPHKVXAKDTGFQ-UHFFFAOYSA-N 1 0 262.334 2.989 20 5 CFBDRO CCn1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000044500173 175185152 /nfs/dbraw/zinc/18/51/52/175185152.db2.gz KBWDBORJPOKQNR-LBPRGKRZSA-N 1 0 288.351 2.705 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044685478 175231246 /nfs/dbraw/zinc/23/12/46/175231246.db2.gz RGHARTFMZMAQCM-JSGCOSHPSA-N 1 0 289.379 2.791 20 5 CFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000058003182 175605243 /nfs/dbraw/zinc/60/52/43/175605243.db2.gz RFZCBXJFOVGKFK-LBPRGKRZSA-N 1 0 263.341 2.739 20 5 CFBDRO Cc1ccc(CNCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000071376935 176141681 /nfs/dbraw/zinc/14/16/81/176141681.db2.gz FEIXHUVVHVQEHA-UHFFFAOYSA-N 1 0 291.395 2.867 20 5 CFBDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000078514722 177348631 /nfs/dbraw/zinc/34/86/31/177348631.db2.gz DWFKUZWPDIKUIY-LBPRGKRZSA-N 1 0 278.352 2.941 20 5 CFBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000418089173 228023978 /nfs/dbraw/zinc/02/39/78/228023978.db2.gz BESWMGKYAGVUAR-ZDUSSCGKSA-N 1 0 266.341 2.746 20 5 CFBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000313154982 260253829 /nfs/dbraw/zinc/25/38/29/260253829.db2.gz NBGVKAJFCJMQAU-GXTWGEPZSA-N 1 0 266.341 2.542 20 5 CFBDRO COc1ccc(CN2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000083415155 260349818 /nfs/dbraw/zinc/34/98/18/260349818.db2.gz UYBPNMDJLGCDQH-UHFFFAOYSA-N 1 0 296.392 2.931 20 5 CFBDRO CC(C)[NH+](CCNCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000020039375 262227040 /nfs/dbraw/zinc/22/70/40/262227040.db2.gz CCAVZQMXHOKSDF-UHFFFAOYSA-N 1 0 279.384 2.803 20 5 CFBDRO COc1ccc(C[NH2+]Cc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000391109635 262381667 /nfs/dbraw/zinc/38/16/67/262381667.db2.gz BNZJAUGWYZFRSH-UHFFFAOYSA-N 1 0 287.319 2.597 20 5 CFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316198917 270294047 /nfs/dbraw/zinc/29/40/47/270294047.db2.gz PFPZXKNOLQMXSI-NHYWBVRUSA-N 1 0 278.352 2.715 20 5 CFBDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000396319771 270314228 /nfs/dbraw/zinc/31/42/28/270314228.db2.gz IZVUDGIRTXOZHB-UHFFFAOYSA-N 1 0 266.341 2.888 20 5 CFBDRO C[NH+](C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000397780692 270319275 /nfs/dbraw/zinc/31/92/75/270319275.db2.gz CZOVWEGQEMALIC-UHFFFAOYSA-N 1 0 286.335 2.649 20 5 CFBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000398045099 270321583 /nfs/dbraw/zinc/32/15/83/270321583.db2.gz ARALJEQOQITWPC-SKDRFNHKSA-N 1 0 284.743 2.905 20 5 CFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC2CCC1(C[NH3+])CC2 ZINC000514798048 270354454 /nfs/dbraw/zinc/35/44/54/270354454.db2.gz GCNIBAMLUCUYSC-VEAWUBTESA-N 1 0 289.379 2.859 20 5 CFBDRO COCC1(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000516866912 270389763 /nfs/dbraw/zinc/38/97/63/270389763.db2.gz ZEDLMOMAHYTLDL-UHFFFAOYSA-N 1 0 294.351 2.510 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCOCC1 ZINC000532494455 270861350 /nfs/dbraw/zinc/86/13/50/270861350.db2.gz CMBAOQNGYAXAHQ-GFCCVEGCSA-N 1 0 278.352 2.980 20 5 CFBDRO CC[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279221514 273719180 /nfs/dbraw/zinc/71/91/80/273719180.db2.gz ZBZYOUOICLPCMX-HZMBPMFUSA-N 1 0 278.352 2.678 20 5 CFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)c1ccccc1 ZINC000423248633 274231138 /nfs/dbraw/zinc/23/11/38/274231138.db2.gz NRESEOLQNZREMJ-XJKSGUPXSA-N 1 0 299.374 2.815 20 5 CFBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177228008 274234056 /nfs/dbraw/zinc/23/40/56/274234056.db2.gz BZLHIXHBBGKPAI-LLVKDONJSA-N 1 0 291.351 2.654 20 5 CFBDRO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332333556 274307274 /nfs/dbraw/zinc/30/72/74/274307274.db2.gz VJTFMKDNIPHCPZ-LYRGGWFBSA-N 1 0 289.379 2.560 20 5 CFBDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000038044612 274515479 /nfs/dbraw/zinc/51/54/79/274515479.db2.gz MMOCLBFDFXYPIK-NWDGAFQWSA-N 1 0 264.325 2.672 20 5 CFBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286393122 274713995 /nfs/dbraw/zinc/71/39/95/274713995.db2.gz PBJNZMDYEHNYKS-DZGCQCFKSA-N 1 0 289.379 2.966 20 5 CFBDRO O=[N+]([O-])c1cc(F)c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000227888311 275033731 /nfs/dbraw/zinc/03/37/31/275033731.db2.gz OEEQGUNESUQUEK-OLZOCXBDSA-N 1 0 297.305 2.912 20 5 CFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000366841512 275039815 /nfs/dbraw/zinc/03/98/15/275039815.db2.gz AVMBPTHEHWRGGK-CQSZACIVSA-N 1 0 290.363 2.843 20 5 CFBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000301992511 275040619 /nfs/dbraw/zinc/04/06/19/275040619.db2.gz NWAKTDFYDRSMIH-VHSXEESVSA-N 1 0 267.354 2.695 20 5 CFBDRO CC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278808394 275511493 /nfs/dbraw/zinc/51/14/93/275511493.db2.gz YHELAQWXQKAZCN-UHFFFAOYSA-N 1 0 262.313 2.607 20 5 CFBDRO CC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000290294872 287866044 /nfs/dbraw/zinc/86/60/44/287866044.db2.gz YGPSCCXWTBTZEB-ZWNOBZJWSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[NH+](CC)[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000062983320 276341232 /nfs/dbraw/zinc/34/12/32/276341232.db2.gz GTARFFABFCLCQK-NSHDSACASA-N 1 0 281.331 2.654 20 5 CFBDRO CC[C@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192890224 276566208 /nfs/dbraw/zinc/56/62/08/276566208.db2.gz UARXXYFQEJXVLF-IUODEOHRSA-N 1 0 278.352 2.723 20 5 CFBDRO C[N@@H+]1CCCC12CCN(c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000364134963 277042218 /nfs/dbraw/zinc/04/22/18/277042218.db2.gz XYFYJLDXMJNRTO-UHFFFAOYSA-N 1 0 293.342 2.799 20 5 CFBDRO COCC[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358203291 277235286 /nfs/dbraw/zinc/23/52/86/277235286.db2.gz NIZBIHFPWOTFDY-CYBMUJFWSA-N 1 0 280.368 2.932 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000090716824 277599959 /nfs/dbraw/zinc/59/99/59/277599959.db2.gz QSYYOVFCNMGNBA-RISCZKNCSA-N 1 0 278.352 2.979 20 5 CFBDRO CO[C@@H](C)[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358178210 277625655 /nfs/dbraw/zinc/62/56/55/277625655.db2.gz PZXVQUDKKIHVJK-STQMWFEESA-N 1 0 280.368 2.931 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000361033556 278037324 /nfs/dbraw/zinc/03/73/24/278037324.db2.gz TUNBKMFMBWNTLL-NEPJUHHUSA-N 1 0 280.368 2.967 20 5 CFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000375143357 278123635 /nfs/dbraw/zinc/12/36/35/278123635.db2.gz QLTPTAIRWBNCIY-HOTGVXAUSA-N 1 0 290.363 2.890 20 5 CFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000153160820 278236771 /nfs/dbraw/zinc/23/67/71/278236771.db2.gz NSPHHWOLLSSOEH-GXTWGEPZSA-N 1 0 278.352 2.685 20 5 CFBDRO C[C@@H]([NH2+]C1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361973494 278334027 /nfs/dbraw/zinc/33/40/27/278334027.db2.gz XTXGZLAJCNQIQU-LKSINWNRSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000040771799 278346760 /nfs/dbraw/zinc/34/67/60/278346760.db2.gz MIEWZGJDQWACIC-CQSZACIVSA-N 1 0 291.395 2.977 20 5 CFBDRO C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)[NH3+] ZINC000415006168 278357044 /nfs/dbraw/zinc/35/70/44/278357044.db2.gz KAWWURKDIVWBTK-WDEREUQCSA-N 1 0 289.335 2.680 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000219246475 278386355 /nfs/dbraw/zinc/38/63/55/278386355.db2.gz AJRXJVDRUHBICT-ZJUUUORDSA-N 1 0 252.339 2.751 20 5 CFBDRO C[C@@H](O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279036511 278392280 /nfs/dbraw/zinc/39/22/80/278392280.db2.gz IYVQFIFOQZYUEF-YGRLFVJLSA-N 1 0 278.352 2.678 20 5 CFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000286490311 279088796 /nfs/dbraw/zinc/08/87/96/279088796.db2.gz RIAOBHMQXQJCDJ-YPMHNXCESA-N 1 0 293.342 2.797 20 5 CFBDRO C[C@@H]1[C@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000492193087 279104223 /nfs/dbraw/zinc/10/42/23/279104223.db2.gz MFZFQBAQWOADNH-MNOVXSKESA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360211577 280111875 /nfs/dbraw/zinc/11/18/75/280111875.db2.gz FJKLXHVNKGWAMW-QWRGUYRKSA-N 1 0 297.786 2.773 20 5 CFBDRO C[C@H]1[C@H]([NH3+])CCN1c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420243195 280114587 /nfs/dbraw/zinc/11/45/87/280114587.db2.gz CIGOEHGFLWYBIV-IMTBSYHQSA-N 1 0 290.150 2.828 20 5 CFBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000290294871 280146177 /nfs/dbraw/zinc/14/61/77/280146177.db2.gz YGPSCCXWTBTZEB-MFKMUULPSA-N 1 0 252.314 2.670 20 5 CFBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000079735228 280153731 /nfs/dbraw/zinc/15/37/31/280153731.db2.gz PSYHSARKGMDQDE-QWRGUYRKSA-N 1 0 252.314 2.670 20 5 CFBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000219241786 280233627 /nfs/dbraw/zinc/23/36/27/280233627.db2.gz UGVPIDNOFPGFRD-YPMHNXCESA-N 1 0 266.341 2.652 20 5 CFBDRO CS[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000128169822 280673623 /nfs/dbraw/zinc/67/36/23/280673623.db2.gz XSYCNZMPWUAENI-JTQLQIEISA-N 1 0 254.355 2.744 20 5 CFBDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000189074955 280869208 /nfs/dbraw/zinc/86/92/08/280869208.db2.gz UOEREKSZKMLQIF-HNNXBMFYSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CCc3c[nH+]ccc32)c1 ZINC000362562067 281014264 /nfs/dbraw/zinc/01/42/64/281014264.db2.gz WVSHTJDROPTLMY-UHFFFAOYSA-N 1 0 255.277 2.992 20 5 CFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292915357 281014293 /nfs/dbraw/zinc/01/42/93/281014293.db2.gz XWPLPXFUDRZPOD-MRXNPFEDSA-N 1 0 289.379 2.825 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420305404 281021955 /nfs/dbraw/zinc/02/19/55/281021955.db2.gz KCXVMQHERFWTTG-XJKSGUPXSA-N 1 0 289.379 2.650 20 5 CFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000374627681 281191427 /nfs/dbraw/zinc/19/14/27/281191427.db2.gz CWMBWGCVZGZAKR-OAHLLOKOSA-N 1 0 290.363 2.843 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1 ZINC000397822979 281202814 /nfs/dbraw/zinc/20/28/14/281202814.db2.gz FNGNFJFYJHVLQJ-SCZZXKLOSA-N 1 0 270.329 2.718 20 5 CFBDRO Cc1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000275376677 281230039 /nfs/dbraw/zinc/23/00/39/281230039.db2.gz ASFOPDNTVCNLJF-AWEZNQCLSA-N 1 0 289.379 2.968 20 5 CFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292635307 281260329 /nfs/dbraw/zinc/26/03/29/281260329.db2.gz AJXUQVVJCJITEE-MRXNPFEDSA-N 1 0 289.379 2.825 20 5 CFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1 ZINC000520229163 281309478 /nfs/dbraw/zinc/30/94/78/281309478.db2.gz CTLMVKRATDLRJM-NWDGAFQWSA-N 1 0 252.289 2.965 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000558254434 281979209 /nfs/dbraw/zinc/97/92/09/281979209.db2.gz CHJZDLAXJGODEA-OLZOCXBDSA-N 1 0 280.368 2.818 20 5 CFBDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000558508222 281983923 /nfs/dbraw/zinc/98/39/23/281983923.db2.gz RZZDFZYVJJONAM-QWHCGFSZSA-N 1 0 296.367 2.605 20 5 CFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000559295978 282004632 /nfs/dbraw/zinc/00/46/32/282004632.db2.gz VJRSZEAKKZGLJN-PHIMTYICSA-N 1 0 296.392 2.929 20 5 CFBDRO C[NH+](C)CC1(CNc2cc(N)ccc2[N+](=O)[O-])CCCC1 ZINC000193499842 282075430 /nfs/dbraw/zinc/07/54/30/282075430.db2.gz GTKDOLNAIHAXRD-UHFFFAOYSA-N 1 0 292.383 2.711 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000266745335 290044807 /nfs/dbraw/zinc/04/48/07/290044807.db2.gz ARHOOAALNUHQEE-WHOFXGATSA-N 1 0 278.352 2.797 20 5 CFBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296040303 290060348 /nfs/dbraw/zinc/06/03/48/290060348.db2.gz NYUTWSQFHMKELA-KWBADKCTSA-N 1 0 266.366 2.997 20 5 CFBDRO CC[C@H](COC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563415985 290146434 /nfs/dbraw/zinc/14/64/34/290146434.db2.gz DZLAQKLEJAFASK-ZWNOBZJWSA-N 1 0 264.325 2.597 20 5 CFBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCOC1 ZINC000563417792 290147204 /nfs/dbraw/zinc/14/72/04/290147204.db2.gz MHVXDFLRNOWEGE-HUBLWGQQSA-N 1 0 290.363 2.987 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCCO1 ZINC000564586153 290217768 /nfs/dbraw/zinc/21/77/68/290217768.db2.gz VQOVLNVAPWRNRX-SMDDNHRTSA-N 1 0 276.336 2.741 20 5 CFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000564727471 290227294 /nfs/dbraw/zinc/22/72/94/290227294.db2.gz DQJGXTHFGBQXST-YPMHNXCESA-N 1 0 278.352 2.985 20 5 CFBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218302 290283977 /nfs/dbraw/zinc/28/39/77/290283977.db2.gz PKADFJULMXKFRE-YGRLFVJLSA-N 1 0 286.335 2.666 20 5 CFBDRO CC[C@@](C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000565434907 290302075 /nfs/dbraw/zinc/30/20/75/290302075.db2.gz WQLHJVXZJLOJHZ-HIFRSBDPSA-N 1 0 278.352 2.987 20 5 CFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)C(C)(C)C1 ZINC000565636682 290314096 /nfs/dbraw/zinc/31/40/96/290314096.db2.gz NBJBBHBCUAAAND-LBPRGKRZSA-N 1 0 277.368 2.682 20 5 CFBDRO CC1(C)C[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566117460 290349921 /nfs/dbraw/zinc/34/99/21/290349921.db2.gz NKWAYGSPVXENCR-LLVKDONJSA-N 1 0 291.351 2.559 20 5 CFBDRO C[C@H](CO)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475893 290391263 /nfs/dbraw/zinc/39/12/63/290391263.db2.gz QSBMYPGXWNZQNG-FZMZJTMJSA-N 1 0 278.352 2.580 20 5 CFBDRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CO1 ZINC000566914739 290426366 /nfs/dbraw/zinc/42/63/66/290426366.db2.gz YKMBDYMMSJIJMP-UGFHNGPFSA-N 1 0 290.363 2.683 20 5 CFBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CO1 ZINC000566914738 290426432 /nfs/dbraw/zinc/42/64/32/290426432.db2.gz YKMBDYMMSJIJMP-KCPJHIHWSA-N 1 0 290.363 2.683 20 5 CFBDRO COC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000086682661 293166052 /nfs/dbraw/zinc/16/60/52/293166052.db2.gz WSINBKBAYPQFPL-YPMHNXCESA-N 1 0 266.341 2.916 20 5 CFBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC000360082416 301338371 /nfs/dbraw/zinc/33/83/71/301338371.db2.gz LGWFFXVHVXFWCI-OAHLLOKOSA-N 1 0 295.358 2.819 20 5 CFBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160269314 322335888 /nfs/dbraw/zinc/33/58/88/322335888.db2.gz CTSBVJMXXWWRMW-RYUDHWBXSA-N 1 0 298.408 2.668 20 5 CFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000166261763 322386998 /nfs/dbraw/zinc/38/69/98/322386998.db2.gz ZQFFMRFGHYXOFA-BLLLJJGKSA-N 1 0 291.395 2.894 20 5 CFBDRO CC(C)CC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000571875137 322599201 /nfs/dbraw/zinc/59/92/01/322599201.db2.gz JMSNUUUHUUJICI-AWEZNQCLSA-N 1 0 280.368 2.524 20 5 CFBDRO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574292472 322688456 /nfs/dbraw/zinc/68/84/56/322688456.db2.gz OAORPJQADSIIGC-OCCSQVGLSA-N 1 0 276.336 2.739 20 5 CFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000387687281 324496504 /nfs/dbraw/zinc/49/65/04/324496504.db2.gz UKNJHHLPOMXUKM-ZDUSSCGKSA-N 1 0 293.367 2.866 20 5 CFBDRO CC(C)(CO)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577191193 324708808 /nfs/dbraw/zinc/70/88/08/324708808.db2.gz CZXZBTJAHZIBGU-CYBMUJFWSA-N 1 0 278.352 2.580 20 5 CFBDRO COC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000578205357 324827506 /nfs/dbraw/zinc/82/75/06/324827506.db2.gz OHRQHKCJBYMXQV-ZDUSSCGKSA-N 1 0 276.336 2.741 20 5 CFBDRO CC(C)OCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579859379 324987315 /nfs/dbraw/zinc/98/73/15/324987315.db2.gz QFNTYOQPZRRKAA-CQSZACIVSA-N 1 0 278.352 2.987 20 5 CFBDRO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580095201 325007352 /nfs/dbraw/zinc/00/73/52/325007352.db2.gz LQNIEOJQDHCKCS-OCCSQVGLSA-N 1 0 276.336 2.597 20 5 CFBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580963459 325078887 /nfs/dbraw/zinc/07/88/87/325078887.db2.gz RQGNVEVYWJHLJJ-RISCZKNCSA-N 1 0 292.379 2.969 20 5 CFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000583938220 325320013 /nfs/dbraw/zinc/32/00/13/325320013.db2.gz PNSJGFMRNRVRAU-KOLCDFICSA-N 1 0 272.370 2.543 20 5 CFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CCO)CCC1 ZINC000584183120 325336797 /nfs/dbraw/zinc/33/67/97/325336797.db2.gz VLWYJRXNXIFNLK-CQSZACIVSA-N 1 0 290.363 2.724 20 5 CFBDRO